smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001569873153 1085703085 /nfs/dbraw/zinc/70/30/85/1085703085.db2.gz ZKAHGJCDUAXFLC-IYBDPMFKSA-N 0 3 331.416 2.675 10 5 EFBEHN CN(CCCN(C)C(=O)C=C1CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001570194964 1086042612 /nfs/dbraw/zinc/04/26/12/1086042612.db2.gz FGLAZULFROKXOG-UHFFFAOYSA-N 0 3 331.416 2.985 10 5 EFBEHN CN(CCCN(C)C(=O)c1ccn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001570195909 1086045984 /nfs/dbraw/zinc/04/59/84/1086045984.db2.gz YVPVRAJGGGUZRZ-UHFFFAOYSA-N 0 3 344.415 2.527 10 5 EFBEHN Cn1cncc1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001648644232 1092242288 /nfs/dbraw/zinc/24/22/88/1092242288.db2.gz DKPGGMUTZSAZBM-UHFFFAOYSA-N 0 3 330.388 2.587 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C12CCC(CC1)C2 ZINC001267391257 1094470292 /nfs/dbraw/zinc/47/02/92/1094470292.db2.gz DFFGANIQQFPPRX-UHFFFAOYSA-N 0 3 331.416 2.723 10 5 EFBEHN COc1csc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001267411662 1094487626 /nfs/dbraw/zinc/48/76/26/1094487626.db2.gz AYVNNPXACKTBOE-UHFFFAOYSA-N 0 3 349.412 2.527 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1C=CC=CC=C1 ZINC001268451441 1096632358 /nfs/dbraw/zinc/63/23/58/1096632358.db2.gz KVKJPNUVEOWHAM-UHFFFAOYSA-N 0 3 341.411 2.831 10 5 EFBEHN C[C@@H]1CCCN(C(C)(C)CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC001611908495 1099038252 /nfs/dbraw/zinc/03/82/52/1099038252.db2.gz HXCCQXVCPNHSHC-LLVKDONJSA-N 0 3 326.828 2.988 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(F)(F)F ZINC001481305847 1099192222 /nfs/dbraw/zinc/19/22/22/1099192222.db2.gz RTSTWCKFIPCKBD-UHFFFAOYSA-N 0 3 347.337 2.731 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1(C(F)F)CCC1 ZINC001481270667 1099362971 /nfs/dbraw/zinc/36/29/71/1099362971.db2.gz AYECOIANONTGQA-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN Cc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c(CN(C)C)c1 ZINC001629290667 1100191593 /nfs/dbraw/zinc/19/15/93/1100191593.db2.gz PLLUIWQQYSDNCD-UHFFFAOYSA-N 0 3 337.767 2.594 10 5 EFBEHN CC(C)CN1CCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001630560254 1100317718 /nfs/dbraw/zinc/31/77/18/1100317718.db2.gz JVTDHJPXCMKRCS-OAHLLOKOSA-N 0 3 339.823 2.985 10 5 EFBEHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001634684846 1100624360 /nfs/dbraw/zinc/62/43/60/1100624360.db2.gz CMDKQYBLUULLEN-SUMWQHHRSA-N 0 3 342.399 2.563 10 5 EFBEHN CCC(CC)Nc1ccncc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001636678449 1100732868 /nfs/dbraw/zinc/73/28/68/1100732868.db2.gz NWBOROGLDZZAAL-UHFFFAOYSA-N 0 3 343.387 2.847 10 5 EFBEHN CCN1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC001639266955 1100931314 /nfs/dbraw/zinc/93/13/14/1100931314.db2.gz RCFMIRXHKBGWQR-LBPRGKRZSA-N 0 3 325.796 2.708 10 5 EFBEHN COCCN1CC[C@@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001639489451 1100955510 /nfs/dbraw/zinc/95/55/10/1100955510.db2.gz PUPUFBOINZJTMJ-LLVKDONJSA-N 0 3 333.310 2.746 10 5 EFBEHN O=[N+]([O-])c1cccc2ncnc(N3CCN[C@@H](c4ccccc4)C3)c21 ZINC001640439037 1101047179 /nfs/dbraw/zinc/04/71/79/1101047179.db2.gz YLZYMOOELMMNNB-OAHLLOKOSA-N 0 3 335.367 2.689 10 5 EFBEHN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCCN(CC)C2)cc1C ZINC001643240397 1101283610 /nfs/dbraw/zinc/28/36/10/1101283610.db2.gz DMJWYGPUWKBESP-ZDUSSCGKSA-N 0 3 335.404 2.976 10 5 EFBEHN Cc1c(NC(=O)CCN2Cc3c[nH]nc3[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001654466427 1101721051 /nfs/dbraw/zinc/72/10/51/1101721051.db2.gz YYUPOHOWRFCMLH-LLVKDONJSA-N 0 3 343.387 2.574 10 5 EFBEHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001655220222 1101795787 /nfs/dbraw/zinc/79/57/87/1101795787.db2.gz ANACFDDPVWLHKM-BONVTDFDSA-N 0 3 343.339 2.826 10 5 EFBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)C1CC2(CC2)C1 ZINC001673209538 1101882336 /nfs/dbraw/zinc/88/23/36/1101882336.db2.gz CXHYYPOEYOCQNX-UHFFFAOYSA-N 0 3 343.427 2.914 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccoc1Cl ZINC001266686902 1101895951 /nfs/dbraw/zinc/89/59/51/1101895951.db2.gz TYRAXMZJYJQZLU-UHFFFAOYSA-N 0 3 337.763 2.703 10 5 EFBEHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001655965213 1101918177 /nfs/dbraw/zinc/91/81/77/1101918177.db2.gz KLRVHEFLCGPJHK-CQSZACIVSA-N 0 3 349.822 2.924 10 5 EFBEHN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)CN(C)C ZINC000713985536 1102122182 /nfs/dbraw/zinc/12/21/82/1102122182.db2.gz WQSHPTRRNOKRBH-QMMMGPOBSA-N 0 3 345.193 2.889 10 5 EFBEHN CC[C@H](c1ccccc1)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001657424954 1102381557 /nfs/dbraw/zinc/38/15/57/1102381557.db2.gz WDNOUSFMPNGKHG-GOSISDBHSA-N 0 3 343.431 2.560 10 5 EFBEHN C[C@@H](NCC1(C2(O)CCC2)CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001660106546 1102603146 /nfs/dbraw/zinc/60/31/46/1102603146.db2.gz ICLGWOSCDRXHRL-CYBMUJFWSA-N 0 3 347.415 2.597 10 5 EFBEHN Cc1cnccc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001660125352 1102607917 /nfs/dbraw/zinc/60/79/17/1102607917.db2.gz CEOLPOPECAXGNU-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN CCC1(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001661462675 1103271729 /nfs/dbraw/zinc/27/17/29/1103271729.db2.gz AKHZNFYNVBITFK-SHTZXODSSA-N 0 3 331.416 2.912 10 5 EFBEHN Cc1nc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)sc1C ZINC001664377992 1104370876 /nfs/dbraw/zinc/37/08/76/1104370876.db2.gz PPXGMQINCSEZJA-UHFFFAOYSA-N 0 3 348.428 2.530 10 5 EFBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)C1(CCF)CC1 ZINC001673193498 1105982620 /nfs/dbraw/zinc/98/26/20/1105982620.db2.gz CCONQYPKYILBGP-UHFFFAOYSA-N 0 3 349.406 2.863 10 5 EFBEHN Cc1sc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055407473 214321119 /nfs/dbraw/zinc/32/11/19/214321119.db2.gz CVZMWEPEOKKGOU-WDEREUQCSA-N 0 3 325.434 2.815 10 5 EFBEHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000246717755 283093556 /nfs/dbraw/zinc/09/35/56/283093556.db2.gz XJDIDEVFIJGYAJ-SMDDNHRTSA-N 0 3 337.807 2.805 10 5 EFBEHN COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)NCC2 ZINC000022405275 202084330 /nfs/dbraw/zinc/08/43/30/202084330.db2.gz WMWABYMCPRZGDX-INIZCTEOSA-N 0 3 344.367 2.878 10 5 EFBEHN COc1ccccc1[C@H]1CNCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261785512 240325155 /nfs/dbraw/zinc/32/51/55/240325155.db2.gz PTDVZLINQHGMED-QGZVFWFLSA-N 0 3 327.384 2.750 10 5 EFBEHN CNc1ccc(CNCC[S@](=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000069653344 203031850 /nfs/dbraw/zinc/03/18/50/203031850.db2.gz QLQCNJCRNIXFHA-HSZRJFAPSA-N 0 3 333.413 2.534 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000071885763 203137115 /nfs/dbraw/zinc/13/71/15/203137115.db2.gz FWKIKZFDKAQJMF-UHFFFAOYSA-N 0 3 342.399 2.502 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCC[C@H](CO)C2)c1 ZINC000414586842 244243145 /nfs/dbraw/zinc/24/31/45/244243145.db2.gz UYFFJWJUFSUXBK-JQWIXIFHSA-N 0 3 330.331 2.837 10 5 EFBEHN CN(C)CCNc1ncccc1CNc1ccc([N+](=O)[O-])cc1F ZINC000075146947 203308435 /nfs/dbraw/zinc/30/84/35/203308435.db2.gz YOTBVFGRXGBWFA-UHFFFAOYSA-N 0 3 333.367 2.715 10 5 EFBEHN O=[N+]([O-])c1ccc(CCN2CCC(Nc3cccnn3)CC2)cc1 ZINC000105805668 204163296 /nfs/dbraw/zinc/16/32/96/204163296.db2.gz YXQQOGFDRQZCEI-UHFFFAOYSA-N 0 3 327.388 2.504 10 5 EFBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000247363443 205284183 /nfs/dbraw/zinc/28/41/83/205284183.db2.gz OSESNFCTVOMORX-IINYFYTJSA-N 0 3 325.796 2.707 10 5 EFBEHN CC(C)N1C[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155478040 206009592 /nfs/dbraw/zinc/00/95/92/206009592.db2.gz DIAILHNCTWESFS-GWCFXTLKSA-N 0 3 325.796 2.707 10 5 EFBEHN CC[C@H](NC(=O)N(C)C[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000422194307 246294413 /nfs/dbraw/zinc/29/44/13/246294413.db2.gz YQHMWZWZROQSBT-CVEARBPZSA-N 0 3 334.420 2.782 10 5 EFBEHN CO[C@H]1C[C@H]2C[C@H](NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]2C1 ZINC000425332201 247046548 /nfs/dbraw/zinc/04/65/48/247046548.db2.gz CNXMEAGFTSYPML-DIXOFPBHSA-N 0 3 330.388 2.764 10 5 EFBEHN O=[N+]([O-])c1ccccc1CN[C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425541923 247126974 /nfs/dbraw/zinc/12/69/74/247126974.db2.gz NBPPQJUEYDYRIZ-QGZVFWFLSA-N 0 3 334.416 2.642 10 5 EFBEHN Cc1ccc([C@@H]2C[C@H](C)CCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000266515850 248340510 /nfs/dbraw/zinc/34/05/10/248340510.db2.gz AZSBLVYDBJHZPL-WQVCFCJDSA-N 0 3 348.403 2.527 10 5 EFBEHN COc1cc(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000449494181 251044066 /nfs/dbraw/zinc/04/40/66/251044066.db2.gz MXTRXULWHCHTGZ-WBMJQRKESA-N 0 3 338.404 2.850 10 5 EFBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000175438674 207128336 /nfs/dbraw/zinc/12/83/36/207128336.db2.gz ZBSBQTYCSPIYBE-DGCLKSJQSA-N 0 3 337.807 2.947 10 5 EFBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000267629997 251207327 /nfs/dbraw/zinc/20/73/27/251207327.db2.gz GKUVEFSAVSOEPJ-IAGOWNOFSA-N 0 3 348.378 2.519 10 5 EFBEHN COCCN1CCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450310608 251340253 /nfs/dbraw/zinc/34/02/53/251340253.db2.gz XNNDILFJBLGYMN-ZDUSSCGKSA-N 0 3 330.388 2.666 10 5 EFBEHN CC[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176699041 207252015 /nfs/dbraw/zinc/25/20/15/207252015.db2.gz XYGVWBQBZAUJCF-DLBZAZTESA-N 0 3 344.415 2.702 10 5 EFBEHN O=C(c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177313603 207319751 /nfs/dbraw/zinc/31/97/51/207319751.db2.gz GFBJPBFGFGUZDN-JJRVBVJISA-N 0 3 329.400 2.541 10 5 EFBEHN O=[N+]([O-])c1cc(Br)ccc1N1CCN2CCC[C@@H]2C1 ZINC000112209032 285083263 /nfs/dbraw/zinc/08/32/63/285083263.db2.gz NUWMFULANRMEBW-LLVKDONJSA-N 0 3 326.194 2.642 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](NCCCOCCO)c2ccccc2)c1 ZINC000180246485 285157038 /nfs/dbraw/zinc/15/70/38/285157038.db2.gz GYJCHAWXJFWFSO-SFHVURJKSA-N 0 3 330.384 2.673 10 5 EFBEHN CO[C@@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000191717644 533355477 /nfs/dbraw/zinc/35/54/77/533355477.db2.gz PJIVFLOVHCGARQ-GUBZILKMSA-N 0 3 329.784 2.588 10 5 EFBEHN COc1cc(CNCC2CCC(OC)CC2)c([N+](=O)[O-])cc1OC ZINC000344618982 142050560 /nfs/dbraw/zinc/05/05/60/142050560.db2.gz HQVLFDPIHXVLCN-UHFFFAOYSA-N 0 3 338.404 2.907 10 5 EFBEHN C[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000349692525 142348470 /nfs/dbraw/zinc/34/84/70/142348470.db2.gz JTBXTZQHLNZAGD-BLLLJJGKSA-N 0 3 332.404 2.534 10 5 EFBEHN COCC[C@H](COC)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353060380 146388167 /nfs/dbraw/zinc/38/81/67/146388167.db2.gz JTZIZIBEUQBNLX-CYBMUJFWSA-N 0 3 334.372 2.996 10 5 EFBEHN COC(=O)COc1ccc(CN2C[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355730846 147047663 /nfs/dbraw/zinc/04/76/63/147047663.db2.gz PKQIXOOWHFEIOA-STQMWFEESA-N 0 3 336.388 2.767 10 5 EFBEHN Cc1c(CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000359545298 148117899 /nfs/dbraw/zinc/11/78/99/148117899.db2.gz RWWPAOYXOTXHMF-SWLSCSKDSA-N 0 3 334.420 2.527 10 5 EFBEHN CC[C@@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccco1 ZINC000359570120 148126488 /nfs/dbraw/zinc/12/64/88/148126488.db2.gz ZJGSUERVGGBZTO-IAQYHMDHSA-N 0 3 346.387 2.750 10 5 EFBEHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccc(F)c(F)c2)cc1 ZINC000359819538 148198255 /nfs/dbraw/zinc/19/82/55/148198255.db2.gz RTUGIXKUSBRBBJ-CQSZACIVSA-N 0 3 336.338 2.814 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000368481885 150129616 /nfs/dbraw/zinc/12/96/16/150129616.db2.gz KAIAXLTWXWTKDC-HNNXBMFYSA-N 0 3 334.416 2.921 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C(C)C)CC1 ZINC000273346959 266485476 /nfs/dbraw/zinc/48/54/76/266485476.db2.gz XIYDDHKRQIHSEJ-FYWRMAATSA-N 0 3 331.416 2.941 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000276546059 267010309 /nfs/dbraw/zinc/01/03/09/267010309.db2.gz GTYUEHWEUZPIHA-SNVBAGLBSA-N 0 3 325.796 2.769 10 5 EFBEHN Cc1cc(N2CCC[C@@H](N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000277514579 267189295 /nfs/dbraw/zinc/18/92/95/267189295.db2.gz DXSDSDYZKWBKKP-GDBMZVCRSA-N 0 3 343.431 2.956 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000277677384 267232142 /nfs/dbraw/zinc/23/21/42/267232142.db2.gz YCQALBFPVABVBA-OAHLLOKOSA-N 0 3 347.415 2.694 10 5 EFBEHN CC(C)(C)OC(=O)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000178507958 273040455 /nfs/dbraw/zinc/04/04/55/273040455.db2.gz BNWKPBRXNJURHI-ZDUSSCGKSA-N 0 3 336.388 2.637 10 5 EFBEHN COC[C@@H](O)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181039137 273043759 /nfs/dbraw/zinc/04/37/59/273043759.db2.gz RKLDRSKVUVNGJT-ZWKOTPCHSA-N 0 3 330.384 2.671 10 5 EFBEHN COC[C@H](O)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181039120 273043802 /nfs/dbraw/zinc/04/38/02/273043802.db2.gz RKLDRSKVUVNGJT-QZTJIDSGSA-N 0 3 330.384 2.671 10 5 EFBEHN CCN1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000194319369 273068455 /nfs/dbraw/zinc/06/84/55/273068455.db2.gz YYIRAUZEWNAUET-SNVBAGLBSA-N 0 3 326.784 2.854 10 5 EFBEHN O=C1C[C@]2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CN1 ZINC000279523611 273224244 /nfs/dbraw/zinc/22/42/44/273224244.db2.gz YOBVOHGSRNUJKD-GOSISDBHSA-N 0 3 341.367 2.567 10 5 EFBEHN Cc1c[n+]([O-])c(NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000281031763 273393507 /nfs/dbraw/zinc/39/35/07/273393507.db2.gz UGTNMISKFOEJBL-UHFFFAOYSA-N 0 3 342.399 2.613 10 5 EFBEHN CCCN(CCN1CCCC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286174610 274147445 /nfs/dbraw/zinc/14/74/45/274147445.db2.gz ABZBZOVAXICPFU-UHFFFAOYSA-N 0 3 345.403 2.556 10 5 EFBEHN O=[N+]([O-])c1ccc(CO)cc1N1CCCN(Cc2ccccc2)CC1 ZINC000097046785 275035605 /nfs/dbraw/zinc/03/56/05/275035605.db2.gz LHGUMWRQERGBPN-UHFFFAOYSA-N 0 3 341.411 2.799 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C2CC2)CC1 ZINC000185689375 275399741 /nfs/dbraw/zinc/39/97/41/275399741.db2.gz NFICOYLFKKQGPE-BUHFOSPRSA-N 0 3 329.400 2.695 10 5 EFBEHN C[C@@H](N[C@H]1CCCN(c2cccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178222518 278381920 /nfs/dbraw/zinc/38/19/20/278381920.db2.gz TZGWFMHOYKTARK-HIFRSBDPSA-N 0 3 327.388 2.704 10 5 EFBEHN CN(C)C[C@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000061655919 289211826 /nfs/dbraw/zinc/21/18/26/289211826.db2.gz RSLLOOOJVLHLAG-LLVKDONJSA-N 0 3 328.210 2.888 10 5 EFBEHN COc1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000133859681 293270058 /nfs/dbraw/zinc/27/00/58/293270058.db2.gz XYPRFWLNBVCNSU-HNNXBMFYSA-N 0 3 343.383 2.636 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000294351715 295152128 /nfs/dbraw/zinc/15/21/28/295152128.db2.gz YMJGCXCMNZSEOV-LBKOFNPBSA-N 0 3 343.427 2.942 10 5 EFBEHN Cc1sc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000107261948 302879734 /nfs/dbraw/zinc/87/97/34/302879734.db2.gz PHRRNXNURUEAEO-UHFFFAOYSA-N 0 3 348.428 2.564 10 5 EFBEHN COC[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000397248202 311959485 /nfs/dbraw/zinc/95/94/85/311959485.db2.gz ODXUOHLKZGNOOM-LBPRGKRZSA-N 0 3 329.194 2.872 10 5 EFBEHN C[C@@H]1CCCCN1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000298744575 311019560 /nfs/dbraw/zinc/01/95/60/311019560.db2.gz YTSTUODMSWGWJE-GFCCVEGCSA-N 0 3 332.404 2.766 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298754224 311020805 /nfs/dbraw/zinc/02/08/05/311020805.db2.gz PJNUVPRXQFRVPG-GFCCVEGCSA-N 0 3 331.372 2.945 10 5 EFBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000298960893 311037559 /nfs/dbraw/zinc/03/75/59/311037559.db2.gz LBYBXIPVEXHTHW-CQSZACIVSA-N 0 3 333.413 2.559 10 5 EFBEHN COc1ccccc1[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299378576 311078650 /nfs/dbraw/zinc/07/86/50/311078650.db2.gz GHCSUGMVUXGNNT-ZFWWWQNUSA-N 0 3 346.383 2.694 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN(C)Cc1ccccc1 ZINC000299673697 311109868 /nfs/dbraw/zinc/10/98/68/311109868.db2.gz TXMVLPNRYOPESW-UHFFFAOYSA-N 0 3 327.384 2.765 10 5 EFBEHN COC(=O)c1cc(NCCN2CCCC[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000301685700 311152257 /nfs/dbraw/zinc/15/22/57/311152257.db2.gz LMTZANZZBMQGBL-CYBMUJFWSA-N 0 3 335.404 2.976 10 5 EFBEHN COC(=O)c1cc(N[C@H](C)CN2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000301713807 311154303 /nfs/dbraw/zinc/15/43/03/311154303.db2.gz ZELAGBMTNYEQOG-CYBMUJFWSA-N 0 3 335.404 2.976 10 5 EFBEHN C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)N(C)Cc1ccccc1 ZINC000302005954 311171767 /nfs/dbraw/zinc/17/17/67/311171767.db2.gz TWVYDOOWWVPZBB-CYBMUJFWSA-N 0 3 340.387 2.570 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CNCCC2(F)F)o1 ZINC000415003893 312075561 /nfs/dbraw/zinc/07/55/61/312075561.db2.gz PNDVTLJYCBAVEE-HNNXBMFYSA-N 0 3 337.326 2.942 10 5 EFBEHN CN(C)C(=O)c1ccccc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000417909076 312293682 /nfs/dbraw/zinc/29/36/82/312293682.db2.gz HOYUHNVRAIZIHD-UHFFFAOYSA-N 0 3 327.384 2.629 10 5 EFBEHN CN(C)C(=O)c1ccccc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000417947288 312300264 /nfs/dbraw/zinc/30/02/64/312300264.db2.gz GFFOBPQIMYEPKT-UHFFFAOYSA-N 0 3 327.384 2.629 10 5 EFBEHN CCOc1ccc([C@@H](C)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000423481890 312422221 /nfs/dbraw/zinc/42/22/21/312422221.db2.gz OQUSLWWJEVBTMY-QMTHXVAHSA-N 0 3 329.347 2.641 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000424009391 312495417 /nfs/dbraw/zinc/49/54/17/312495417.db2.gz JBIRHMSLOIZDBH-DLBZAZTESA-N 0 3 343.358 2.609 10 5 EFBEHN Cc1nn(C)c(Nc2cccc3c2OCC[C@H]3N(C)C)c1[N+](=O)[O-] ZINC000432940715 312587570 /nfs/dbraw/zinc/58/75/70/312587570.db2.gz WGCGQZMIWPFMKI-CYBMUJFWSA-N 0 3 331.376 2.766 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC3CCC2CC3)cc1 ZINC000433058325 312593858 /nfs/dbraw/zinc/59/38/58/312593858.db2.gz ALGVQTUGQQPUCM-ZUEPYMLJSA-N 0 3 338.429 2.537 10 5 EFBEHN CCC[C@@H](C)[C@@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516186290 315660965 /nfs/dbraw/zinc/66/09/65/315660965.db2.gz ZMGMNNUZJBKUQR-QMTHXVAHSA-N 0 3 343.811 2.573 10 5 EFBEHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531884301 317327508 /nfs/dbraw/zinc/32/75/08/317327508.db2.gz IVVKPSYFNBZGGY-UHFFFAOYSA-N 0 3 334.420 2.574 10 5 EFBEHN CS[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000548691773 318133013 /nfs/dbraw/zinc/13/30/13/318133013.db2.gz PMFUIMLTVVWWCL-KGLIPLIRSA-N 0 3 336.461 2.623 10 5 EFBEHN CSc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000556856692 318415713 /nfs/dbraw/zinc/41/57/13/318415713.db2.gz AWZQGEYGBCKKQG-OAHLLOKOSA-N 0 3 348.424 2.846 10 5 EFBEHN CSc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000566642724 319097571 /nfs/dbraw/zinc/09/75/71/319097571.db2.gz YVSNFWDFMHDZRL-AWEZNQCLSA-N 0 3 348.424 2.846 10 5 EFBEHN CN(C)[C@]1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCSC1 ZINC000566675255 319101065 /nfs/dbraw/zinc/10/10/65/319101065.db2.gz ISILKGKCAMRNIA-INIZCTEOSA-N 0 3 336.461 2.718 10 5 EFBEHN Cc1ccc([O-])c(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000566760466 319108238 /nfs/dbraw/zinc/10/82/38/319108238.db2.gz OOHJSKGNOMQDPH-UHFFFAOYSA-N 0 3 326.356 2.817 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000568636075 319304136 /nfs/dbraw/zinc/30/41/36/319304136.db2.gz YLFATZXILPVEDE-IEVHZMJVSA-N 0 3 336.432 2.746 10 5 EFBEHN C[C@H](C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184199752 323358641 /nfs/dbraw/zinc/35/86/41/323358641.db2.gz IUUYYJKWGQFDOS-RWMBFGLXSA-N 0 3 337.395 2.779 10 5 EFBEHN Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2CN)cc1[N+](=O)[O-] ZINC000580313561 324139724 /nfs/dbraw/zinc/13/97/24/324139724.db2.gz KKTYEIXPWHNREY-QGZVFWFLSA-N 0 3 325.368 2.602 10 5 EFBEHN CCn1cnnc1[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000161265308 473221987 /nfs/dbraw/zinc/22/19/87/473221987.db2.gz JIWGXGRQFRLGGM-OAHLLOKOSA-N 0 3 329.404 2.894 10 5 EFBEHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000112076022 473241436 /nfs/dbraw/zinc/24/14/36/473241436.db2.gz KMIRUIVPGRJZJI-HNNXBMFYSA-N 0 3 346.431 2.727 10 5 EFBEHN CCN1CCC[C@@H](Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000112076085 473241729 /nfs/dbraw/zinc/24/17/29/473241729.db2.gz WGMRSUMWKQKDGC-CQSZACIVSA-N 0 3 334.420 2.629 10 5 EFBEHN CC[S@@](=O)[C@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000095986290 473243809 /nfs/dbraw/zinc/24/38/09/473243809.db2.gz HMZRGKHIUYOPBT-QIPPXTIRSA-N 0 3 340.445 2.773 10 5 EFBEHN Cc1cc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)ncc1[N+](=O)[O-] ZINC000190449973 473279292 /nfs/dbraw/zinc/27/92/92/473279292.db2.gz UCXHTYWPNDGFQD-INIZCTEOSA-N 0 3 341.415 2.652 10 5 EFBEHN CS(=O)(=O)CCCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000185210971 473364078 /nfs/dbraw/zinc/36/40/78/473364078.db2.gz ZWODKOYZLOQAFG-UHFFFAOYSA-N 0 3 334.825 2.553 10 5 EFBEHN CSc1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113232378 473371589 /nfs/dbraw/zinc/37/15/89/473371589.db2.gz NHQPFXCYQGTKGZ-WCQYABFASA-N 0 3 335.429 2.625 10 5 EFBEHN CCN1CCC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000171430800 473385663 /nfs/dbraw/zinc/38/56/63/473385663.db2.gz YTJBLEODUUXDAR-INIZCTEOSA-N 0 3 348.447 2.999 10 5 EFBEHN C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595479643 478810645 /nfs/dbraw/zinc/81/06/45/478810645.db2.gz GGQZZLHYCJVADB-IUODEOHRSA-N 0 3 334.420 2.828 10 5 EFBEHN CN1CCC[C@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000067447138 472034891 /nfs/dbraw/zinc/03/48/91/472034891.db2.gz YCBJANBVJPSOBJ-CQSZACIVSA-N 0 3 349.434 2.753 10 5 EFBEHN COc1cc(CN[C@H](CO)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000613389450 479984779 /nfs/dbraw/zinc/98/47/79/479984779.db2.gz MSQXJWRIUYVIGU-XJKSGUPXSA-N 0 3 330.384 2.858 10 5 EFBEHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H](Cn2cncn2)C1 ZINC000128468932 472455226 /nfs/dbraw/zinc/45/52/26/472455226.db2.gz HOKCJENTJKRIPC-NFBGWVBBSA-N 0 3 327.388 2.612 10 5 EFBEHN Cc1sc(C(=O)NCc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000033089702 472495982 /nfs/dbraw/zinc/49/59/82/472495982.db2.gz GZXYNJNIASQCPK-UHFFFAOYSA-N 0 3 333.413 2.956 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102637826 472585609 /nfs/dbraw/zinc/58/56/09/472585609.db2.gz JPSLZLVVYKNWSN-LBPRGKRZSA-N 0 3 332.404 2.782 10 5 EFBEHN CN(Cc1ccc(F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046704039 472587421 /nfs/dbraw/zinc/58/74/21/472587421.db2.gz JEKDSWPRWYNBCJ-INIZCTEOSA-N 0 3 334.347 2.606 10 5 EFBEHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1cccc(F)c1 ZINC000090551473 472632818 /nfs/dbraw/zinc/63/28/18/472632818.db2.gz BXTLMBXDNJNSJL-UGSOOPFHSA-N 0 3 345.374 2.979 10 5 EFBEHN CC(C)CN(CCN(C)C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104529882 472675833 /nfs/dbraw/zinc/67/58/33/472675833.db2.gz AYHQLMQKGLAXQJ-UHFFFAOYSA-N 0 3 332.404 2.736 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134607098 472937222 /nfs/dbraw/zinc/93/72/22/472937222.db2.gz LFSRDTVAVMFGEW-LLVKDONJSA-N 0 3 325.796 2.852 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134685490 472952679 /nfs/dbraw/zinc/95/26/79/472952679.db2.gz OJFUDLBLAQQPEY-ZDUSSCGKSA-N 0 3 327.812 2.954 10 5 EFBEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080012926 472961091 /nfs/dbraw/zinc/96/10/91/472961091.db2.gz BITFXYOAUFUVQO-DZGCQCFKSA-N 0 3 336.436 2.931 10 5 EFBEHN O=[N+]([O-])c1cccnc1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000065590895 472983850 /nfs/dbraw/zinc/98/38/50/472983850.db2.gz SHFDPZSXNDQVAR-UHFFFAOYSA-N 0 3 342.399 2.938 10 5 EFBEHN O=[N+]([O-])c1ccc(SC[C@@H](O)CN2CCc3ccccc3C2)nc1 ZINC000159190400 473007270 /nfs/dbraw/zinc/00/72/70/473007270.db2.gz SVVIBPNIUZGWJC-INIZCTEOSA-N 0 3 345.424 2.501 10 5 EFBEHN C[C@H]1CC(C)(C)C[C@@](CO)(NCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000080902440 473098178 /nfs/dbraw/zinc/09/81/78/473098178.db2.gz UJWNXXPXGVGMND-UGSOOPFHSA-N 0 3 349.431 2.700 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123151800 473104314 /nfs/dbraw/zinc/10/43/14/473104314.db2.gz BUXVFZHZXSBZBH-VXGBXAGGSA-N 0 3 336.392 2.550 10 5 EFBEHN COCCN1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000080948228 473108865 /nfs/dbraw/zinc/10/88/65/473108865.db2.gz VEPBOZYBNPNTRC-UHFFFAOYSA-N 0 3 347.337 2.772 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1C ZINC000123464269 473143151 /nfs/dbraw/zinc/14/31/51/473143151.db2.gz APKLWHRINAJVCI-GXFFZTMASA-N 0 3 325.796 2.803 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000123852874 473192397 /nfs/dbraw/zinc/19/23/97/473192397.db2.gz LKIUJNGLRQGUNA-VXGBXAGGSA-N 0 3 337.445 2.871 10 5 EFBEHN CCc1nccn1[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000137050245 473192630 /nfs/dbraw/zinc/19/26/30/473192630.db2.gz XQQGMZHNAXQTKC-IRXDYDNUSA-N 0 3 344.415 2.724 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1CN(C)C ZINC000123908763 473196498 /nfs/dbraw/zinc/19/64/98/473196498.db2.gz GXAMGJQTYLDLJG-UHFFFAOYSA-N 0 3 327.384 2.895 10 5 EFBEHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(CN(C)C)c1 ZINC000113912519 473422945 /nfs/dbraw/zinc/42/29/45/473422945.db2.gz KNWKXEWRGJPTJZ-UHFFFAOYSA-N 0 3 328.372 2.921 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000127602172 473630871 /nfs/dbraw/zinc/63/08/71/473630871.db2.gz QZJWRLYIOSVLNR-WMLDXEAASA-N 0 3 348.447 2.728 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])CCN1C ZINC000127663936 473638635 /nfs/dbraw/zinc/63/86/35/473638635.db2.gz HEQRWHOJUWUJIL-OLZOCXBDSA-N 0 3 337.445 2.628 10 5 EFBEHN CSc1cccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000186571281 473692236 /nfs/dbraw/zinc/69/22/36/473692236.db2.gz OLJDTQSLYIEVGM-NWDGAFQWSA-N 0 3 337.445 2.871 10 5 EFBEHN CCc1nc2n(n1)C[C@H](N[C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192983979 473755951 /nfs/dbraw/zinc/75/59/51/473755951.db2.gz HUHIMDVDZKNTAN-CZUORRHYSA-N 0 3 341.415 2.731 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000246102727 473782809 /nfs/dbraw/zinc/78/28/09/473782809.db2.gz JIVZOBBLRKUKOZ-UKRRQHHQSA-N 0 3 331.416 2.829 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000246283061 473815707 /nfs/dbraw/zinc/81/57/07/473815707.db2.gz NWEOYSZXZJXPEG-UKRRQHHQSA-N 0 3 333.413 2.964 10 5 EFBEHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246351129 473836190 /nfs/dbraw/zinc/83/61/90/473836190.db2.gz WBLDEQAKNZKCRJ-IAGOWNOFSA-N 0 3 344.415 2.816 10 5 EFBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246512965 473886871 /nfs/dbraw/zinc/88/68/71/473886871.db2.gz GTZBFYKVRRLKSY-OLZOCXBDSA-N 0 3 337.807 2.947 10 5 EFBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000246676618 473932365 /nfs/dbraw/zinc/93/23/65/473932365.db2.gz ZBSBQTYCSPIYBE-AAEUAGOBSA-N 0 3 337.807 2.947 10 5 EFBEHN COc1ccc(CN2C[C@H](CO)[C@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000188060644 473967207 /nfs/dbraw/zinc/96/72/07/473967207.db2.gz KEHKAMLYVUJTIL-CABCVRRESA-N 0 3 348.424 2.873 10 5 EFBEHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000288943638 474097587 /nfs/dbraw/zinc/09/75/87/474097587.db2.gz RTDJMNTWHOWLTG-MRXNPFEDSA-N 0 3 343.431 2.830 10 5 EFBEHN O=C(NCc1ccc2c(c1)CNC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000188726738 474176828 /nfs/dbraw/zinc/17/68/28/474176828.db2.gz GWOFSXUCNBJERP-UHFFFAOYSA-N 0 3 331.759 2.781 10 5 EFBEHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(Br)c1 ZINC000182569291 474208806 /nfs/dbraw/zinc/20/88/06/474208806.db2.gz MYNFLWNNPHPMNA-SNVBAGLBSA-N 0 3 339.193 2.905 10 5 EFBEHN CSc1cccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-] ZINC000188922958 474236034 /nfs/dbraw/zinc/23/60/34/474236034.db2.gz LZNBQBRWBRGJMM-VXGBXAGGSA-N 0 3 335.429 2.625 10 5 EFBEHN C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000289413779 474260438 /nfs/dbraw/zinc/26/04/38/474260438.db2.gz AMHQBLUIMOGWTJ-SJCJKPOMSA-N 0 3 337.395 2.985 10 5 EFBEHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)s1 ZINC000183022459 474308080 /nfs/dbraw/zinc/30/80/80/474308080.db2.gz QXMIKNQWHDNEQZ-SECBINFHSA-N 0 3 327.793 2.822 10 5 EFBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000289659411 474364396 /nfs/dbraw/zinc/36/43/96/474364396.db2.gz UGHFKTJXCMFBNU-KRWDZBQOSA-N 0 3 337.395 2.766 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000248598163 474372350 /nfs/dbraw/zinc/37/23/50/474372350.db2.gz INBGFUDPARHABL-GPMSIDNRSA-N 0 3 347.459 2.977 10 5 EFBEHN CSc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-] ZINC000249131824 474534787 /nfs/dbraw/zinc/53/47/87/474534787.db2.gz LZNBQBRWBRGJMM-RYUDHWBXSA-N 0 3 335.429 2.625 10 5 EFBEHN COc1ccc(CN[C@@H](C)[C@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000267154102 474603784 /nfs/dbraw/zinc/60/37/84/474603784.db2.gz DCASNMLVAQUDOQ-GTNSWQLSSA-N 0 3 334.347 2.954 10 5 EFBEHN CN1CCC(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000291590094 474626144 /nfs/dbraw/zinc/62/61/44/474626144.db2.gz DJPGGKDDOXRWAL-UHFFFAOYSA-N 0 3 331.416 2.818 10 5 EFBEHN CO[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1C ZINC000251783697 474646448 /nfs/dbraw/zinc/64/64/48/474646448.db2.gz LMVOSVWAAZUQKY-CJNGLKHVSA-N 0 3 335.404 2.589 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000273456504 474907856 /nfs/dbraw/zinc/90/78/56/474907856.db2.gz UXGFGSCZAPMPPL-PLTUTCJHSA-N 0 3 329.400 2.597 10 5 EFBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000341062850 474933424 /nfs/dbraw/zinc/93/34/24/474933424.db2.gz QHACWVISJYAAKD-GJZGRUSLSA-N 0 3 349.431 2.743 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000261598780 474988587 /nfs/dbraw/zinc/98/85/87/474988587.db2.gz ANGYXYXFAWFQRF-QGZVFWFLSA-N 0 3 325.368 2.520 10 5 EFBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341124718 475001338 /nfs/dbraw/zinc/00/13/38/475001338.db2.gz OVBVJHMXSSAXPD-GJZGRUSLSA-N 0 3 348.447 2.699 10 5 EFBEHN COc1ccc(CC(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000609346809 480151441 /nfs/dbraw/zinc/15/14/41/480151441.db2.gz PMHPPEVQBPDFTC-ZIAGYGMSSA-N 0 3 349.431 2.525 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1CN(C)C ZINC000361201138 475265947 /nfs/dbraw/zinc/26/59/47/475265947.db2.gz NHJPENXUCDIYJK-NVXWUHKLSA-N 0 3 333.432 2.716 10 5 EFBEHN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(C2CC2)C1 ZINC000358126310 475420578 /nfs/dbraw/zinc/42/05/78/475420578.db2.gz GMAYWVLAGDBGPQ-AWEZNQCLSA-N 0 3 349.406 2.707 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(Cn2cncn2)cc1 ZINC000348188264 475470178 /nfs/dbraw/zinc/47/01/78/475470178.db2.gz RPFUTXQWQCOGKC-UHFFFAOYSA-N 0 3 337.383 2.833 10 5 EFBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340087687 475748135 /nfs/dbraw/zinc/74/81/35/475748135.db2.gz BRLCGZNTXRPMFT-HUUCEWRRSA-N 0 3 348.447 2.699 10 5 EFBEHN COc1ccc(-c2ccc(CNCCc3cn[nH]c3)o2)c([N+](=O)[O-])c1 ZINC000353183001 475751352 /nfs/dbraw/zinc/75/13/52/475751352.db2.gz ADBJODRPNCNFDH-UHFFFAOYSA-N 0 3 342.355 2.919 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2nc(CNCCc3cn[nH]c3)cs2)c1 ZINC000353184836 475751537 /nfs/dbraw/zinc/75/15/37/475751537.db2.gz CAGSNYFDGRKLIN-UHFFFAOYSA-N 0 3 329.385 2.774 10 5 EFBEHN Cc1c(CNC(=O)NCCN2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000358549250 475763567 /nfs/dbraw/zinc/76/35/67/475763567.db2.gz YIWWFKSYOUOHIT-CYBMUJFWSA-N 0 3 334.420 2.577 10 5 EFBEHN COC(=O)COc1ccc(CNCCC2=CCCC2)cc1[N+](=O)[O-] ZINC000353232858 475789665 /nfs/dbraw/zinc/78/96/65/475789665.db2.gz DXDZPZMLYSVVJB-UHFFFAOYSA-N 0 3 334.372 2.737 10 5 EFBEHN O=[N+]([O-])c1cnccc1Nc1ccc(CCN2CCSCC2)cc1 ZINC000340153308 475805922 /nfs/dbraw/zinc/80/59/22/475805922.db2.gz SNVMTDFWKCDWPJ-UHFFFAOYSA-N 0 3 344.440 2.747 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(N2CC[C@H](OCCN3CCCCC3)C2)c1 ZINC000338680802 476108189 /nfs/dbraw/zinc/10/81/89/476108189.db2.gz GSIMNLZJMWSOKH-INIZCTEOSA-N 0 3 349.431 2.685 10 5 EFBEHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc3cc[nH]c3n2)n1 ZINC000353623697 476133309 /nfs/dbraw/zinc/13/33/09/476133309.db2.gz CBKZPLIWNHXCFG-GJZGRUSLSA-N 0 3 340.387 2.941 10 5 EFBEHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc3cc[nH]c3n2)n1 ZINC000353623700 476133481 /nfs/dbraw/zinc/13/34/81/476133481.db2.gz CBKZPLIWNHXCFG-HUUCEWRRSA-N 0 3 340.387 2.941 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CCO)CCCCC1 ZINC000353626058 476135271 /nfs/dbraw/zinc/13/52/71/476135271.db2.gz PIHAOMNXSVJVRU-UHFFFAOYSA-N 0 3 335.404 2.517 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(CCO)CCCCC1 ZINC000353652718 476158766 /nfs/dbraw/zinc/15/87/66/476158766.db2.gz FXOZIUPOSCVQFR-UHFFFAOYSA-N 0 3 335.404 2.517 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000340660239 476186513 /nfs/dbraw/zinc/18/65/13/476186513.db2.gz IVMAFYNPKOVCAQ-UONOGXRCSA-N 0 3 333.432 2.814 10 5 EFBEHN O=[N+]([O-])c1cnc(NC[C@H]2CCCCN2Cc2ccccc2)nc1 ZINC000302167928 476191619 /nfs/dbraw/zinc/19/16/19/476191619.db2.gz SKDQZCBNZXTKMT-OAHLLOKOSA-N 0 3 327.388 2.851 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]2COCC[C@H]21 ZINC000362455717 476264263 /nfs/dbraw/zinc/26/42/63/476264263.db2.gz SWRFIHNZZOXZSK-WMLDXEAASA-N 0 3 347.415 2.733 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3ccccn3)CC2)c1 ZINC000362760952 476392561 /nfs/dbraw/zinc/39/25/61/476392561.db2.gz YTYWLWPFFCAKSR-GOSISDBHSA-N 0 3 327.384 2.903 10 5 EFBEHN C[C@]1(CNc2ccncc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000361006343 476538124 /nfs/dbraw/zinc/53/81/24/476538124.db2.gz CZAIHVFXTDYGSA-GOSISDBHSA-N 0 3 326.400 2.878 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000354501897 476690390 /nfs/dbraw/zinc/69/03/90/476690390.db2.gz PHHLKWCECAEJNU-OAHLLOKOSA-N 0 3 331.416 2.829 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429829732 476698429 /nfs/dbraw/zinc/69/84/29/476698429.db2.gz OJSUMAPEEAERFR-CQSZACIVSA-N 0 3 333.432 2.863 10 5 EFBEHN Cc1cccc([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000452090290 476815431 /nfs/dbraw/zinc/81/54/31/476815431.db2.gz QOARVPPXHVDNOX-HOCLYGCPSA-N 0 3 330.384 2.994 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCN1CCCC1 ZINC000446096445 476827288 /nfs/dbraw/zinc/82/72/88/476827288.db2.gz VMGGNVKFPWZFTG-UHFFFAOYSA-N 0 3 325.796 2.724 10 5 EFBEHN COc1cccc([C@H](CNc2ncc(F)cc2[N+](=O)[O-])N(C)C)c1 ZINC000401222210 476897694 /nfs/dbraw/zinc/89/76/94/476897694.db2.gz YJBGBUXSVVIABO-HNNXBMFYSA-N 0 3 334.351 2.852 10 5 EFBEHN C[C@@H](Nc1ccc(N2CCNCC2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000423233057 476970393 /nfs/dbraw/zinc/97/03/93/476970393.db2.gz NRLAEOUPZJDNFT-CYBMUJFWSA-N 0 3 327.388 2.573 10 5 EFBEHN C[C@H](Nc1ccc(N2CCNCC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000423238526 476971788 /nfs/dbraw/zinc/97/17/88/476971788.db2.gz VLAHGDMCUUEJLD-ZDUSSCGKSA-N 0 3 327.388 2.573 10 5 EFBEHN COCCNCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423329344 476995746 /nfs/dbraw/zinc/99/57/46/476995746.db2.gz LHQUDDLUCYMYKT-GOSISDBHSA-N 0 3 329.400 2.510 10 5 EFBEHN C[C@H](NC[C@H]1CS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453239370 477195430 /nfs/dbraw/zinc/19/54/30/477195430.db2.gz UCSKRAWVGRGRFJ-JSGCOSHPSA-N 0 3 346.408 2.817 10 5 EFBEHN NC(=O)[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000453377983 477217286 /nfs/dbraw/zinc/21/72/86/477217286.db2.gz WCICFBZJHZMLMO-RYRKJORJSA-N 0 3 339.395 2.928 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411416479 477227371 /nfs/dbraw/zinc/22/73/71/477227371.db2.gz ORLYFQOVZKTDDL-XOKHGSTOSA-N 0 3 331.416 2.689 10 5 EFBEHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CC23CC3)c1 ZINC000424185552 477319994 /nfs/dbraw/zinc/31/99/94/477319994.db2.gz PVUMRZNGKIXHGS-NSHDSACASA-N 0 3 344.152 2.842 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411969023 477399406 /nfs/dbraw/zinc/39/94/06/477399406.db2.gz PKZBSKBXLRWSRB-LIRRHRJNSA-N 0 3 339.395 2.785 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411969022 477400191 /nfs/dbraw/zinc/40/01/91/477400191.db2.gz PKZBSKBXLRWSRB-KUHUBIRLSA-N 0 3 339.395 2.785 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000371865049 477532332 /nfs/dbraw/zinc/53/23/32/477532332.db2.gz RCMJFUBTHGAKTL-AEFFLSMTSA-N 0 3 344.415 2.725 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(c2nnc3n2CCC3)CC1 ZINC000371899693 477547639 /nfs/dbraw/zinc/54/76/39/477547639.db2.gz QJXYYWQEGHYTFQ-UHFFFAOYSA-N 0 3 341.415 2.821 10 5 EFBEHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000450809671 477725265 /nfs/dbraw/zinc/72/52/65/477725265.db2.gz KYZIMOMWPPBCST-OAHLLOKOSA-N 0 3 326.400 2.948 10 5 EFBEHN CC[C@@H](C)N1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000450861370 477739631 /nfs/dbraw/zinc/73/96/31/477739631.db2.gz PWROSBHQIISNPH-CYBMUJFWSA-N 0 3 335.404 2.610 10 5 EFBEHN CCc1cc(CCCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)on1 ZINC000450884737 477749984 /nfs/dbraw/zinc/74/99/84/477749984.db2.gz STTUFCBRFHLMQH-UHFFFAOYSA-N 0 3 333.392 2.611 10 5 EFBEHN CN(C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000427977924 477798101 /nfs/dbraw/zinc/79/81/01/477798101.db2.gz ADJLMTRCURMNFH-INIZCTEOSA-N 0 3 325.372 2.608 10 5 EFBEHN COc1ccc(-c2ccc(CN3C[C@H](O)C4(CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000428388228 477884464 /nfs/dbraw/zinc/88/44/64/477884464.db2.gz VZGLHGOGTXSDIY-KRWDZBQOSA-N 0 3 344.367 2.820 10 5 EFBEHN O=[N+]([O-])c1cnc2c(c1)CN([C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000459409570 477893046 /nfs/dbraw/zinc/89/30/46/477893046.db2.gz YTPYMHAEMOBFNV-QGZVFWFLSA-N 0 3 338.411 2.622 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](OC(F)F)C1 ZINC000558864422 477937136 /nfs/dbraw/zinc/93/71/36/477937136.db2.gz UMKNEGCLNTYVST-LBPRGKRZSA-N 0 3 343.330 2.545 10 5 EFBEHN C[C@@]12CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000428727703 477968792 /nfs/dbraw/zinc/96/87/92/477968792.db2.gz CUOFECJEKQDGIU-DZGCQCFKSA-N 0 3 339.342 2.901 10 5 EFBEHN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CCCCN1C1CC1 ZINC000487764813 478070847 /nfs/dbraw/zinc/07/08/47/478070847.db2.gz WUDUKYJTJAEZTG-AWEZNQCLSA-N 0 3 326.400 2.994 10 5 EFBEHN Cc1cc(F)ccc1CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000487965734 478093494 /nfs/dbraw/zinc/09/34/94/478093494.db2.gz URBCOQKASRQOHQ-QGZVFWFLSA-N 0 3 348.374 2.914 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1 ZINC000600228375 478298989 /nfs/dbraw/zinc/29/89/89/478298989.db2.gz KOLRIUFVCHJATN-AWEZNQCLSA-N 0 3 347.415 2.740 10 5 EFBEHN Cc1c(CC(=O)NC[C@H]2CCN2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600228491 478299606 /nfs/dbraw/zinc/29/96/06/478299606.db2.gz BTWKMUBMRRXTSG-QGZVFWFLSA-N 0 3 345.443 2.969 10 5 EFBEHN COc1cccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230346 478300313 /nfs/dbraw/zinc/30/03/13/478300313.db2.gz RFCCPNDMVRDGGX-AWEZNQCLSA-N 0 3 347.415 2.740 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600229990 478300840 /nfs/dbraw/zinc/30/08/40/478300840.db2.gz MSLYPRCYVLEYHU-OAHLLOKOSA-N 0 3 347.415 2.740 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600229870 478301599 /nfs/dbraw/zinc/30/15/99/478301599.db2.gz WIAHCBFZIZZZPE-OAHLLOKOSA-N 0 3 347.415 2.740 10 5 EFBEHN O=[N+]([O-])c1cc(Cl)ccc1N1CCC(N2CCCOCC2)CC1 ZINC000521395245 478374767 /nfs/dbraw/zinc/37/47/67/478374767.db2.gz GWYHBJXIACDEIA-UHFFFAOYSA-N 0 3 339.823 2.939 10 5 EFBEHN COc1cc(C(=O)NC[C@H]2CCN2C2CCCC2)cc([N+](=O)[O-])c1C ZINC000600469873 478382158 /nfs/dbraw/zinc/38/21/58/478382158.db2.gz LTRBFSBREAUZAS-OAHLLOKOSA-N 0 3 347.415 2.659 10 5 EFBEHN Cn1c(=O)ccc2c1CCC[C@@H]2N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506538 478417676 /nfs/dbraw/zinc/41/76/76/478417676.db2.gz BDHMDUXAWQZCBC-JKSUJKDBSA-N 0 3 339.395 2.948 10 5 EFBEHN O=C(CCN1CCc2ccccc2C1)NCc1cccc([N+](=O)[O-])c1 ZINC000581775395 478440862 /nfs/dbraw/zinc/44/08/62/478440862.db2.gz NFEKJXREPHTZAL-UHFFFAOYSA-N 0 3 339.395 2.659 10 5 EFBEHN COc1cccc([N+](=O)[O-])c1N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000594571832 478444117 /nfs/dbraw/zinc/44/41/17/478444117.db2.gz ACEMHYLGFNZFME-DZGCQCFKSA-N 0 3 337.445 2.619 10 5 EFBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000600757326 478506885 /nfs/dbraw/zinc/50/68/85/478506885.db2.gz SFZFFSLDNFYDRQ-VNQPRFMTSA-N 0 3 334.397 2.542 10 5 EFBEHN O=[N+]([O-])c1cccc(CCNCc2cnnn2Cc2ccccc2)c1 ZINC000491360958 478524068 /nfs/dbraw/zinc/52/40/68/478524068.db2.gz OLLJOWSZENJPPB-UHFFFAOYSA-N 0 3 337.383 2.567 10 5 EFBEHN COc1cc(CN2C[C@H](c3cnn(C)c3)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000571176547 478538481 /nfs/dbraw/zinc/53/84/81/478538481.db2.gz XBOXMDOOOGWSEF-OAHLLOKOSA-N 0 3 344.415 2.963 10 5 EFBEHN C[C@H](C(=O)NC[C@H]1CCN1C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597856846 478541722 /nfs/dbraw/zinc/54/17/22/478541722.db2.gz BFUINLXGWMESLG-WCQYABFASA-N 0 3 337.395 2.826 10 5 EFBEHN CSc1cccc(C(=O)NC[C@H]2CCN2C(C)(C)C)c1[N+](=O)[O-] ZINC000597859034 478543938 /nfs/dbraw/zinc/54/39/38/478543938.db2.gz QGAWVKXYLZMEBX-LLVKDONJSA-N 0 3 337.445 2.919 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597859696 478545897 /nfs/dbraw/zinc/54/58/97/478545897.db2.gz FUAQATMSUDXXGV-OWCLPIDISA-N 0 3 331.416 2.687 10 5 EFBEHN CC(C)Oc1cc(C(=O)NC[C@@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597861290 478547899 /nfs/dbraw/zinc/54/78/99/478547899.db2.gz SHVURVWNFDESLU-AWEZNQCLSA-N 0 3 349.431 2.985 10 5 EFBEHN COc1cc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc([N+](=O)[O-])c1C ZINC000597861744 478548769 /nfs/dbraw/zinc/54/87/69/478548769.db2.gz WRFCQAUKRPNVIW-CYBMUJFWSA-N 0 3 335.404 2.514 10 5 EFBEHN COC(=O)c1c(Cl)c(NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000591593483 478589356 /nfs/dbraw/zinc/58/93/56/478589356.db2.gz KAZUTXSTBQHBKR-UHFFFAOYSA-N 0 3 327.768 2.541 10 5 EFBEHN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@H]1CCN(C)C1 ZINC000597947591 478592221 /nfs/dbraw/zinc/59/22/21/478592221.db2.gz ZLKLSDLSMFNMEQ-AWEZNQCLSA-N 0 3 335.404 2.548 10 5 EFBEHN CC(=O)NCc1ccc(CNCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000594950113 478600212 /nfs/dbraw/zinc/60/02/12/478600212.db2.gz ILLRIXWZOAIVJA-UHFFFAOYSA-N 0 3 327.384 2.829 10 5 EFBEHN CC(=O)NCc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000594950872 478601699 /nfs/dbraw/zinc/60/16/99/478601699.db2.gz JXCDIMOWKYTZNC-UHFFFAOYSA-N 0 3 327.384 2.829 10 5 EFBEHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000594979996 478616973 /nfs/dbraw/zinc/61/69/73/478616973.db2.gz OJOVFQKUYFFCLV-DYVFJYSZSA-N 0 3 332.379 2.968 10 5 EFBEHN COc1cc(CNC[C@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])cc1OC ZINC000594992141 478620495 /nfs/dbraw/zinc/62/04/95/478620495.db2.gz PLYXUYVRVMBTTD-ZDUSSCGKSA-N 0 3 330.331 2.993 10 5 EFBEHN O=C(N1CC[C@@H](N2CCCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601030965 478622248 /nfs/dbraw/zinc/62/22/48/478622248.db2.gz AZUYMFKYZLBWCR-QGZVFWFLSA-N 0 3 343.427 2.713 10 5 EFBEHN COc1ccc(CNCC2(O)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000594999697 478623766 /nfs/dbraw/zinc/62/37/66/478623766.db2.gz GVHREVFCMZPBRD-UHFFFAOYSA-N 0 3 330.331 2.633 10 5 EFBEHN COc1ccc(CNC[C@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000594998014 478624189 /nfs/dbraw/zinc/62/41/89/478624189.db2.gz DVEZWKPJYBABDU-QGZVFWFLSA-N 0 3 341.411 2.968 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(C(=O)C(C)C)CC1 ZINC000595008557 478626968 /nfs/dbraw/zinc/62/69/68/478626968.db2.gz VIQKRGYQVKODCJ-CYBMUJFWSA-N 0 3 349.431 2.901 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(O)Cc2ccccc2C1 ZINC000595009846 478628052 /nfs/dbraw/zinc/62/80/52/478628052.db2.gz TWRYVFPCCBTVTB-CYBMUJFWSA-N 0 3 342.395 2.784 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)Cc1ccccc1 ZINC000595011741 478628135 /nfs/dbraw/zinc/62/81/35/478628135.db2.gz MEFZJZINSOXVKM-BBRMVZONSA-N 0 3 330.384 2.858 10 5 EFBEHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(CC)C1 ZINC000598041273 478629271 /nfs/dbraw/zinc/62/92/71/478629271.db2.gz KUCMRUMHCDVJHX-LBPRGKRZSA-N 0 3 325.796 2.805 10 5 EFBEHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595038083 478637172 /nfs/dbraw/zinc/63/71/72/478637172.db2.gz GIXCHHFGPWBYOW-XQQFMLRXSA-N 0 3 336.388 2.986 10 5 EFBEHN Cc1c([C@H](C)NCCN2C[C@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000595100742 478660445 /nfs/dbraw/zinc/66/04/45/478660445.db2.gz IPJOICCGDPZYIE-LSDHHAIUSA-N 0 3 346.431 2.844 10 5 EFBEHN C[C@@H](NCCN1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595108065 478663604 /nfs/dbraw/zinc/66/36/04/478663604.db2.gz ZCPYQAVUUIMOGZ-CZUORRHYSA-N 0 3 332.404 2.536 10 5 EFBEHN N[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1c1cccc(F)c1 ZINC000595224362 478692823 /nfs/dbraw/zinc/69/28/23/478692823.db2.gz DITLUYCXRYDNQM-ZIAGYGMSSA-N 0 3 349.387 2.752 10 5 EFBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1NCc2ccccc21 ZINC000595248951 478701275 /nfs/dbraw/zinc/70/12/75/478701275.db2.gz KEVXFSVSQQYWSD-MRXNPFEDSA-N 0 3 325.368 2.788 10 5 EFBEHN O=[N+]([O-])c1cc2c(nc1NC1CCN([C@@H]3CCOC3)CC1)CCCC2 ZINC000591923437 478708958 /nfs/dbraw/zinc/70/89/58/478708958.db2.gz CKBHVVHQGOIMLL-OAHLLOKOSA-N 0 3 346.431 2.534 10 5 EFBEHN CCc1nn(C)c(NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000591985865 478734175 /nfs/dbraw/zinc/73/41/75/478734175.db2.gz PDCNLEYENAVXAB-CABCVRRESA-N 0 3 343.431 2.648 10 5 EFBEHN Cc1noc(CN(C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595385416 478757970 /nfs/dbraw/zinc/75/79/70/478757970.db2.gz VYRQLMYFIBYWLY-OAHLLOKOSA-N 0 3 330.388 2.598 10 5 EFBEHN COC(=O)c1cc(N[C@H]2C[C@@H](C)N(C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000564567617 478761478 /nfs/dbraw/zinc/76/14/78/478761478.db2.gz LRZDZZQWKNATGU-YPMHNXCESA-N 0 3 333.388 2.727 10 5 EFBEHN CC(C)(C)OC(=O)COCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000601296023 478771076 /nfs/dbraw/zinc/77/10/76/478771076.db2.gz MXDGVUCXSCULJO-AWEZNQCLSA-N 0 3 336.388 2.530 10 5 EFBEHN CCCN1CC[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000598343409 478776816 /nfs/dbraw/zinc/77/68/16/478776816.db2.gz UMULQXAIEOMYJB-GFCCVEGCSA-N 0 3 325.796 2.771 10 5 EFBEHN CC1(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)COC1 ZINC000592131291 478789730 /nfs/dbraw/zinc/78/97/30/478789730.db2.gz WKKXXCRRBIIBKM-WKILWMFISA-N 0 3 334.416 2.737 10 5 EFBEHN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2ccccc2F)CCC1 ZINC000592145411 478796567 /nfs/dbraw/zinc/79/65/67/478796567.db2.gz YPVDAKJNSWXWGO-UHFFFAOYSA-N 0 3 331.347 2.565 10 5 EFBEHN Cc1c(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000595588060 478871547 /nfs/dbraw/zinc/87/15/47/478871547.db2.gz ONVMDOYXQPOSQR-AWEZNQCLSA-N 0 3 334.420 2.575 10 5 EFBEHN CC[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 ZINC000598535927 478884761 /nfs/dbraw/zinc/88/47/61/478884761.db2.gz LOCWLYMCWHLAME-YNEHKIRRSA-N 0 3 337.445 2.674 10 5 EFBEHN CN(CCN1CCCCC1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601657139 478931891 /nfs/dbraw/zinc/93/18/91/478931891.db2.gz FKZIJQYDZGTZOZ-UHFFFAOYSA-N 0 3 345.443 2.961 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC3(C[C@H]2C)CCOCC3)c1 ZINC000592525658 478932273 /nfs/dbraw/zinc/93/22/73/478932273.db2.gz CQNFORXVGCJCLT-CYBMUJFWSA-N 0 3 348.399 2.772 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](Nc2ncccn2)C1 ZINC000583995168 478990832 /nfs/dbraw/zinc/99/08/32/478990832.db2.gz PCHZYYOENRYVBS-HFQYIWAZSA-N 0 3 339.399 2.975 10 5 EFBEHN CCCN1CC[C@H](NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000595808786 479010484 /nfs/dbraw/zinc/01/04/84/479010484.db2.gz WJZZZSVZTLEKIN-GOEBONIOSA-N 0 3 334.420 2.829 10 5 EFBEHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC(F)CC1 ZINC000595818773 479015443 /nfs/dbraw/zinc/01/54/43/479015443.db2.gz IYLGOFZHTFROLG-OPFPJEHXSA-N 0 3 349.406 2.990 10 5 EFBEHN CCOC(=O)c1cc(NCCN2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000546580562 479036340 /nfs/dbraw/zinc/03/63/40/479036340.db2.gz VQELRZHRDHFFAM-UHFFFAOYSA-N 0 3 333.388 2.835 10 5 EFBEHN CCCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCN(C)C1 ZINC000592832155 479064029 /nfs/dbraw/zinc/06/40/29/479064029.db2.gz RRLYAVOZSSBANB-CYBMUJFWSA-N 0 3 330.388 2.632 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000515087267 479118697 /nfs/dbraw/zinc/11/86/97/479118697.db2.gz GVDBNZBNKDGZJK-DLBZAZTESA-N 0 3 346.408 2.514 10 5 EFBEHN CCC[C@@]1(CO)CCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593027640 479131337 /nfs/dbraw/zinc/13/13/37/479131337.db2.gz UWARWIGQPXFPGI-KRWDZBQOSA-N 0 3 336.388 2.508 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)[C@](C)(OC)C2CC2)c1 ZINC000593035102 479135921 /nfs/dbraw/zinc/13/59/21/479135921.db2.gz XFUDHZWJMTVVCL-DIFFPNOSSA-N 0 3 336.388 2.675 10 5 EFBEHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC12CCCC2 ZINC000593037883 479137163 /nfs/dbraw/zinc/13/71/63/479137163.db2.gz DESMYKDTQXYSRC-UHFFFAOYSA-N 0 3 331.372 2.911 10 5 EFBEHN N[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1F ZINC000596105212 479140910 /nfs/dbraw/zinc/14/09/10/479140910.db2.gz HDBTUMAKPFYUIX-ZIAGYGMSSA-N 0 3 336.392 2.589 10 5 EFBEHN CS[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000599059317 479142240 /nfs/dbraw/zinc/14/22/40/479142240.db2.gz MVWVQEOMRKIXIF-GJZGRUSLSA-N 0 3 332.429 2.625 10 5 EFBEHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CCC2)C1=O ZINC000599094330 479159901 /nfs/dbraw/zinc/15/99/01/479159901.db2.gz UEHDKAPUBRHLLN-XJKSGUPXSA-N 0 3 331.416 2.659 10 5 EFBEHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCCN(c2ncccn2)C1 ZINC000584540204 479172038 /nfs/dbraw/zinc/17/20/38/479172038.db2.gz QQKATCQRIZQPQV-BBRMVZONSA-N 0 3 339.399 2.631 10 5 EFBEHN COc1ccc(OCCN2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117113 479186198 /nfs/dbraw/zinc/18/61/98/479186198.db2.gz OWBOMIIIASCHFV-AWEZNQCLSA-N 0 3 328.315 2.713 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@]2(CC2(F)F)C1 ZINC000593118780 479187555 /nfs/dbraw/zinc/18/75/55/479187555.db2.gz RYCDUPLQWKTICV-OAHLLOKOSA-N 0 3 339.342 2.963 10 5 EFBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593126370 479192692 /nfs/dbraw/zinc/19/26/92/479192692.db2.gz UJAGMMCZQSZXHD-BZSNNMDCSA-N 0 3 342.399 2.786 10 5 EFBEHN CCN1CC[C@H]2OCCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000556927604 479239424 /nfs/dbraw/zinc/23/94/24/479239424.db2.gz UNCKODLNLZODPQ-YOYDVCCWSA-N 0 3 345.443 2.793 10 5 EFBEHN CC[C@@H](NC(=O)N(CC)[C@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596456930 479302494 /nfs/dbraw/zinc/30/24/94/479302494.db2.gz UZOKCRWXMFILQW-JKSUJKDBSA-N 0 3 334.420 2.782 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000585717001 479315780 /nfs/dbraw/zinc/31/57/80/479315780.db2.gz SQMMAJGOJAUPRW-DOTOQJQBSA-N 0 3 333.432 2.843 10 5 EFBEHN CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596516005 479324296 /nfs/dbraw/zinc/32/42/96/479324296.db2.gz BQFGZCIMRJMEHZ-JTQLQIEISA-N 0 3 341.795 2.931 10 5 EFBEHN CCCN(C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000596543421 479334494 /nfs/dbraw/zinc/33/44/94/479334494.db2.gz UCLQUXXUMVCFRK-UHFFFAOYSA-N 0 3 343.449 2.531 10 5 EFBEHN CCCN(C)CC(C)(C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596544103 479335555 /nfs/dbraw/zinc/33/55/55/479335555.db2.gz YAJNUKARGVEQKU-UHFFFAOYSA-N 0 3 349.478 2.592 10 5 EFBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593460011 479350790 /nfs/dbraw/zinc/35/07/90/479350790.db2.gz YXNHTFMDVQFVIS-CHWSQXEVSA-N 0 3 337.395 2.656 10 5 EFBEHN CCOc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000611377192 479362164 /nfs/dbraw/zinc/36/21/64/479362164.db2.gz WISPKYOOAXRMHN-ZDUSSCGKSA-N 0 3 331.372 2.506 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000599661107 479376828 /nfs/dbraw/zinc/37/68/28/479376828.db2.gz SCWOOSQOUZYVOS-ZACQAIPSSA-N 0 3 348.399 2.637 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000599662768 479378364 /nfs/dbraw/zinc/37/83/64/479378364.db2.gz XJLWZOAQEHGAOZ-BBWFWOEESA-N 0 3 348.399 2.637 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000599693850 479394136 /nfs/dbraw/zinc/39/41/36/479394136.db2.gz NNFCIWFWJCQEAZ-AWEZNQCLSA-N 0 3 348.403 2.742 10 5 EFBEHN COC[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000593669879 479417695 /nfs/dbraw/zinc/41/76/95/479417695.db2.gz BYIMPOPRCSGZSX-QWHCGFSZSA-N 0 3 348.424 2.905 10 5 EFBEHN O=C(CCN1CCC[C@H](OC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611579289 479423658 /nfs/dbraw/zinc/42/36/58/479423658.db2.gz UZTVBWVEIRIUDI-NSHDSACASA-N 0 3 343.330 2.627 10 5 EFBEHN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCN(CC)C1 ZINC000596843322 479451730 /nfs/dbraw/zinc/45/17/30/479451730.db2.gz KCHKWSAKOMOYDZ-ZDUSSCGKSA-N 0 3 336.392 2.551 10 5 EFBEHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000575945402 479508313 /nfs/dbraw/zinc/50/83/13/479508313.db2.gz AYKBLHOKXMZKFL-ZDUSSCGKSA-N 0 3 335.404 2.550 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(CCO)(CCO)CC1 ZINC000602734069 479514857 /nfs/dbraw/zinc/51/48/57/479514857.db2.gz XUXBLIAIDPLPQW-DTQAZKPQSA-N 0 3 348.443 2.845 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000589506112 479535149 /nfs/dbraw/zinc/53/51/49/479535149.db2.gz VTEOPNJSRJSOEJ-HUUCEWRRSA-N 0 3 348.399 2.630 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000589506870 479535897 /nfs/dbraw/zinc/53/58/97/479535897.db2.gz YVFMBLVGPBOEFM-PBHICJAKSA-N 0 3 336.388 2.675 10 5 EFBEHN C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@H](c1ccccc1)N(C)C ZINC000589598041 479543739 /nfs/dbraw/zinc/54/37/39/479543739.db2.gz CZRQRAMDNJNZDS-YVEFUNNKSA-N 0 3 344.415 2.773 10 5 EFBEHN CC[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCCO1 ZINC000594044961 479565075 /nfs/dbraw/zinc/56/50/75/479565075.db2.gz RKUOQYQSHPQYAJ-ZBFHGGJFSA-N 0 3 335.404 2.779 10 5 EFBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000590044639 479595346 /nfs/dbraw/zinc/59/53/46/479595346.db2.gz KALJCNQOMFSRFG-BBRMVZONSA-N 0 3 331.416 2.668 10 5 EFBEHN CN1C[C@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000590053068 479597100 /nfs/dbraw/zinc/59/71/00/479597100.db2.gz WIWMGAYCIPJWOS-PBHICJAKSA-N 0 3 327.384 2.991 10 5 EFBEHN CN1C[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@H]2C1 ZINC000590183927 479614890 /nfs/dbraw/zinc/61/48/90/479614890.db2.gz DWIPWEVYHVRPCK-YGRLFVJLSA-N 0 3 329.322 2.750 10 5 EFBEHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590445858 479649102 /nfs/dbraw/zinc/64/91/02/479649102.db2.gz TXOBBBMJRXDKIV-DOMZBBRYSA-N 0 3 349.456 2.873 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000612576497 479697648 /nfs/dbraw/zinc/69/76/48/479697648.db2.gz PPLKMGFWBVZSCA-SFHVURJKSA-N 0 3 333.432 2.590 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(OCCCO)CC1 ZINC000615835200 479766058 /nfs/dbraw/zinc/76/60/58/479766058.db2.gz YOFSSSUIPXFQBC-NTCAYCPXSA-N 0 3 334.416 2.862 10 5 EFBEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000180611296 522524204 /nfs/dbraw/zinc/52/42/04/522524204.db2.gz YJWCUCKBQBMVFL-OCCSQVGLSA-N 0 3 329.404 2.723 10 5 EFBEHN CCc1nc2n(n1)C[C@@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)CC2 ZINC000180632124 522526159 /nfs/dbraw/zinc/52/61/59/522526159.db2.gz ZLUYHHAVXHTTQL-ZFWWWQNUSA-N 0 3 329.404 2.804 10 5 EFBEHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000246178429 523991667 /nfs/dbraw/zinc/99/16/67/523991667.db2.gz BVYPDPJRWMZDRQ-JSGCOSHPSA-N 0 3 337.807 2.805 10 5 EFBEHN C[C@@H](N[C@@H]1CCCN(c2ncccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000192811078 525636157 /nfs/dbraw/zinc/63/61/57/525636157.db2.gz HKVZNLZHQZILQA-UKRRQHHQSA-N 0 3 327.388 2.704 10 5 EFBEHN Cc1nc(C[C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000195518224 526920894 /nfs/dbraw/zinc/92/08/94/526920894.db2.gz QMFVFYCMMPROMV-AWEZNQCLSA-N 0 3 346.387 2.620 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182082236 527314283 /nfs/dbraw/zinc/31/42/83/527314283.db2.gz FIYOFKBPFBYURS-ZDUSSCGKSA-N 0 3 342.399 2.549 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2nc(CN3CCN4CCC[C@H]4C3)co2)cc1 ZINC000245835416 527342766 /nfs/dbraw/zinc/34/27/66/527342766.db2.gz GZSJAHGDDBPFSW-INIZCTEOSA-N 0 3 328.372 2.530 10 5 EFBEHN O=[N+]([O-])c1cnn(CCN[C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000090539987 527413848 /nfs/dbraw/zinc/41/38/48/527413848.db2.gz HLBKCJNXGKRTSA-KRWDZBQOSA-N 0 3 342.399 2.784 10 5 EFBEHN CC(C)Oc1cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412126413 534942562 /nfs/dbraw/zinc/94/25/62/534942562.db2.gz KDYXVDNXYMHEAO-HIFRSBDPSA-N 0 3 349.431 2.937 10 5 EFBEHN CC(C)(NC(=O)NC[C@@H](N)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000418450632 535225721 /nfs/dbraw/zinc/22/57/21/535225721.db2.gz LTTDBYFYFPDCAQ-OAHLLOKOSA-N 0 3 342.399 2.829 10 5 EFBEHN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000352058724 535956023 /nfs/dbraw/zinc/95/60/23/535956023.db2.gz FYCDTKWXFSJVHK-MRXNPFEDSA-N 0 3 331.416 2.568 10 5 EFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000755095974 575540872 /nfs/dbraw/zinc/54/08/72/575540872.db2.gz CDOCXVARHYULLO-IKESIWSLSA-N 0 3 331.416 2.989 10 5 EFBEHN Cc1nn(CN2CCC[C@@H]([C@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761291813 576141044 /nfs/dbraw/zinc/14/10/44/576141044.db2.gz KBUAOJGIWCPLOO-CABCVRRESA-N 0 3 344.415 2.959 10 5 EFBEHN O=[N+]([O-])c1ccc(CNCCOc2ncccc2F)cc1Cl ZINC000761526394 576174843 /nfs/dbraw/zinc/17/48/43/576174843.db2.gz AYUCZZAYTICVGZ-UHFFFAOYSA-N 0 3 325.727 2.951 10 5 EFBEHN COc1ccc(OC)c([C@H](C)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000765844938 577082207 /nfs/dbraw/zinc/08/22/07/577082207.db2.gz LGVAVFHFHMAESP-SJCJKPOMSA-N 0 3 346.383 2.996 10 5 EFBEHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC[S@](=O)CC ZINC000768103465 577254610 /nfs/dbraw/zinc/25/46/10/577254610.db2.gz FPLAPGAPCGCTNW-LAJNKCICSA-N 0 3 330.475 2.824 10 5 EFBEHN CCN(CC)CCOC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000772255019 581300115 /nfs/dbraw/zinc/30/01/15/581300115.db2.gz CMYWLWOGQRNEPF-UHFFFAOYSA-N 0 3 332.303 2.695 10 5 EFBEHN CC[C@H](NCC[S@](=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850491304 1250505926 /nfs/dbraw/zinc/50/59/26/1250505926.db2.gz OBJYBCIZZMOLAD-YTEVENLXSA-N 0 3 338.351 2.947 10 5 EFBEHN CCn1ccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c1C ZINC001691440647 1249027641 /nfs/dbraw/zinc/02/76/41/1249027641.db2.gz CMTAYRVEBVCOLV-UHFFFAOYSA-N 0 3 344.415 2.586 10 5 EFBEHN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(CN(C)C)cc2F)n1 ZINC001299305668 1265467694 /nfs/dbraw/zinc/46/76/94/1265467694.db2.gz BRMNEEJPNGGMNX-UHFFFAOYSA-N 0 3 332.335 2.751 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1 ZINC001691244616 1248568019 /nfs/dbraw/zinc/56/80/19/1248568019.db2.gz TZWQXWBTTQJWJG-UHFFFAOYSA-N 0 3 331.347 2.596 10 5 EFBEHN CS(=O)(=O)CC1(CCNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000850342444 1250440917 /nfs/dbraw/zinc/44/09/17/1250440917.db2.gz JPRKECAPNPLOPV-UHFFFAOYSA-N 0 3 346.836 2.553 10 5 EFBEHN Cc1c([C@H](C)NCC[S@@](=O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000850490542 1250502100 /nfs/dbraw/zinc/50/21/00/1250502100.db2.gz CVSAAGRVHPXVAJ-MLMJSJRWSA-N 0 3 338.351 2.865 10 5 EFBEHN CC[C@@H](NCC[S@@](=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850491303 1250505135 /nfs/dbraw/zinc/50/51/35/1250505135.db2.gz OBJYBCIZZMOLAD-VERVWZFWSA-N 0 3 338.351 2.947 10 5 EFBEHN CN(CCCN(C)C(=O)c1cccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001484731058 1252827983 /nfs/dbraw/zinc/82/79/83/1252827983.db2.gz KHAZSPUIPTZPMH-UHFFFAOYSA-N 0 3 342.399 2.584 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccsc1 ZINC001273249758 1264839740 /nfs/dbraw/zinc/83/97/40/1264839740.db2.gz WJJHZNSVIGFTHA-UHFFFAOYSA-N 0 3 347.440 2.837 10 5 EFBEHN Cc1ccccc1[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406295 1271030723 /nfs/dbraw/zinc/03/07/23/1271030723.db2.gz BIVQVQOLWIZYJK-PBHICJAKSA-N 0 3 342.399 2.518 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CN1CCCCC1 ZINC001136188418 1276611357 /nfs/dbraw/zinc/61/13/57/1276611357.db2.gz IPPRFOUZJMZTSK-CYBMUJFWSA-N 0 3 335.404 2.598 10 5 EFBEHN C/C(=C\C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000923271060 1277436922 /nfs/dbraw/zinc/43/69/22/1277436922.db2.gz JILLJFXNZZGLFM-HSYXRWIHSA-N 0 3 329.400 2.693 10 5 EFBEHN C/C(=C/C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000923271059 1277437792 /nfs/dbraw/zinc/43/77/92/1277437792.db2.gz JILLJFXNZZGLFM-FONJURLJSA-N 0 3 329.400 2.693 10 5 EFBEHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCC[C@@]1(O)CCOC1 ZINC000846050202 1280002066 /nfs/dbraw/zinc/00/20/66/1280002066.db2.gz SHXJWNVTJQDVOG-CYBMUJFWSA-N 0 3 335.187 2.533 10 5 EFBEHN C[C@@H](NCCCN1C[C@@H](C)O[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019575 1287401265 /nfs/dbraw/zinc/40/12/65/1287401265.db2.gz WXIQZYRMUUQPPB-HZSPNIEDSA-N 0 3 339.411 2.884 10 5 EFBEHN CC(C)(C)OC(=O)CCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323240 1287401669 /nfs/dbraw/zinc/40/16/69/1287401669.db2.gz JSNULTGSYKMECR-KRWDZBQOSA-N 0 3 338.404 2.514 10 5 EFBEHN COCC1(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872073029 1287420114 /nfs/dbraw/zinc/42/01/14/1287420114.db2.gz LRNXZONVWCYFOM-GFCCVEGCSA-N 0 3 326.368 2.828 10 5 EFBEHN CC(=O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000846949062 1280652107 /nfs/dbraw/zinc/65/21/07/1280652107.db2.gz GQKVHWLPKSUNEP-UHFFFAOYSA-N 0 3 333.388 2.533 10 5 EFBEHN CC[C@H]1CN(C)CCCN1C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000846989778 1280675929 /nfs/dbraw/zinc/67/59/29/1280675929.db2.gz USAIIKVCWPXZFW-GRNBYLDVSA-N 0 3 331.416 2.941 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C1CCN(C2CC2)CC1 ZINC000805913822 1280867868 /nfs/dbraw/zinc/86/78/68/1280867868.db2.gz RKNZLOLISXZNBJ-UHFFFAOYSA-N 0 3 348.399 2.700 10 5 EFBEHN Cc1ccc(OC[C@H](O)CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000872232003 1287488514 /nfs/dbraw/zinc/48/85/14/1287488514.db2.gz WSHZABKYKDWAMT-MRXNPFEDSA-N 0 3 330.384 2.741 10 5 EFBEHN C[C@H](NCCn1cnc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 ZINC001176037889 1287667606 /nfs/dbraw/zinc/66/76/06/1287667606.db2.gz YTQUYCXBABGRCC-ZDUSSCGKSA-N 0 3 338.367 2.656 10 5 EFBEHN CC(COC(=O)COc1ccccc1Cc1ccccc1)[N+](=O)[O-] ZINC000813100115 1285652730 /nfs/dbraw/zinc/65/27/30/1285652730.db2.gz NBXHOBPWUHXPSF-CQSZACIVSA-N 0 3 329.352 2.865 10 5 EFBEHN CC(COC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)[N+](=O)[O-] ZINC000813103301 1285654822 /nfs/dbraw/zinc/65/48/22/1285654822.db2.gz BSAPOJOIHVFRKX-VIFPVBQESA-N 0 3 343.261 2.713 10 5 EFBEHN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813108980 1285679922 /nfs/dbraw/zinc/67/99/22/1285679922.db2.gz CXXQXFJCORCCQA-IHRRRGAJSA-N 0 3 348.399 2.761 10 5 EFBEHN CC(COC(=O)CSCc1coc(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813108900 1285681618 /nfs/dbraw/zinc/68/16/18/1285681618.db2.gz BVEKTJDGYGGMKP-NSHDSACASA-N 0 3 336.369 2.783 10 5 EFBEHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1C ZINC000813110015 1285681790 /nfs/dbraw/zinc/68/17/90/1285681790.db2.gz YUBOJMISVYGXKI-CYBMUJFWSA-N 0 3 331.372 2.955 10 5 EFBEHN CC(COC(=O)C1(c2cccc(Br)c2)CC1)[N+](=O)[O-] ZINC000813112977 1285683454 /nfs/dbraw/zinc/68/34/54/1285683454.db2.gz MYRXLHRFCKWBHV-SECBINFHSA-N 0 3 328.162 2.689 10 5 EFBEHN Cc1ccc(/C=C\C(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000813113647 1285684110 /nfs/dbraw/zinc/68/41/10/1285684110.db2.gz SBOVTCGPUVLWKS-OMMCCPJFSA-N 0 3 328.162 2.979 10 5 EFBEHN O=[N+]([O-])c1ccc(CN[C@H]2CCOCC23CCCC3)c([N+](=O)[O-])c1 ZINC001176965206 1288197388 /nfs/dbraw/zinc/19/73/88/1288197388.db2.gz JJAQDOKQJCZFBU-HNNXBMFYSA-N 0 3 335.360 2.942 10 5 EFBEHN C[C@@H]1CCN(CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000816845586 1288301225 /nfs/dbraw/zinc/30/12/25/1288301225.db2.gz WETWGSODYYCHCK-LLVKDONJSA-N 0 3 325.796 2.548 10 5 EFBEHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cnn(-c3ccccc3)c2)cc1 ZINC000821887573 1288822707 /nfs/dbraw/zinc/82/27/07/1288822707.db2.gz QWDISEUUMHRSBH-GOSISDBHSA-N 0 3 338.367 2.604 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCC[C@]12CCCO2 ZINC000880508241 1292522169 /nfs/dbraw/zinc/52/21/69/1292522169.db2.gz RLHXLGJSYJCJDN-PBHICJAKSA-N 0 3 333.388 2.533 10 5 EFBEHN CC(=O)c1c(NCCCN2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000882265088 1293145980 /nfs/dbraw/zinc/14/59/80/1293145980.db2.gz PPCKDVPRCRHDAT-ZDUSSCGKSA-N 0 3 335.404 2.710 10 5 EFBEHN O=C(CCN1CCC(c2ncco2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001196788580 1294365342 /nfs/dbraw/zinc/36/53/42/1294365342.db2.gz CSXQDASXJGASBO-UHFFFAOYSA-N 0 3 344.371 2.791 10 5 EFBEHN COc1cc(CNCC[C@H]2CC(C)(C)CO2)c([N+](=O)[O-])cc1OC ZINC000886307090 1294837456 /nfs/dbraw/zinc/83/74/56/1294837456.db2.gz JHELVOXWWJFHDD-ZDUSSCGKSA-N 0 3 338.404 2.907 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1([C@H]2CCCO2)CCC1 ZINC001198705005 1295217646 /nfs/dbraw/zinc/21/76/46/1295217646.db2.gz GETJHQALYLEMEX-OAHLLOKOSA-N 0 3 333.388 2.533 10 5 EFBEHN C[C@@H]1[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C ZINC000925341610 1296832037 /nfs/dbraw/zinc/83/20/37/1296832037.db2.gz PHOCPZOFSMJEDX-UKPHBRMFSA-N 0 3 346.431 2.576 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927041155 1296980639 /nfs/dbraw/zinc/98/06/39/1296980639.db2.gz AETKMFAALSYBQL-YPRXJGMQSA-N 0 3 338.429 2.662 10 5 EFBEHN COc1cc(CN(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000776274492 1297338936 /nfs/dbraw/zinc/33/89/36/1297338936.db2.gz DJZNMRHPOVYUDQ-GOSISDBHSA-N 0 3 346.383 2.777 10 5 EFBEHN Cc1ccccc1[C@H](O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000796405325 1299328780 /nfs/dbraw/zinc/32/87/80/1299328780.db2.gz FTKVICVQIBIQSE-GOSISDBHSA-N 0 3 344.415 2.545 10 5 EFBEHN COCCN1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865445849 1303260047 /nfs/dbraw/zinc/26/00/47/1303260047.db2.gz KCSVRZCICAQPMR-UHFFFAOYSA-N 0 3 329.347 2.691 10 5 EFBEHN COc1cc(C[NH2+]C[C@H]2CCC23CCOCC3)c([N+](=O)[O-])cc1[O-] ZINC000865777732 1303396504 /nfs/dbraw/zinc/39/65/04/1303396504.db2.gz BHIRLCGBNUFLFS-CYBMUJFWSA-N 0 3 336.388 2.605 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cc2n(n1)CCN(C)C2 ZINC000865844468 1303425984 /nfs/dbraw/zinc/42/59/84/1303425984.db2.gz CDKZPUKHOIGSNM-MDWZMJQESA-N 0 3 327.388 2.752 10 5 EFBEHN Cc1ccc(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000868758105 1304458389 /nfs/dbraw/zinc/45/83/89/1304458389.db2.gz LVNKCDRKTJDNQJ-AWEZNQCLSA-N 0 3 334.420 2.575 10 5 EFBEHN CC([C@H](OC(=O)[C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000870453638 1305329519 /nfs/dbraw/zinc/32/95/19/1305329519.db2.gz BMCMXIJNXHTKDA-SGOHARFASA-N 0 3 325.336 2.889 10 5 EFBEHN CN1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000871148941 1305836062 /nfs/dbraw/zinc/83/60/62/1305836062.db2.gz AIRBEZROCLJIEI-UHFFFAOYSA-N 0 3 337.445 2.630 10 5 EFBEHN O=C(CCC(F)F)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC001277014524 1311464518 /nfs/dbraw/zinc/46/45/18/1311464518.db2.gz PXZPDYKSLKFKRT-HOMQSWHASA-N 0 3 347.387 2.686 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(OC(C)C)CCOC1 ZINC000903357358 1312595365 /nfs/dbraw/zinc/59/53/65/1312595365.db2.gz LQXKJIGGZMJKQS-GUYCJALGSA-N 0 3 338.404 2.838 10 5 EFBEHN CC[C@@H]1OCC[C@H]1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001263535446 1316548627 /nfs/dbraw/zinc/54/86/27/1316548627.db2.gz XSNWOZXPAOSABA-DWZYQQQCSA-N 0 3 325.336 2.890 10 5 EFBEHN Cc1cnccc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001264983773 1316679386 /nfs/dbraw/zinc/67/93/86/1316679386.db2.gz MVFBOLCAVDPIAU-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN O=C(CCc1ccco1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001265529161 1316821512 /nfs/dbraw/zinc/82/15/12/1316821512.db2.gz SHWQQJWRZFDRDG-GASCZTMLSA-N 0 3 343.383 2.557 10 5 EFBEHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C(C)(C)C1 ZINC001304042398 1324634425 /nfs/dbraw/zinc/63/44/25/1324634425.db2.gz IGXYIOFHEYDSBQ-AWEZNQCLSA-N 0 3 337.445 2.777 10 5 EFBEHN CC[C@@H](c1ccccc1)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001307497090 1324770993 /nfs/dbraw/zinc/77/09/93/1324770993.db2.gz CUVCPBCDFHIXPU-KRWDZBQOSA-N 0 3 343.431 2.560 10 5 EFBEHN Cc1c(NC(=O)CCN[C@H]2CCCn3nccc32)cccc1[N+](=O)[O-] ZINC001308026056 1324790386 /nfs/dbraw/zinc/79/03/86/1324790386.db2.gz HSBZDBRLRSEUDP-AWEZNQCLSA-N 0 3 343.387 2.553 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccsc1 ZINC001320672620 1329182279 /nfs/dbraw/zinc/18/22/79/1329182279.db2.gz QIZLISVXDRNXPC-UHFFFAOYSA-N 0 3 347.440 2.837 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C(C1CC1)C1CC1 ZINC001317648415 1328235164 /nfs/dbraw/zinc/23/51/64/1328235164.db2.gz KWGRNYZCWQFSJW-UHFFFAOYSA-N 0 3 331.416 2.579 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1CCC=CCC1 ZINC001317663750 1328255421 /nfs/dbraw/zinc/25/54/21/1328255421.db2.gz LMRVNENQQIWSGA-UHFFFAOYSA-N 0 3 331.416 2.889 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C1(CF)CCC1 ZINC001322701336 1329480924 /nfs/dbraw/zinc/48/09/24/1329480924.db2.gz WMLJNZLDAAMNEX-UHFFFAOYSA-N 0 3 337.395 2.673 10 5 EFBEHN CCOCC(=O)NC1(CNCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001329798956 1330738164 /nfs/dbraw/zinc/73/81/64/1330738164.db2.gz GUCWVDQZCIFSIL-UHFFFAOYSA-N 0 3 349.431 2.540 10 5 EFBEHN CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1CN2CCC1CC2 ZINC001331589287 1330856800 /nfs/dbraw/zinc/85/68/00/1330856800.db2.gz VCRASNZSWBPQLS-GOSISDBHSA-N 0 3 339.395 2.914 10 5 EFBEHN C[C@H]1COCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC001333027842 1331069167 /nfs/dbraw/zinc/06/91/67/1331069167.db2.gz AXQMZQDMHGFGRD-ZANVPECISA-N 0 3 329.194 2.872 10 5 EFBEHN CC([C@H](OC(=O)[C@@H](C)[C@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC001345234946 1332524551 /nfs/dbraw/zinc/52/45/51/1332524551.db2.gz YDAMODVZZYKONF-DRABBMOASA-N 0 3 325.336 2.890 10 5 EFBEHN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C1CCCC1 ZINC001347813899 1332775373 /nfs/dbraw/zinc/77/53/73/1332775373.db2.gz OASNNOVJYSXNHL-AWEZNQCLSA-N 0 3 331.416 2.613 10 5 EFBEHN COC[C@@H](O)CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001352028490 1333358796 /nfs/dbraw/zinc/35/87/96/1333358796.db2.gz GAVHRJCJUNJTFI-NSHDSACASA-N 0 3 340.763 2.605 10 5 EFBEHN CC(C)([C@H](NCC[N+](=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC001354584227 1334389504 /nfs/dbraw/zinc/38/95/04/1334389504.db2.gz LEEMIHNHAFHGPW-OAHLLOKOSA-N 0 3 327.375 2.747 10 5 EFBEHN CC[C@@H]1[C@@H](C)CCN1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483881 1334740826 /nfs/dbraw/zinc/74/08/26/1334740826.db2.gz AWRBDYOZZYYZMW-IAOVAPTHSA-N 0 3 331.416 2.989 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848578722 1334805614 /nfs/dbraw/zinc/80/56/14/1334805614.db2.gz ZSDLRTHVYPXIJG-JQPKSGMCSA-N 0 3 331.372 2.571 10 5 EFBEHN COC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001356535673 1335049832 /nfs/dbraw/zinc/04/98/32/1335049832.db2.gz VKTFWVNCXWYDAH-DLBZAZTESA-N 0 3 334.347 2.745 10 5 EFBEHN CC(C)Oc1nc(N2CCN[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001458627402 1395526655 /nfs/dbraw/zinc/52/66/55/1395526655.db2.gz CPIXJFUTRYIXHV-OAHLLOKOSA-N 0 3 342.399 2.928 10 5 EFBEHN CCC(O)(CC)C(C)(C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001460669870 1396241017 /nfs/dbraw/zinc/24/10/17/1396241017.db2.gz XYOCMKBNIWQQFL-UHFFFAOYSA-N 0 3 337.420 2.761 10 5 EFBEHN COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001463832815 1396524068 /nfs/dbraw/zinc/52/40/68/1396524068.db2.gz AFTJULQOXKRVLE-UHFFFAOYSA-N 0 3 344.371 2.621 10 5 EFBEHN CCc1[nH]ccc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479768718 1397831732 /nfs/dbraw/zinc/83/17/32/1397831732.db2.gz KEQMGBRMWWLQRX-UHFFFAOYSA-N 0 3 344.415 2.737 10 5 EFBEHN CCN(CCCNC(=O)C1CC=CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479840779 1397938886 /nfs/dbraw/zinc/93/88/86/1397938886.db2.gz GVWJQYJAMQFLHV-UHFFFAOYSA-N 0 3 331.416 2.889 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC=CCC1 ZINC001493796464 1398889721 /nfs/dbraw/zinc/88/97/21/1398889721.db2.gz JFZYBBCBOKVKTF-UHFFFAOYSA-N 0 3 331.416 2.889 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccnc(C)c1 ZINC001497468915 1401398077 /nfs/dbraw/zinc/39/80/77/1401398077.db2.gz URJVRLGMAWTEEV-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN CC1(C)CC(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC001497576860 1401467135 /nfs/dbraw/zinc/46/71/35/1401467135.db2.gz VMWHJNDTEKNXIT-ARJAWSKDSA-N 0 3 331.416 2.793 10 5 EFBEHN Cc1coc(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001497658532 1401528028 /nfs/dbraw/zinc/52/80/28/1401528028.db2.gz YHPLXGAMLNHANN-NSCUHMNNSA-N 0 3 329.356 2.572 10 5 EFBEHN CC1(CC(=O)NC[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001565869188 1415109219 /nfs/dbraw/zinc/10/92/19/1415109219.db2.gz BOORSVHWBULZPO-CTYIDZIISA-N 0 3 331.416 2.769 10 5 EFBEHN CCOC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1OC)CC1CC1 ZINC001559510801 1415249421 /nfs/dbraw/zinc/24/94/21/1415249421.db2.gz WSFHBEIBFINUBF-UHFFFAOYSA-N 0 3 336.388 2.769 10 5 EFBEHN COCCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C)c(C)c1 ZINC001560149412 1415264993 /nfs/dbraw/zinc/26/49/93/1415264993.db2.gz JDLRIUKATLAOQH-UHFFFAOYSA-N 0 3 332.404 2.557 10 5 EFBEHN CC(C)N1CCC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001567356447 1416087148 /nfs/dbraw/zinc/08/71/48/1416087148.db2.gz WFTFKKHRPCATRR-NSHDSACASA-N 0 3 325.796 2.851 10 5 EFBEHN CC/C(C)=C\C(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001717010188 1419145771 /nfs/dbraw/zinc/14/57/71/1419145771.db2.gz UOOABYHTBKSMNV-SOAPFZLESA-N 0 3 343.427 2.841 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1F ZINC001722967911 1424388753 /nfs/dbraw/zinc/38/87/53/1424388753.db2.gz USZCRLUVPOFKNS-UHFFFAOYSA-N 0 3 345.374 2.986 10 5 EFBEHN CN(CCCN(C)C(=O)CC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001724848900 1425068672 /nfs/dbraw/zinc/06/86/72/1425068672.db2.gz UWALASONFDFQED-UHFFFAOYSA-N 0 3 347.337 2.828 10 5 EFBEHN Cc1cc[nH]c1C(=O)N(C)CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001724851312 1425069910 /nfs/dbraw/zinc/06/99/10/1425069910.db2.gz FEFQUMPBPLORHW-UHFFFAOYSA-N 0 3 344.415 2.825 10 5 EFBEHN CC(COC(=O)C1(c2ccc(Br)cc2)CC1)[N+](=O)[O-] ZINC000813111606 713551685 /nfs/dbraw/zinc/55/16/85/713551685.db2.gz VSKRANKCVKRLAY-SECBINFHSA-N 0 3 328.162 2.689 10 5 EFBEHN CC(COC(=O)CCc1cc(Br)ccc1F)[N+](=O)[O-] ZINC000813114066 713613052 /nfs/dbraw/zinc/61/30/52/713613052.db2.gz YGLASGQGDTXMEU-QMMMGPOBSA-N 0 3 334.141 2.729 10 5 EFBEHN C[C@H]1COCC[C@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC000311533893 718751152 /nfs/dbraw/zinc/75/11/52/718751152.db2.gz YOZNASXUQJJONW-GXSJLCMTSA-N 0 3 329.194 2.872 10 5 EFBEHN CC[C@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893449127 715519581 /nfs/dbraw/zinc/51/95/81/715519581.db2.gz FMWXASHASQZIMG-CVEARBPZSA-N 0 3 334.420 2.782 10 5 EFBEHN CC[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC000893452677 715560624 /nfs/dbraw/zinc/56/06/24/715560624.db2.gz WRZWCLKIFYDPOC-BBWFWOEESA-N 0 3 346.431 2.924 10 5 EFBEHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCCC[C@H]1O ZINC000162167859 716710277 /nfs/dbraw/zinc/71/02/77/716710277.db2.gz CPPIJMKEJRIUEO-DGCLKSJQSA-N 0 3 329.194 2.750 10 5 EFBEHN C/C(=C/C(=O)N[C@@]1(C)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000892781194 719164637 /nfs/dbraw/zinc/16/46/37/719164637.db2.gz WOPVAVJVBQBYES-LVWOJMJRSA-N 0 3 329.400 2.599 10 5 EFBEHN COC(=O)/C=C\c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000728199213 723844881 /nfs/dbraw/zinc/84/48/81/723844881.db2.gz PUAPVFLJWRJCBU-VURMDHGXSA-N 0 3 333.388 2.679 10 5 EFBEHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC([C@H]2COC(=O)N2)CC1 ZINC000897021714 723953482 /nfs/dbraw/zinc/95/34/82/723953482.db2.gz ACPVACOPBFGKOT-JZUUQJBKSA-N 0 3 345.399 2.819 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC2(CC1)COCCO2 ZINC000895696027 724267322 /nfs/dbraw/zinc/26/73/22/724267322.db2.gz MGRUWYLYOAQZMA-PTNGSMBKSA-N 0 3 332.400 2.880 10 5 EFBEHN COc1cc(CN2CC[C@@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000895848559 724349506 /nfs/dbraw/zinc/34/95/06/724349506.db2.gz ZZGSQECGHDXDOL-DOMZBBRYSA-N 0 3 336.388 2.613 10 5 EFBEHN C[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)N1CCCCCC1 ZINC000911475846 727543828 /nfs/dbraw/zinc/54/38/28/727543828.db2.gz LPBSBVVPNMWISM-LLVKDONJSA-N 0 3 341.358 2.754 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)cc1CNC1(CO)Cc2ccccc2C1 ZINC000746674348 1126107080 /nfs/dbraw/zinc/10/70/80/1126107080.db2.gz VFHIAWINBZUKSW-UHFFFAOYSA-N 0 3 332.787 2.868 10 5 EFBEHN CCC(=O)NC1(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001571667622 1087032406 /nfs/dbraw/zinc/03/24/06/1087032406.db2.gz QWZNGUSBEULTQA-UHFFFAOYSA-N 0 3 331.416 2.866 10 5 EFBEHN CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001648650105 1092244578 /nfs/dbraw/zinc/24/45/78/1092244578.db2.gz UFMNERPAAFIJMG-OLZOCXBDSA-N 0 3 337.445 2.991 10 5 EFBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)C2CCCCC2)n1 ZINC001584968678 1092341045 /nfs/dbraw/zinc/34/10/45/1092341045.db2.gz YHXZSVFDZJOCFV-UHFFFAOYSA-N 0 3 334.420 2.635 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(F)cc1 ZINC001267462767 1094617583 /nfs/dbraw/zinc/61/75/83/1094617583.db2.gz NXUKKLVIRXEKHC-UHFFFAOYSA-N 0 3 345.374 2.525 10 5 EFBEHN Cc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)c(N)c1[N+](=O)[O-] ZINC001603046761 1096425337 /nfs/dbraw/zinc/42/53/37/1096425337.db2.gz XMTWPAGUUPYWGU-CQSZACIVSA-N 0 3 332.404 2.831 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)/C=C\c1ccco1 ZINC001268428455 1096586035 /nfs/dbraw/zinc/58/60/35/1096586035.db2.gz GNKIRNBALBRTGB-KTKRTIGZSA-N 0 3 343.383 2.839 10 5 EFBEHN O=C(NCCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC001482035948 1097136134 /nfs/dbraw/zinc/13/61/34/1097136134.db2.gz QKOUHQRRZSSRFO-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1occc1Cl ZINC001268588789 1097308035 /nfs/dbraw/zinc/30/80/35/1097308035.db2.gz VMAPGKBZSJVJOA-UPHRSURJSA-N 0 3 349.774 2.917 10 5 EFBEHN CC(C)N1CCC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001611178121 1098987844 /nfs/dbraw/zinc/98/78/44/1098987844.db2.gz PZOMVEYRQACGNI-NSHDSACASA-N 0 3 343.786 2.990 10 5 EFBEHN C[C@H]1CCCN(C(C)(C)CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC001611908496 1099039139 /nfs/dbraw/zinc/03/91/39/1099039139.db2.gz HXCCQXVCPNHSHC-NSHDSACASA-N 0 3 326.828 2.988 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)N1CCCCC1 ZINC001618046327 1099275149 /nfs/dbraw/zinc/27/51/49/1099275149.db2.gz UCWRATCWYPNHAY-UHFFFAOYSA-N 0 3 349.431 2.988 10 5 EFBEHN CC(C)N1CCC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001624762357 1099727579 /nfs/dbraw/zinc/72/75/79/1099727579.db2.gz ZUFVBTRBURLDOP-CYBMUJFWSA-N 0 3 330.388 2.679 10 5 EFBEHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001627307399 1099980627 /nfs/dbraw/zinc/98/06/27/1099980627.db2.gz GKDBJEXIZUSPAB-UHFFFAOYSA-N 0 3 334.420 2.636 10 5 EFBEHN COc1cc(CN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001629508422 1100218197 /nfs/dbraw/zinc/21/81/97/1100218197.db2.gz DHLGXEDPZBHSFZ-UHFFFAOYSA-N 0 3 344.371 2.621 10 5 EFBEHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001631820173 1100430956 /nfs/dbraw/zinc/43/09/56/1100430956.db2.gz QTNHEABRLOFSLN-UHFFFAOYSA-N 0 3 328.372 2.799 10 5 EFBEHN CN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC001635954900 1100689570 /nfs/dbraw/zinc/68/95/70/1100689570.db2.gz SMTLZPMEMHKBDS-UHFFFAOYSA-N 0 3 331.416 2.614 10 5 EFBEHN Cc1ncsc1CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001642106061 1101190554 /nfs/dbraw/zinc/19/05/54/1101190554.db2.gz VLCZRSGOVSORTP-CYBMUJFWSA-N 0 3 347.444 2.874 10 5 EFBEHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001652233782 1101457153 /nfs/dbraw/zinc/45/71/53/1101457153.db2.gz BKVGKVPRTIIMKN-LBPRGKRZSA-N 0 3 334.376 2.956 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001652491551 1101499991 /nfs/dbraw/zinc/49/99/91/1101499991.db2.gz LJNVOVJUBVARBK-GDBMZVCRSA-N 0 3 333.432 2.620 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)o1 ZINC001266640940 1101631126 /nfs/dbraw/zinc/63/11/26/1101631126.db2.gz ITCWMSOEQJROHG-UHFFFAOYSA-N 0 3 337.763 2.703 10 5 EFBEHN CC(F)(F)CC(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001656156758 1101979970 /nfs/dbraw/zinc/97/99/70/1101979970.db2.gz DGBCFYUARMWZHR-BJHJDKERSA-N 0 3 341.358 2.625 10 5 EFBEHN CN(CCCC(=O)OC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001656392384 1102046984 /nfs/dbraw/zinc/04/69/84/1102046984.db2.gz VPIHHKAFDBPNOL-OAHLLOKOSA-N 0 3 338.404 2.682 10 5 EFBEHN CN(CCCNC(=O)C1(CF)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001660305322 1102680051 /nfs/dbraw/zinc/68/00/51/1102680051.db2.gz GXVHEPZEMCRNDY-UHFFFAOYSA-N 0 3 337.395 2.673 10 5 EFBEHN C/C(=C\C(=O)N(C)CCCNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC001483454029 1103738782 /nfs/dbraw/zinc/73/87/82/1103738782.db2.gz KEXAMZSJSWOKRH-XYOKQWHBSA-N 0 3 337.445 2.951 10 5 EFBEHN CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1[O-] ZINC001483452900 1103746214 /nfs/dbraw/zinc/74/62/14/1103746214.db2.gz MZJPLQMKBLOIOZ-UHFFFAOYSA-N 0 3 343.383 2.552 10 5 EFBEHN Cc1ccc(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001668691768 1105350756 /nfs/dbraw/zinc/35/07/56/1105350756.db2.gz RRFYHSLOTZELLR-NSCUHMNNSA-N 0 3 329.356 2.572 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1sccc1F ZINC001483004794 1105522706 /nfs/dbraw/zinc/52/27/06/1105522706.db2.gz VUMJDDNOXRANSQ-OWOJBTEDSA-N 0 3 349.387 2.871 10 5 EFBEHN Cc1c(C(=O)N[C@H](CN(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000052554887 214133456 /nfs/dbraw/zinc/13/34/56/214133456.db2.gz HRHUZCQBJLTAPM-MRXNPFEDSA-N 0 3 327.384 2.936 10 5 EFBEHN Cc1nccn1C[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000178297079 232129048 /nfs/dbraw/zinc/12/90/48/232129048.db2.gz MBNXTYMYNCFPCF-OAHLLOKOSA-N 0 3 330.388 2.643 10 5 EFBEHN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCN2CCC[C@H]2C1 ZINC000178545357 232247985 /nfs/dbraw/zinc/24/79/85/232247985.db2.gz DOJNEOGPCCTSLL-LBPRGKRZSA-N 0 3 343.305 2.534 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000067457400 215148672 /nfs/dbraw/zinc/14/86/72/215148672.db2.gz MZQCCVFWFIFHNF-CABCVRRESA-N 0 3 333.432 2.841 10 5 EFBEHN Cc1ccc(CNCCc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000067698084 215189786 /nfs/dbraw/zinc/18/97/86/215189786.db2.gz YDPRVXILROWYQC-UHFFFAOYSA-N 0 3 329.404 2.553 10 5 EFBEHN COc1ccccc1[C@@H]1CNCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261785510 240325277 /nfs/dbraw/zinc/32/52/77/240325277.db2.gz PTDVZLINQHGMED-KRWDZBQOSA-N 0 3 327.384 2.750 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000412136985 243162628 /nfs/dbraw/zinc/16/26/28/243162628.db2.gz VQZZLWYIUKZOAZ-VDNDLQMASA-N 0 3 331.416 2.639 10 5 EFBEHN COC(=O)COc1ccc(CN2CC(C)(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000414519412 244208737 /nfs/dbraw/zinc/20/87/37/244208737.db2.gz BCBFDSCEJURGBI-GFCCVEGCSA-N 0 3 336.388 2.767 10 5 EFBEHN Cc1c(NC(=O)NCCCNCc2cccnc2)cccc1[N+](=O)[O-] ZINC000414693068 244295046 /nfs/dbraw/zinc/29/50/46/244295046.db2.gz DIIGQAFEEAWXHO-UHFFFAOYSA-N 0 3 343.387 2.600 10 5 EFBEHN Cc1ccc(NC(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000414667477 244283500 /nfs/dbraw/zinc/28/35/00/244283500.db2.gz XWUUXTKQSOODSY-UHFFFAOYSA-N 0 3 343.387 2.600 10 5 EFBEHN CC(C)(NC(=O)NC[C@H](N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000418433577 245157379 /nfs/dbraw/zinc/15/73/79/245157379.db2.gz UHTIIDMCJOXGQP-INIZCTEOSA-N 0 3 342.399 2.829 10 5 EFBEHN CCOC(=O)c1ccnc(SCCN(CC)CC)c1[N+](=O)[O-] ZINC000081006176 217349330 /nfs/dbraw/zinc/34/93/30/217349330.db2.gz GGUICFQUFPQQRD-UHFFFAOYSA-N 0 3 327.406 2.600 10 5 EFBEHN CN(C[C@H]1CCCN1C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000421711085 246076043 /nfs/dbraw/zinc/07/60/43/246076043.db2.gz NQTKTNXDTXTNFS-SNVBAGLBSA-N 0 3 345.321 2.780 10 5 EFBEHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](N2CCCCC2)C1 ZINC000264465853 246533913 /nfs/dbraw/zinc/53/39/13/246533913.db2.gz FMZSFOCSWCFHBN-CQSZACIVSA-N 0 3 342.399 2.777 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](c3nnc[nH]3)C2)o1 ZINC000425355551 247055304 /nfs/dbraw/zinc/05/53/04/247055304.db2.gz MLFLFPMJFVTAMI-GFCCVEGCSA-N 0 3 339.355 2.962 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](c4nnc[nH]4)C3)o2)c1 ZINC000425358746 247058994 /nfs/dbraw/zinc/05/89/94/247058994.db2.gz RJDGMIMZVCQBDF-CYBMUJFWSA-N 0 3 339.355 2.962 10 5 EFBEHN COC[C@](C)(O)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449382613 251004500 /nfs/dbraw/zinc/00/45/00/251004500.db2.gz CWYXCFYFKWILFT-QGZVFWFLSA-N 0 3 334.372 2.732 10 5 EFBEHN COc1cc(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000449494179 251042903 /nfs/dbraw/zinc/04/29/03/251042903.db2.gz MXTRXULWHCHTGZ-LRDDRELGSA-N 0 3 338.404 2.850 10 5 EFBEHN COc1cc(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000449494178 251043158 /nfs/dbraw/zinc/04/31/58/251043158.db2.gz MXTRXULWHCHTGZ-BLLLJJGKSA-N 0 3 338.404 2.850 10 5 EFBEHN Cc1nc(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC000450347095 251354962 /nfs/dbraw/zinc/35/49/62/251354962.db2.gz GVMNLPBMUGPTGP-WFASDCNBSA-N 0 3 347.444 2.672 10 5 EFBEHN CCN1CCN(c2cccc(Nc3ccc([N+](=O)[O-])nc3)c2)CC1 ZINC000450459212 251394495 /nfs/dbraw/zinc/39/44/95/251394495.db2.gz KAJWPNRDORRGGJ-UHFFFAOYSA-N 0 3 327.388 2.875 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000174122747 533223604 /nfs/dbraw/zinc/22/36/04/533223604.db2.gz UVYSJHDEOMVZKN-NEPJUHHUSA-N 0 3 336.392 2.550 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000344844764 533408285 /nfs/dbraw/zinc/40/82/85/533408285.db2.gz CHUXRPCQKVQMEI-KGHDJLKFSA-N 0 3 329.400 2.597 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000158423608 533588776 /nfs/dbraw/zinc/58/87/76/533588776.db2.gz CRFATLYMZVHSDA-PWSUYJOCSA-N 0 3 325.796 2.803 10 5 EFBEHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000344630628 142052037 /nfs/dbraw/zinc/05/20/37/142052037.db2.gz WQQBSIHZFCJOME-INIZCTEOSA-N 0 3 344.415 2.926 10 5 EFBEHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccsc1 ZINC000349316296 142319739 /nfs/dbraw/zinc/31/97/39/142319739.db2.gz WMVFENZSDYKOOJ-XHDPSFHLSA-N 0 3 349.412 2.697 10 5 EFBEHN COC1CCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000341312588 145031315 /nfs/dbraw/zinc/03/13/15/145031315.db2.gz XXPFZKVFXGPTLV-UHFFFAOYSA-N 0 3 349.431 2.522 10 5 EFBEHN CCCN(CCN1CCCC1)C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000342261410 145089586 /nfs/dbraw/zinc/08/95/86/145089586.db2.gz JSHBRKNRROPLQY-UHFFFAOYSA-N 0 3 349.431 2.942 10 5 EFBEHN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CC=CCC1 ZINC000344063905 145359183 /nfs/dbraw/zinc/35/91/83/145359183.db2.gz OFZFRDCOTCVWEC-CQSZACIVSA-N 0 3 329.400 2.772 10 5 EFBEHN COC(=O)COc1ccc(CNC2C(C)(C)C2(C)C)cc1[N+](=O)[O-] ZINC000349188169 146063365 /nfs/dbraw/zinc/06/33/65/146063365.db2.gz LGCHJJSEDQKKGO-UHFFFAOYSA-N 0 3 336.388 2.671 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN(CCN(C)C)Cc1ccccn1 ZINC000349302487 146077701 /nfs/dbraw/zinc/07/77/01/146077701.db2.gz XBIWWNKLWKCFEB-UHFFFAOYSA-N 0 3 328.416 2.862 10 5 EFBEHN Cc1c(CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000359545300 148117860 /nfs/dbraw/zinc/11/78/60/148117860.db2.gz RWWPAOYXOTXHMF-WFASDCNBSA-N 0 3 334.420 2.527 10 5 EFBEHN Cc1c(CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000359545297 148118226 /nfs/dbraw/zinc/11/82/26/148118226.db2.gz RWWPAOYXOTXHMF-IUODEOHRSA-N 0 3 334.420 2.527 10 5 EFBEHN Cc1cc(N2CCO[C@H](C(=O)C3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000359632173 148146034 /nfs/dbraw/zinc/14/60/34/148146034.db2.gz KOWQGLWDSZFOCK-KRWDZBQOSA-N 0 3 341.367 2.636 10 5 EFBEHN COc1cnccc1N1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000360090354 148268986 /nfs/dbraw/zinc/26/89/86/148268986.db2.gz PGJHYUQOKIJPHZ-UHFFFAOYSA-N 0 3 346.362 2.773 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN(C)Cc2ccccc2)c1 ZINC000360142900 148282953 /nfs/dbraw/zinc/28/29/53/148282953.db2.gz GOQCUPHYKODCKM-UHFFFAOYSA-N 0 3 343.383 2.925 10 5 EFBEHN O=C(NC1CC(N2CCCCC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000365426126 149394909 /nfs/dbraw/zinc/39/49/09/149394909.db2.gz LDGSKPUWBNJRCO-UHFFFAOYSA-N 0 3 337.807 2.995 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000368151211 150051175 /nfs/dbraw/zinc/05/11/75/150051175.db2.gz ZHHFHCKZOPOUJL-YJBOKZPZSA-N 0 3 327.384 2.588 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000368484833 150129585 /nfs/dbraw/zinc/12/95/85/150129585.db2.gz CKQGJBFYHGKOLQ-INIZCTEOSA-N 0 3 327.384 2.933 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000374028016 151270231 /nfs/dbraw/zinc/27/02/31/151270231.db2.gz VKSNPHPTVLILLC-CQSZACIVSA-N 0 3 328.372 2.643 10 5 EFBEHN CCc1nnc(C2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)[nH]1 ZINC000374551470 151368501 /nfs/dbraw/zinc/36/85/01/151368501.db2.gz TZZIDRPEBJQUDE-UHFFFAOYSA-N 0 3 333.367 2.794 10 5 EFBEHN Cc1ccc([C@@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000374595400 151377612 /nfs/dbraw/zinc/37/76/12/151377612.db2.gz PAUMXTNNCIUCHY-MRXNPFEDSA-N 0 3 339.395 2.992 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000245524389 292296605 /nfs/dbraw/zinc/29/66/05/292296605.db2.gz NMVKYIIXOKHCQF-VKJFTORMSA-N 0 3 333.432 2.617 10 5 EFBEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160101359 225338851 /nfs/dbraw/zinc/33/88/51/225338851.db2.gz FTMNMCXTQRNXOF-SNVBAGLBSA-N 0 3 346.309 2.781 10 5 EFBEHN CSc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123115618 222218475 /nfs/dbraw/zinc/21/84/75/222218475.db2.gz GHLJXRPZVJUPOA-AAEUAGOBSA-N 0 3 337.445 2.871 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000124234496 222396265 /nfs/dbraw/zinc/39/62/65/222396265.db2.gz AKOGSLIZMIAQOT-PWSUYJOCSA-N 0 3 325.796 2.803 10 5 EFBEHN COc1cc(CNC[C@@H]2C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272438392 266265934 /nfs/dbraw/zinc/26/59/34/266265934.db2.gz OHUDAYZXSGHHIF-ZJUUUORDSA-N 0 3 330.331 2.993 10 5 EFBEHN CN(C)C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCO1 ZINC000272594918 266319266 /nfs/dbraw/zinc/31/92/66/266319266.db2.gz WZYUYEPHFIAJTE-JTQLQIEISA-N 0 3 334.203 2.668 10 5 EFBEHN COc1ccccc1[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272914860 266414171 /nfs/dbraw/zinc/41/41/71/266414171.db2.gz HIALLCURJAZCGY-UONOGXRCSA-N 0 3 346.383 2.694 10 5 EFBEHN COc1cccc(N2C[C@H](SC)[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000275390831 266797418 /nfs/dbraw/zinc/79/74/18/266797418.db2.gz CJKXADUMXSUDBO-ZFWWWQNUSA-N 0 3 337.445 2.619 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CCN(C2CC2)CC1 ZINC000276683072 267034866 /nfs/dbraw/zinc/03/48/66/267034866.db2.gz PBOLPBJWKHETIY-UHFFFAOYSA-N 0 3 337.807 2.913 10 5 EFBEHN COc1cc(NCCCN2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000277745947 267251440 /nfs/dbraw/zinc/25/14/40/267251440.db2.gz UQJTYIIDMDDZRB-GFCCVEGCSA-N 0 3 341.383 2.655 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000247355615 273074521 /nfs/dbraw/zinc/07/45/21/273074521.db2.gz OGNYNRNUALONIR-BXUZGUMPSA-N 0 3 337.445 2.775 10 5 EFBEHN O=C1C[C@@]2(CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)CN1 ZINC000279384515 273209515 /nfs/dbraw/zinc/20/95/15/273209515.db2.gz JNDZWGGZKZNDRC-SFHVURJKSA-N 0 3 341.367 2.567 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000280280993 273310809 /nfs/dbraw/zinc/31/08/09/273310809.db2.gz DOOBRRSRHLHYGK-STQMWFEESA-N 0 3 335.404 2.548 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000280280977 273310863 /nfs/dbraw/zinc/31/08/63/273310863.db2.gz DOOBRRSRHLHYGK-CHWSQXEVSA-N 0 3 335.404 2.548 10 5 EFBEHN CC(C)(C)[C@H](O)C[C@@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000284279099 273818421 /nfs/dbraw/zinc/81/84/21/273818421.db2.gz JSJPCFMYECZKGF-IAOVAPTHSA-N 0 3 336.432 2.720 10 5 EFBEHN C[C@@H]1CCCCN1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286123999 274138389 /nfs/dbraw/zinc/13/83/89/274138389.db2.gz MOLZRCIRPZGOKR-LLVKDONJSA-N 0 3 331.376 2.530 10 5 EFBEHN C[C@@H]1C[C@@H]1N1C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000447588483 274397371 /nfs/dbraw/zinc/39/73/71/274397371.db2.gz VBABQASRETYUDD-KVPRVUCYSA-N 0 3 329.400 2.571 10 5 EFBEHN C[C@@H]1C[C@@H]1N1C[C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433289367 274397422 /nfs/dbraw/zinc/39/74/22/274397422.db2.gz OQEWZWMPCXTWOF-YIFBXAAPSA-N 0 3 343.427 2.916 10 5 EFBEHN C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000355791790 274399522 /nfs/dbraw/zinc/39/95/22/274399522.db2.gz ZVLZQLCXCWDRRO-HZSPNIEDSA-N 0 3 331.416 2.850 10 5 EFBEHN C[C@H]1C[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289651798 274798308 /nfs/dbraw/zinc/79/83/08/274798308.db2.gz YJIYKRYMMTUYCH-CPCISQLKSA-N 0 3 332.141 2.697 10 5 EFBEHN CN1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000247976434 277136301 /nfs/dbraw/zinc/13/63/01/277136301.db2.gz GMGGGULPMSXVNC-IEBWSBKVSA-N 0 3 339.395 2.699 10 5 EFBEHN COc1cnccc1N1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000357665883 278076722 /nfs/dbraw/zinc/07/67/22/278076722.db2.gz YEDPBTGNLFXNDY-UHFFFAOYSA-N 0 3 328.372 2.633 10 5 EFBEHN Cc1sc(C(=O)N(C)C(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000416098697 294069636 /nfs/dbraw/zinc/06/96/36/294069636.db2.gz SQYOTBQCLTZFQI-UHFFFAOYSA-N 0 3 325.434 2.911 10 5 EFBEHN CO[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000290579695 294125717 /nfs/dbraw/zinc/12/57/17/294125717.db2.gz PJIVFLOVHCGARQ-KXUCPTDWSA-N 0 3 329.784 2.588 10 5 EFBEHN CN(C)CCOc1ccccc1-c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000291112910 294279837 /nfs/dbraw/zinc/27/98/37/294279837.db2.gz SYUJPKAGCBPPEW-UHFFFAOYSA-N 0 3 348.403 2.665 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1CN1CCCC1 ZINC000186787961 295027787 /nfs/dbraw/zinc/02/77/87/295027787.db2.gz GWPLTFRAYUHHOS-AWEZNQCLSA-N 0 3 348.403 2.696 10 5 EFBEHN C[C@H](N[C@@H]1CCOC1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000295207172 295282462 /nfs/dbraw/zinc/28/24/62/295282462.db2.gz LQVBGUKRQUEKIT-TVQRCGJNSA-N 0 3 341.795 2.732 10 5 EFBEHN C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN(C2CC2)C1 ZINC000295301356 295296493 /nfs/dbraw/zinc/29/64/93/295296493.db2.gz JLYSCOAMUFMEHN-GFCCVEGCSA-N 0 3 342.399 2.632 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295735044 295368108 /nfs/dbraw/zinc/36/81/08/295368108.db2.gz WETRAYHNCWESOK-IJEWVQPXSA-N 0 3 339.395 2.937 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166553612 310733325 /nfs/dbraw/zinc/73/33/25/310733325.db2.gz DOJCYUXPIRNTAH-HUUCEWRRSA-N 0 3 343.431 2.956 10 5 EFBEHN COc1ccccc1[C@@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299378573 311078654 /nfs/dbraw/zinc/07/86/54/311078654.db2.gz GHCSUGMVUXGNNT-UKRRQHHQSA-N 0 3 346.383 2.694 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000299569717 311098166 /nfs/dbraw/zinc/09/81/66/311098166.db2.gz CAYAAIMOPNPNIW-QGZVFWFLSA-N 0 3 327.384 2.936 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CC[C@H](OCCN3CCCCC3)C2)c(F)c1 ZINC000301731482 311155539 /nfs/dbraw/zinc/15/55/39/311155539.db2.gz DTYLLXKLCZNZFR-HNNXBMFYSA-N 0 3 337.395 2.815 10 5 EFBEHN Cc1ccc(N2CC[C@H](OCCN3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000301815884 311160358 /nfs/dbraw/zinc/16/03/58/311160358.db2.gz IWYVAPNPKLWKIF-INIZCTEOSA-N 0 3 333.432 2.984 10 5 EFBEHN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](O)CN1CCCCC1 ZINC000302695141 311196955 /nfs/dbraw/zinc/19/69/55/311196955.db2.gz SOVVUYQXQQTUDO-CYBMUJFWSA-N 0 3 327.812 2.815 10 5 EFBEHN CCc1ccccc1[C@@H](N)CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000423973174 312492407 /nfs/dbraw/zinc/49/24/07/312492407.db2.gz JNWPFZTYAYRPDC-INIZCTEOSA-N 0 3 343.383 2.596 10 5 EFBEHN COC(=O)COc1ccc(CN2CC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000475714851 313225084 /nfs/dbraw/zinc/22/50/84/313225084.db2.gz JUZNCAAYHRFYMF-AWEZNQCLSA-N 0 3 336.388 2.625 10 5 EFBEHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1)N(C)C ZINC000526952017 316309962 /nfs/dbraw/zinc/30/99/62/316309962.db2.gz OGCODPFNUCTWRJ-SUMWQHHRSA-N 0 3 342.399 2.719 10 5 EFBEHN C[C@@H](Cc1ccccc1)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000547845206 318047923 /nfs/dbraw/zinc/04/79/23/318047923.db2.gz KNGILDTVZDAGBB-INIZCTEOSA-N 0 3 340.427 2.991 10 5 EFBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1C[C@H]1c1cccc(F)c1 ZINC000562985074 318722421 /nfs/dbraw/zinc/72/24/21/318722421.db2.gz GTMNHNUOBRANEN-PMPSAXMXSA-N 0 3 346.358 2.619 10 5 EFBEHN Cc1cc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(C)c(C)n1 ZINC000565221023 318948217 /nfs/dbraw/zinc/94/82/17/318948217.db2.gz INUBEQKGUFCPEO-UHFFFAOYSA-N 0 3 341.367 2.883 10 5 EFBEHN CC(C)N(CCN1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000565909554 319014458 /nfs/dbraw/zinc/01/44/58/319014458.db2.gz KUWMOHUBAXAQEC-UHFFFAOYSA-N 0 3 334.420 2.716 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](CO)C[C@H](O)C(C)(C)C ZINC000568636080 319304160 /nfs/dbraw/zinc/30/41/60/319304160.db2.gz YLFATZXILPVEDE-ZJTAJZJASA-N 0 3 336.432 2.746 10 5 EFBEHN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000572345069 319659762 /nfs/dbraw/zinc/65/97/62/319659762.db2.gz RDFYCRPKYXYQMH-HNNXBMFYSA-N 0 3 348.790 2.676 10 5 EFBEHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000577090517 320077302 /nfs/dbraw/zinc/07/73/02/320077302.db2.gz GJEIZXQTZZUTEC-CYBMUJFWSA-N 0 3 335.404 2.550 10 5 EFBEHN CC(C)(CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000183642201 323344494 /nfs/dbraw/zinc/34/44/94/323344494.db2.gz IFVQIXOZMXKITF-MRXNPFEDSA-N 0 3 327.384 2.785 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000124572868 473265226 /nfs/dbraw/zinc/26/52/26/473265226.db2.gz YNDLMYCBWJDULQ-PWSUYJOCSA-N 0 3 325.796 2.803 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000177033086 473289973 /nfs/dbraw/zinc/28/99/73/473289973.db2.gz ISBYVYPSUARMDB-ZDUSSCGKSA-N 0 3 330.388 2.632 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000177036935 473291484 /nfs/dbraw/zinc/29/14/84/473291484.db2.gz CJKDDEIBKCKGRK-LBPRGKRZSA-N 0 3 337.445 2.873 10 5 EFBEHN CCc1nc(C2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000190654091 473347155 /nfs/dbraw/zinc/34/71/55/473347155.db2.gz SVBUVTABBWPHGI-UHFFFAOYSA-N 0 3 329.404 2.963 10 5 EFBEHN CCc1n[nH]c(C2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000190654091 473347160 /nfs/dbraw/zinc/34/71/60/473347160.db2.gz SVBUVTABBWPHGI-UHFFFAOYSA-N 0 3 329.404 2.963 10 5 EFBEHN CCc1nnc(C2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)[nH]1 ZINC000190654091 473347169 /nfs/dbraw/zinc/34/71/69/473347169.db2.gz SVBUVTABBWPHGI-UHFFFAOYSA-N 0 3 329.404 2.963 10 5 EFBEHN COC[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000593673078 479418375 /nfs/dbraw/zinc/41/83/75/479418375.db2.gz VAQYSMLAWANMGP-LSDHHAIUSA-N 0 3 348.424 2.905 10 5 EFBEHN Cc1ccc([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000076082590 472263514 /nfs/dbraw/zinc/26/35/14/472263514.db2.gz QTGDPSDIACEXHL-ZWKOTPCHSA-N 0 3 344.415 2.606 10 5 EFBEHN COCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000068911199 472264150 /nfs/dbraw/zinc/26/41/50/472264150.db2.gz YZVKZBKNHVJWFM-CYBMUJFWSA-N 0 3 330.388 2.666 10 5 EFBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056347438 472309722 /nfs/dbraw/zinc/30/97/22/472309722.db2.gz BEPUZIYWAWSLEA-MRXNPFEDSA-N 0 3 342.399 2.889 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1ccco1 ZINC000088229819 472350012 /nfs/dbraw/zinc/35/00/12/472350012.db2.gz BDBLQAITXDRQSV-UHFFFAOYSA-N 0 3 331.372 2.700 10 5 EFBEHN O=[N+]([O-])c1ccc(Nc2cccc(CN3CCC(O)CC3)c2)nc1 ZINC000069582157 472374161 /nfs/dbraw/zinc/37/41/61/472374161.db2.gz NJTYZGLTRCPAJD-UHFFFAOYSA-N 0 3 328.372 2.690 10 5 EFBEHN CCN1CCC(N(Cn2ncc3ccc([N+](=O)[O-])cc32)C2CC2)CC1 ZINC000057105496 472382166 /nfs/dbraw/zinc/38/21/66/472382166.db2.gz QCUBPMOSHALUKG-UHFFFAOYSA-N 0 3 343.431 2.851 10 5 EFBEHN CC(C)CC[C@@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000077455927 472530382 /nfs/dbraw/zinc/53/03/82/472530382.db2.gz YDYWHTBPGDWWFM-QGZVFWFLSA-N 0 3 338.404 2.643 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000155477937 472554897 /nfs/dbraw/zinc/55/48/97/472554897.db2.gz DIAILHNCTWESFS-MFKMUULPSA-N 0 3 325.796 2.707 10 5 EFBEHN CC(C)N1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155486755 472555945 /nfs/dbraw/zinc/55/59/45/472555945.db2.gz WJNYBVKVXMYILK-JQWIXIFHSA-N 0 3 325.796 2.707 10 5 EFBEHN C[C@H](CN1CCCCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130074287 472583020 /nfs/dbraw/zinc/58/30/20/472583020.db2.gz PYYIORVCFDCIJD-GFCCVEGCSA-N 0 3 330.388 2.680 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000155632039 472584463 /nfs/dbraw/zinc/58/44/63/472584463.db2.gz FDHLZTJTCKRDQY-DOMZBBRYSA-N 0 3 337.445 2.532 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000155701609 472598215 /nfs/dbraw/zinc/59/82/15/472598215.db2.gz OSESNFCTVOMORX-YGRLFVJLSA-N 0 3 325.796 2.707 10 5 EFBEHN CC[C@H](NC(=O)NC[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090563041 472637339 /nfs/dbraw/zinc/63/73/39/472637339.db2.gz CYICFDIPQFUSAT-CJNGLKHVSA-N 0 3 334.420 2.687 10 5 EFBEHN C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(C)CC1 ZINC000155985455 472651454 /nfs/dbraw/zinc/65/14/54/472651454.db2.gz MYSYTNSJLAQZAN-ZDUSSCGKSA-N 0 3 344.415 2.926 10 5 EFBEHN CCOCCN1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1CC ZINC000105838331 472786459 /nfs/dbraw/zinc/78/64/59/472786459.db2.gz RHCTWHGJZGOPFO-KRWDZBQOSA-N 0 3 335.448 2.570 10 5 EFBEHN CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000121171941 472810328 /nfs/dbraw/zinc/81/03/28/472810328.db2.gz DERXHKVVXGOLBZ-UHFFFAOYSA-N 0 3 348.428 2.945 10 5 EFBEHN CN(C)CCn1cc(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)cn1 ZINC000092627923 472948234 /nfs/dbraw/zinc/94/82/34/472948234.db2.gz IXABCEFQBUHUFH-UHFFFAOYSA-N 0 3 341.318 2.698 10 5 EFBEHN COCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092649482 472950871 /nfs/dbraw/zinc/95/08/71/472950871.db2.gz CNOWAWUBLHPFLY-LBPRGKRZSA-N 0 3 345.346 2.719 10 5 EFBEHN Cc1cc([N+](=O)[O-])cnc1Nc1cnn(CCN2CCCCC2)c1 ZINC000092978330 473016643 /nfs/dbraw/zinc/01/66/43/473016643.db2.gz QTDZICXBUCFVEW-UHFFFAOYSA-N 0 3 330.392 2.724 10 5 EFBEHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000136890801 473183090 /nfs/dbraw/zinc/18/30/90/473183090.db2.gz SCIMCURMUISLJS-MLGOLLRUSA-N 0 3 344.367 2.750 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177702964 473419301 /nfs/dbraw/zinc/41/93/01/473419301.db2.gz YAGXEXPPTOCTBV-OAHLLOKOSA-N 0 3 345.403 2.561 10 5 EFBEHN CCO[C@@H]1C[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000185651537 473478230 /nfs/dbraw/zinc/47/82/30/473478230.db2.gz MDEPUHHPIJYDLT-IAGOWNOFSA-N 0 3 334.416 2.967 10 5 EFBEHN CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2C)C12CCOCC2 ZINC000185654028 473479832 /nfs/dbraw/zinc/47/98/32/473479832.db2.gz VUNNDIKPBVNEKP-IAGOWNOFSA-N 0 3 334.416 2.967 10 5 EFBEHN CCO[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C12CCOCC2 ZINC000185655865 473480996 /nfs/dbraw/zinc/48/09/96/473480996.db2.gz RTBQDDHUYBIOBR-STQMWFEESA-N 0 3 326.418 2.720 10 5 EFBEHN Cc1c([C@H](C)N[C@@H]2CCCN(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000166554664 473527558 /nfs/dbraw/zinc/52/75/58/473527558.db2.gz BCEGUYWDFFCAIZ-LSDHHAIUSA-N 0 3 343.431 2.956 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000172415725 473604061 /nfs/dbraw/zinc/60/40/61/473604061.db2.gz WDJOZDHXKDAMJK-UHFFFAOYSA-N 0 3 331.416 2.994 10 5 EFBEHN C[C@@H](N[C@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192810263 473729129 /nfs/dbraw/zinc/72/91/29/473729129.db2.gz YBOIYMWIXVPBHL-HIFRSBDPSA-N 0 3 327.388 2.704 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000186787948 473756645 /nfs/dbraw/zinc/75/66/45/473756645.db2.gz GWPLTFRAYUHHOS-CQSZACIVSA-N 0 3 348.403 2.696 10 5 EFBEHN CSc1cccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000186795235 473758649 /nfs/dbraw/zinc/75/86/49/473758649.db2.gz BULLGCQQHRQPKM-AAEUAGOBSA-N 0 3 337.445 2.775 10 5 EFBEHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000246232102 473801151 /nfs/dbraw/zinc/80/11/51/473801151.db2.gz HZIHBVUPYCMUJN-XHDPSFHLSA-N 0 3 337.807 2.805 10 5 EFBEHN CC(C)N1CCC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000274420645 473816999 /nfs/dbraw/zinc/81/69/99/473816999.db2.gz DGVCORWRHNZHQW-GFCCVEGCSA-N 0 3 330.388 2.679 10 5 EFBEHN CC(=O)NC1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000263733993 473826191 /nfs/dbraw/zinc/82/61/91/473826191.db2.gz YVIJALISVWVLQH-UHFFFAOYSA-N 0 3 325.796 2.785 10 5 EFBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000246557273 473901695 /nfs/dbraw/zinc/90/16/95/473901695.db2.gz WJNYBVKVXMYILK-CMPLNLGQSA-N 0 3 325.796 2.707 10 5 EFBEHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1CN(C)C ZINC000263914822 473904024 /nfs/dbraw/zinc/90/40/24/473904024.db2.gz LZPFSTMYZNPLGJ-OCCSQVGLSA-N 0 3 337.445 2.628 10 5 EFBEHN NC(=O)c1coc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000187723453 473909700 /nfs/dbraw/zinc/90/97/00/473909700.db2.gz GDWCPMVZTMWSEL-MLGOLLRUSA-N 0 3 343.383 2.788 10 5 EFBEHN O=[N+]([O-])c1ccccc1OCCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188088971 473978845 /nfs/dbraw/zinc/97/88/45/473978845.db2.gz QVQQVPYCDVIRRB-GJZGRUSLSA-N 0 3 348.424 2.743 10 5 EFBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000246945567 474012440 /nfs/dbraw/zinc/01/24/40/474012440.db2.gz LEUXXGGPDVAYEI-KBPBESRZSA-N 0 3 337.807 2.947 10 5 EFBEHN CCOc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)cc1[N+](=O)[O-] ZINC000246955487 474015911 /nfs/dbraw/zinc/01/59/11/474015911.db2.gz MHEASXCMXGIACK-CABCVRRESA-N 0 3 347.415 2.692 10 5 EFBEHN Cc1cc(N2CCC[C@H]2CN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270272378 474054188 /nfs/dbraw/zinc/05/41/88/474054188.db2.gz WSHUZWJDLCXIRO-INIZCTEOSA-N 0 3 341.415 2.891 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275109622 474073246 /nfs/dbraw/zinc/07/32/46/474073246.db2.gz MVISZJIAZXXUPW-CMPLNLGQSA-N 0 3 345.321 2.656 10 5 EFBEHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000188476949 474105082 /nfs/dbraw/zinc/10/50/82/474105082.db2.gz DXGKHGFNFKPMAR-OAHLLOKOSA-N 0 3 328.796 2.779 10 5 EFBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000175436688 474219204 /nfs/dbraw/zinc/21/92/04/474219204.db2.gz GTZBFYKVRRLKSY-QWHCGFSZSA-N 0 3 337.807 2.947 10 5 EFBEHN Cn1cc(CN[C@H]2CSC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000282906543 474237881 /nfs/dbraw/zinc/23/78/81/474237881.db2.gz UQROPJROJIAZAM-AWEZNQCLSA-N 0 3 332.429 2.979 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000275745323 474303140 /nfs/dbraw/zinc/30/31/40/474303140.db2.gz COQNXZXVYVYWCS-AAEUAGOBSA-N 0 3 339.823 2.969 10 5 EFBEHN C[C@H](NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000283400901 474392873 /nfs/dbraw/zinc/39/28/73/474392873.db2.gz QHCIREKTZJUNKZ-JLJPHGGASA-N 0 3 334.416 2.813 10 5 EFBEHN COc1ccc([C@@H]2C[C@H](C)N(CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000176250225 474421372 /nfs/dbraw/zinc/42/13/72/474421372.db2.gz VMLAPKGGPZZRSJ-DZGCQCFKSA-N 0 3 330.388 2.678 10 5 EFBEHN COc1ccc([C@@H]2C[C@@H](C)N(CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000176250209 474421593 /nfs/dbraw/zinc/42/15/93/474421593.db2.gz VMLAPKGGPZZRSJ-UKRRQHHQSA-N 0 3 330.388 2.678 10 5 EFBEHN C[C@@H](NC[C@H](O)COCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266830350 474496317 /nfs/dbraw/zinc/49/63/17/474496317.db2.gz DPXWWUODADBTNL-ZBFHGGJFSA-N 0 3 330.384 2.823 10 5 EFBEHN C[C@H](NC[C@@H](O)COCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266830344 474496975 /nfs/dbraw/zinc/49/69/75/474496975.db2.gz DPXWWUODADBTNL-GOEBONIOSA-N 0 3 330.384 2.823 10 5 EFBEHN CC[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176699056 474519584 /nfs/dbraw/zinc/51/95/84/474519584.db2.gz XYGVWBQBZAUJCF-SJORKVTESA-N 0 3 344.415 2.702 10 5 EFBEHN COc1ccc(CN2C[C@H](CO)[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000249557023 474592040 /nfs/dbraw/zinc/59/20/40/474592040.db2.gz KEHKAMLYVUJTIL-HUUCEWRRSA-N 0 3 348.424 2.873 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000184763948 474602928 /nfs/dbraw/zinc/60/29/28/474602928.db2.gz RAMCVHHZOMEUCF-JKSUJKDBSA-N 0 3 333.432 2.764 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000184790465 474608580 /nfs/dbraw/zinc/60/85/80/474608580.db2.gz NWHZSQCRJQTYFP-LESCRADOSA-N 0 3 345.443 2.859 10 5 EFBEHN O=[N+]([O-])c1c(F)cccc1NC[C@H](O)CN1CCc2ccccc2C1 ZINC000267248792 474627770 /nfs/dbraw/zinc/62/77/70/474627770.db2.gz UETMNWPYDGDGAM-HNNXBMFYSA-N 0 3 345.374 2.565 10 5 EFBEHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291676915 474646715 /nfs/dbraw/zinc/64/67/15/474646715.db2.gz GSIANZBUSPWDIA-OLZOCXBDSA-N 0 3 347.337 2.809 10 5 EFBEHN Cc1cc(N2CCC[C@@H](N[C@H](C)c3cccc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000278518018 474676540 /nfs/dbraw/zinc/67/65/40/474676540.db2.gz SBKFKNWTQBNZNO-GDBMZVCRSA-N 0 3 343.431 2.956 10 5 EFBEHN C[C@@H]1CN(CCCCNc2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000267978735 474735316 /nfs/dbraw/zinc/73/53/16/474735316.db2.gz XHDASHZJRADCGZ-VXGBXAGGSA-N 0 3 342.827 2.945 10 5 EFBEHN CC[C@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000293229838 474878811 /nfs/dbraw/zinc/87/88/11/474878811.db2.gz FVSRFDNKSDOPDE-WMZOPIPTSA-N 0 3 346.431 2.783 10 5 EFBEHN CC[C@@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000293229826 474878854 /nfs/dbraw/zinc/87/88/54/474878854.db2.gz FVSRFDNKSDOPDE-SJLPKXTDSA-N 0 3 346.431 2.783 10 5 EFBEHN COc1cc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000341069104 474938672 /nfs/dbraw/zinc/93/86/72/474938672.db2.gz NUCVPRBAPLZZFX-CHWSQXEVSA-N 0 3 335.404 2.596 10 5 EFBEHN COc1ccccc1[C@H]1CNCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000261638282 475006927 /nfs/dbraw/zinc/00/69/27/475006927.db2.gz FLTZJSPEPFPYPF-QGZVFWFLSA-N 0 3 327.384 2.750 10 5 EFBEHN COc1ccccc1[C@@H]1CNCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000261838747 475079671 /nfs/dbraw/zinc/07/96/71/475079671.db2.gz UHOULNLTQDBLNM-SFHVURJKSA-N 0 3 341.411 2.792 10 5 EFBEHN COC(=O)c1cc(N2CC[C@@]3(C2)CCCN(C)C3)cc(C)c1[N+](=O)[O-] ZINC000292699887 475159063 /nfs/dbraw/zinc/15/90/63/475159063.db2.gz GAHRUNNXHCMNOY-SFHVURJKSA-N 0 3 347.415 2.612 10 5 EFBEHN COc1ccccc1[C@H]1CNCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000262206801 475198472 /nfs/dbraw/zinc/19/84/72/475198472.db2.gz LDYMRWVJHZUKKP-QGZVFWFLSA-N 0 3 345.374 2.889 10 5 EFBEHN C[C@H]1CCC[C@H](C)N1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000609354325 480153118 /nfs/dbraw/zinc/15/31/18/480153118.db2.gz VCRXHNUWWDWABU-RYUDHWBXSA-N 0 3 345.403 2.918 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H]1CN1CCOCC1 ZINC000347354072 475258933 /nfs/dbraw/zinc/25/89/33/475258933.db2.gz GECHJGJEGCRUBI-KVVHSQDJSA-N 0 3 345.443 2.795 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1CN(C)C ZINC000361201139 475265883 /nfs/dbraw/zinc/26/58/83/475265883.db2.gz NHJPENXUCDIYJK-RDJZCZTQSA-N 0 3 333.432 2.716 10 5 EFBEHN CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000361230452 475288774 /nfs/dbraw/zinc/28/87/74/475288774.db2.gz UITZOPRHRVVEHI-INIZCTEOSA-N 0 3 330.388 2.606 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CNCc1ccccc1Cn1cncn1 ZINC000337771316 475311057 /nfs/dbraw/zinc/31/10/57/475311057.db2.gz DQFCFBHKULGUBJ-UHFFFAOYSA-N 0 3 337.383 2.833 10 5 EFBEHN CCN1CCC[C@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000339679694 475404970 /nfs/dbraw/zinc/40/49/70/475404970.db2.gz RZMOFJKAMPWEEY-HNNXBMFYSA-N 0 3 341.415 2.678 10 5 EFBEHN CCOc1ccc([C@@H](C)NC[C@@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000348684349 475816347 /nfs/dbraw/zinc/81/63/47/475816347.db2.gz PEXPDLZEEZARDE-CJNGLKHVSA-N 0 3 345.399 2.815 10 5 EFBEHN CCc1nc(C2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)n[nH]1 ZINC000362071958 475977009 /nfs/dbraw/zinc/97/70/09/475977009.db2.gz KDCVMLVNQVIAEU-UHFFFAOYSA-N 0 3 345.403 2.664 10 5 EFBEHN CCc1n[nH]c(C2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)n1 ZINC000362071958 475977019 /nfs/dbraw/zinc/97/70/19/475977019.db2.gz KDCVMLVNQVIAEU-UHFFFAOYSA-N 0 3 345.403 2.664 10 5 EFBEHN CCc1nnc(C2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)[nH]1 ZINC000362071958 475977024 /nfs/dbraw/zinc/97/70/24/475977024.db2.gz KDCVMLVNQVIAEU-UHFFFAOYSA-N 0 3 345.403 2.664 10 5 EFBEHN CCc1noc(C)c1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000340440087 476037170 /nfs/dbraw/zinc/03/71/70/476037170.db2.gz NXHMANNVHMBDDC-CABCVRRESA-N 0 3 333.392 2.924 10 5 EFBEHN NC(=O)C1CCC(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000340461046 476048211 /nfs/dbraw/zinc/04/82/11/476048211.db2.gz LFHYLINGGBQFGR-UHFFFAOYSA-N 0 3 343.383 2.989 10 5 EFBEHN O=[N+]([O-])c1ccc(CCN[C@@H](c2c[nH]nn2)c2ccc(F)cc2)cc1 ZINC000340473570 476057107 /nfs/dbraw/zinc/05/71/07/476057107.db2.gz LUDIFQJXMCOGTI-QGZVFWFLSA-N 0 3 341.346 2.774 10 5 EFBEHN O=C1NCCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000338703983 476120579 /nfs/dbraw/zinc/12/05/79/476120579.db2.gz BDZOLMIPUADBHA-ZDUSSCGKSA-N 0 3 331.397 2.692 10 5 EFBEHN CSc1ccc([C@@H](CNc2ccncc2[N+](=O)[O-])N(C)C)cc1 ZINC000338829670 476220083 /nfs/dbraw/zinc/22/00/83/476220083.db2.gz DOTNUAHZIZLHCL-OAHLLOKOSA-N 0 3 332.429 2.848 10 5 EFBEHN COc1ccc(-c2ccc(CN[C@@H](C)[C@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000304324662 476278974 /nfs/dbraw/zinc/27/89/74/476278974.db2.gz UYLRAFSCYPBYOD-NEPJUHHUSA-N 0 3 334.372 2.970 10 5 EFBEHN C[C@H]1C[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CCN1C ZINC000351222352 476368716 /nfs/dbraw/zinc/36/87/16/476368716.db2.gz OAEZWJDWCZCPGP-STQMWFEESA-N 0 3 345.403 2.830 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3ccccn3)CC2)c1 ZINC000362760953 476392776 /nfs/dbraw/zinc/39/27/76/476392776.db2.gz YTYWLWPFFCAKSR-SFHVURJKSA-N 0 3 327.384 2.903 10 5 EFBEHN C[C@@]1(CNc2ccncc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000361006344 476538778 /nfs/dbraw/zinc/53/87/78/476538778.db2.gz CZAIHVFXTDYGSA-SFHVURJKSA-N 0 3 326.400 2.878 10 5 EFBEHN C[C@@]1(c2ccc(F)cc2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000369864087 476561963 /nfs/dbraw/zinc/56/19/63/476561963.db2.gz NOVAVANUVXJGSO-GOSISDBHSA-N 0 3 345.374 2.559 10 5 EFBEHN O=[N+]([O-])c1ccc(CCN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375428756 476832998 /nfs/dbraw/zinc/83/29/98/476832998.db2.gz WJCQRZSPUGDPFM-CQSZACIVSA-N 0 3 328.372 2.887 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000446315383 476859643 /nfs/dbraw/zinc/85/96/43/476859643.db2.gz IZVYEMGTWLMREY-CMPLNLGQSA-N 0 3 325.796 2.769 10 5 EFBEHN CCOc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000452569354 477003718 /nfs/dbraw/zinc/00/37/18/477003718.db2.gz IZCHRJCRJFCEGT-CYBMUJFWSA-N 0 3 347.415 2.550 10 5 EFBEHN O=C(NC1CC(N2CCCCC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000366550637 477065910 /nfs/dbraw/zinc/06/59/10/477065910.db2.gz GTLOHNABVRXJGJ-UHFFFAOYSA-N 0 3 337.807 2.995 10 5 EFBEHN Cc1cc(OCC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000431634934 477066273 /nfs/dbraw/zinc/06/62/73/477066273.db2.gz HZPLYKXJBDTRTC-GJZGRUSLSA-N 0 3 349.431 2.661 10 5 EFBEHN C[C@@H](NC[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453236827 477196150 /nfs/dbraw/zinc/19/61/50/477196150.db2.gz OHRDFLQXNMRVRF-TZMCWYRMSA-N 0 3 346.408 2.817 10 5 EFBEHN C[C@@H]1OCC[C@@]1(O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000433008848 477295859 /nfs/dbraw/zinc/29/58/59/477295859.db2.gz FEHJIYKAJAEREA-ZOCIIQOWSA-N 0 3 342.395 2.814 10 5 EFBEHN COC(=O)COc1ccc(CN2CC3(CCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000433024967 477299181 /nfs/dbraw/zinc/29/91/81/477299181.db2.gz GCQPSVIGNHCUFS-ZDUSSCGKSA-N 0 3 348.399 2.911 10 5 EFBEHN CCOc1ccc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000376493140 477361783 /nfs/dbraw/zinc/36/17/83/477361783.db2.gz XWLOSVMTVDOERH-ZFWWWQNUSA-N 0 3 347.415 2.692 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411969020 477400254 /nfs/dbraw/zinc/40/02/54/477400254.db2.gz PKZBSKBXLRWSRB-AUUYWEPGSA-N 0 3 339.395 2.785 10 5 EFBEHN C[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458886788 477642993 /nfs/dbraw/zinc/64/29/93/477642993.db2.gz IRFLRLNSIJAGLS-BLLLJJGKSA-N 0 3 332.404 2.534 10 5 EFBEHN CCN1CCCC[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558576591 477890179 /nfs/dbraw/zinc/89/01/79/477890179.db2.gz JMLAJXQKWKRZMY-KRWDZBQOSA-N 0 3 344.415 2.609 10 5 EFBEHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451236095 477895670 /nfs/dbraw/zinc/89/56/70/477895670.db2.gz MWRVQQQUDHWXFZ-OLZOCXBDSA-N 0 3 346.387 2.683 10 5 EFBEHN CNC(=O)[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000421377729 478063220 /nfs/dbraw/zinc/06/32/20/478063220.db2.gz HZWPYLQWSQCVMT-GFCCVEGCSA-N 0 3 345.424 2.891 10 5 EFBEHN COc1ccc(NC(=O)CNC2(C3CCC3)CCC2)c([N+](=O)[O-])c1 ZINC000459752273 478075120 /nfs/dbraw/zinc/07/51/20/478075120.db2.gz BIRQEWVXWBSVBR-UHFFFAOYSA-N 0 3 333.388 2.854 10 5 EFBEHN Cc1ccc(CN2CCC(C)(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600201469 478279518 /nfs/dbraw/zinc/27/95/18/478279518.db2.gz MZHUITNMYVPTDY-UHFFFAOYSA-N 0 3 333.432 2.590 10 5 EFBEHN CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000570097796 478281937 /nfs/dbraw/zinc/28/19/37/478281937.db2.gz LETYMMJAJRFCBN-GXFFZTMASA-N 0 3 343.811 2.573 10 5 EFBEHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCCC1 ZINC000600229353 478299269 /nfs/dbraw/zinc/29/92/69/478299269.db2.gz JSWAGCDJCONFRI-INIZCTEOSA-N 0 3 349.406 2.800 10 5 EFBEHN CCc1ccccc1[C@H](N)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562797076 478352230 /nfs/dbraw/zinc/35/22/30/478352230.db2.gz SHFUHDIQGQDXIB-QGZVFWFLSA-N 0 3 342.399 2.656 10 5 EFBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600472186 478382609 /nfs/dbraw/zinc/38/26/09/478382609.db2.gz MZPDGXPCISQKMF-GFCCVEGCSA-N 0 3 337.807 2.995 10 5 EFBEHN COc1cc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc([N+](=O)[O-])c1C ZINC000600469869 478383626 /nfs/dbraw/zinc/38/36/26/478383626.db2.gz LTRBFSBREAUZAS-HNNXBMFYSA-N 0 3 347.415 2.659 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594596552 478455619 /nfs/dbraw/zinc/45/56/19/478455619.db2.gz AOCVVFYDKBPKJJ-ZFWWWQNUSA-N 0 3 333.388 2.810 10 5 EFBEHN NCc1cccc2c1N(CCOc1ccccc1[N+](=O)[O-])CCC2 ZINC000600724712 478488253 /nfs/dbraw/zinc/48/82/53/478488253.db2.gz ZIYAXTHRSGHMST-UHFFFAOYSA-N 0 3 327.384 2.885 10 5 EFBEHN C[C@@H](C(=O)NC[C@H]1CCN1C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597856845 478542258 /nfs/dbraw/zinc/54/22/58/478542258.db2.gz BFUINLXGWMESLG-DGCLKSJQSA-N 0 3 337.395 2.826 10 5 EFBEHN CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CCN(C)CC1 ZINC000600887541 478553258 /nfs/dbraw/zinc/55/32/58/478553258.db2.gz WXMCHIMYULQYSS-UHFFFAOYSA-N 0 3 331.416 2.569 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000597946311 478590772 /nfs/dbraw/zinc/59/07/72/478590772.db2.gz OCJLWWSFPROMLT-DOTOQJQBSA-N 0 3 333.432 2.716 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000597946312 478591030 /nfs/dbraw/zinc/59/10/30/478591030.db2.gz OCJLWWSFPROMLT-NVXWUHKLSA-N 0 3 333.432 2.716 10 5 EFBEHN Cn1ncc(C(F)(F)F)c1CNCCc1cccc([N+](=O)[O-])c1 ZINC000594935202 478594442 /nfs/dbraw/zinc/59/44/42/478594442.db2.gz HWHRQSKPXLKHSG-UHFFFAOYSA-N 0 3 328.294 2.679 10 5 EFBEHN CO[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000594954075 478602215 /nfs/dbraw/zinc/60/22/15/478602215.db2.gz XJMXVESGWRGSRU-KBXCAEBGSA-N 0 3 346.383 2.996 10 5 EFBEHN CO[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC000594952714 478603390 /nfs/dbraw/zinc/60/33/90/478603390.db2.gz REIUBEHMNJRHMG-UGSOOPFHSA-N 0 3 346.383 2.996 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000594974478 478613120 /nfs/dbraw/zinc/61/31/20/478613120.db2.gz MEFIPASHMTTZAY-UGQYRENISA-N 0 3 338.429 2.553 10 5 EFBEHN CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CCN(CC)C1 ZINC000598038479 478626582 /nfs/dbraw/zinc/62/65/82/478626582.db2.gz DLZPVIIQQBEGTA-LBPRGKRZSA-N 0 3 330.388 2.632 10 5 EFBEHN CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(CC)C1 ZINC000598039450 478626737 /nfs/dbraw/zinc/62/67/37/478626737.db2.gz KDILLHOATUVEST-GXTWGEPZSA-N 0 3 337.395 2.780 10 5 EFBEHN CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(CC)C1 ZINC000598039452 478627222 /nfs/dbraw/zinc/62/72/22/478627222.db2.gz KDILLHOATUVEST-JSGCOSHPSA-N 0 3 337.395 2.780 10 5 EFBEHN CO[C@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000595059015 478645241 /nfs/dbraw/zinc/64/52/41/478645241.db2.gz FHGHURQXRGHKPN-CSMYWGQOSA-N 0 3 334.416 2.958 10 5 EFBEHN CCOc1ccc([C@H](C)NCCc2cncc(C)n2)cc1[N+](=O)[O-] ZINC000595092321 478657516 /nfs/dbraw/zinc/65/75/16/478657516.db2.gz YCFKJDUUKREMLF-ZDUSSCGKSA-N 0 3 330.388 2.985 10 5 EFBEHN CCCN1CCC(N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601108437 478661600 /nfs/dbraw/zinc/66/16/00/478661600.db2.gz HLMGBMUWKHXHFZ-UHFFFAOYSA-N 0 3 349.357 2.658 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1C[C@H]2CCCCN2C1=O ZINC000595104293 478662504 /nfs/dbraw/zinc/66/25/04/478662504.db2.gz OPKJBGBJPVBKCB-GOEBONIOSA-N 0 3 346.431 2.844 10 5 EFBEHN CC[C@H](NCCN1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595105896 478662537 /nfs/dbraw/zinc/66/25/37/478662537.db2.gz UEMWWBKLBMPNBA-IRXDYDNUSA-N 0 3 346.431 2.926 10 5 EFBEHN C[C@@H](NCCN1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595108064 478664144 /nfs/dbraw/zinc/66/41/44/478664144.db2.gz ZCPYQAVUUIMOGZ-CJNGLKHVSA-N 0 3 332.404 2.536 10 5 EFBEHN O=[N+]([O-])c1cc(F)cnc1NCC1(N2CCCCC2)CCOCC1 ZINC000601119240 478666907 /nfs/dbraw/zinc/66/69/07/478666907.db2.gz WADMFAXUKUOJRL-UHFFFAOYSA-N 0 3 338.383 2.576 10 5 EFBEHN CCN(CC)CCSc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601121771 478669835 /nfs/dbraw/zinc/66/98/35/478669835.db2.gz URQYXJLCWHBDDV-UHFFFAOYSA-N 0 3 326.344 2.781 10 5 EFBEHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCOc1ccc2c(c1)OCO2 ZINC000582796148 478689637 /nfs/dbraw/zinc/68/96/37/478689637.db2.gz KSWXKMVDXLFMMX-OAHLLOKOSA-N 0 3 342.351 2.979 10 5 EFBEHN COc1ccc(CN[C@](C)(CO)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000601154022 478693518 /nfs/dbraw/zinc/69/35/18/478693518.db2.gz WRTKWDHBQBUGIO-SFHVURJKSA-N 0 3 348.374 2.826 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CC(N2CCCCC2)C1 ZINC000601157952 478696671 /nfs/dbraw/zinc/69/66/71/478696671.db2.gz JWJSIXUDRHGNTQ-UHFFFAOYSA-N 0 3 347.341 2.776 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000564156507 478699630 /nfs/dbraw/zinc/69/96/30/478699630.db2.gz WWLVPAKABJYGOV-CABCVRRESA-N 0 3 333.432 2.841 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000564156511 478700048 /nfs/dbraw/zinc/70/00/48/478700048.db2.gz WWLVPAKABJYGOV-GJZGRUSLSA-N 0 3 333.432 2.841 10 5 EFBEHN Cc1sc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595257595 478705121 /nfs/dbraw/zinc/70/51/21/478705121.db2.gz MDKNAOHMOGBMTC-CQSZACIVSA-N 0 3 347.396 2.878 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000595259168 478705907 /nfs/dbraw/zinc/70/59/07/478705907.db2.gz YMGZKGHXRVNVFX-KRWDZBQOSA-N 0 3 341.367 2.816 10 5 EFBEHN CO[C@H](CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCCC1 ZINC000595285929 478713518 /nfs/dbraw/zinc/71/35/18/478713518.db2.gz BYHYBPUHWCCQPY-QGZVFWFLSA-N 0 3 348.447 2.707 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000601190465 478715066 /nfs/dbraw/zinc/71/50/66/478715066.db2.gz ZGLSPESHTJSUOD-ZJUUUORDSA-N 0 3 347.341 2.776 10 5 EFBEHN Cc1noc(CN2CCN(Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595339660 478738519 /nfs/dbraw/zinc/73/85/19/478738519.db2.gz ZPKBRNMNXSFVAO-CQSZACIVSA-N 0 3 344.415 2.988 10 5 EFBEHN Cc1noc(CN(C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595385415 478756616 /nfs/dbraw/zinc/75/66/16/478756616.db2.gz VYRQLMYFIBYWLY-HNNXBMFYSA-N 0 3 330.388 2.598 10 5 EFBEHN C[C@@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CN1C1CC1 ZINC000601300027 478772655 /nfs/dbraw/zinc/77/26/55/478772655.db2.gz ULVKXJNTOKWUCE-UKRRQHHQSA-N 0 3 343.427 2.758 10 5 EFBEHN C[C@@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CN1C1CC1 ZINC000601300026 478772962 /nfs/dbraw/zinc/77/29/62/478772962.db2.gz ULVKXJNTOKWUCE-HIFRSBDPSA-N 0 3 343.427 2.758 10 5 EFBEHN CCC[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132955 478790599 /nfs/dbraw/zinc/79/05/99/478790599.db2.gz QCNGGXJDSCXNNA-ULQDDVLXSA-N 0 3 336.432 2.861 10 5 EFBEHN CCCN(C)CC(C)(C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598464754 478836247 /nfs/dbraw/zinc/83/62/47/478836247.db2.gz GNEZBONJCYXWOT-UHFFFAOYSA-N 0 3 349.431 2.794 10 5 EFBEHN Cc1c(CNC(=O)NC[C@H]2CCN2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000595588061 478871435 /nfs/dbraw/zinc/87/14/35/478871435.db2.gz ONVMDOYXQPOSQR-CQSZACIVSA-N 0 3 334.420 2.575 10 5 EFBEHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@H](C)N1 ZINC000598532206 478882828 /nfs/dbraw/zinc/88/28/28/478882828.db2.gz UUJZWFOAURISJX-GXTWGEPZSA-N 0 3 335.404 2.595 10 5 EFBEHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000595771940 478989462 /nfs/dbraw/zinc/98/94/62/478989462.db2.gz QWFZKFGRRWOSAW-CJNGLKHVSA-N 0 3 332.379 2.968 10 5 EFBEHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000595771939 478989572 /nfs/dbraw/zinc/98/95/72/478989572.db2.gz QWFZKFGRRWOSAW-BBRMVZONSA-N 0 3 332.379 2.968 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781390 478993391 /nfs/dbraw/zinc/99/33/91/478993391.db2.gz RRYRKVJXWRBQNK-KGLIPLIRSA-N 0 3 335.404 2.731 10 5 EFBEHN Cc1sc(C(=O)Nc2cnn(C3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000601771121 478993585 /nfs/dbraw/zinc/99/35/85/478993585.db2.gz GABIQBOCCMTLPV-UHFFFAOYSA-N 0 3 349.416 2.680 10 5 EFBEHN CN1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@H](c2ccccc2)C1 ZINC000592879801 479087295 /nfs/dbraw/zinc/08/72/95/479087295.db2.gz DDMHINSZXALTGW-KGLIPLIRSA-N 0 3 345.424 2.732 10 5 EFBEHN COc1ccc(CN2CC[C@H]2CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000598994174 479117761 /nfs/dbraw/zinc/11/77/61/479117761.db2.gz WYARTKVCGPEECD-SFHVURJKSA-N 0 3 341.411 2.968 10 5 EFBEHN COc1ccc(CN2CC[C@H]2CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000598992957 479117956 /nfs/dbraw/zinc/11/79/56/479117956.db2.gz FBCITFAFJVWWLL-KRWDZBQOSA-N 0 3 341.411 2.968 10 5 EFBEHN O=[N+]([O-])c1ccccc1CNCC1(OCCO)CCC(F)(F)CC1 ZINC000598994001 479118378 /nfs/dbraw/zinc/11/83/78/479118378.db2.gz VNGIQVFQJXMJCQ-UHFFFAOYSA-N 0 3 344.358 2.641 10 5 EFBEHN C/C=C/CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000599005204 479123282 /nfs/dbraw/zinc/12/32/82/479123282.db2.gz MQTOLBNRUWIDBM-NSCUHMNNSA-N 0 3 332.141 2.865 10 5 EFBEHN Cn1cc(CN[C@@H]2CO[C@H](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599006365 479123592 /nfs/dbraw/zinc/12/35/92/479123592.db2.gz HJEHGRUMBGXXJE-RDJZCZTQSA-N 0 3 342.399 2.652 10 5 EFBEHN CN1CCN(CCCCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599021147 479128939 /nfs/dbraw/zinc/12/89/39/479128939.db2.gz FWKSBHZIWJAFDH-UHFFFAOYSA-N 0 3 343.431 2.583 10 5 EFBEHN CCN1CCN(CCCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599022928 479130095 /nfs/dbraw/zinc/13/00/95/479130095.db2.gz VQWUCKXQEOBOOS-UHFFFAOYSA-N 0 3 343.431 2.583 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c1 ZINC000593029555 479133571 /nfs/dbraw/zinc/13/35/71/479133571.db2.gz BYHZANAGRQMBBB-VCTAVGKDSA-N 0 3 336.388 2.531 10 5 EFBEHN CN(C)CCOC1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599041795 479134807 /nfs/dbraw/zinc/13/48/07/479134807.db2.gz AWWNBOAHAWXFCB-UHFFFAOYSA-N 0 3 344.415 2.690 10 5 EFBEHN CN1C(=O)c2ccccc2[C@@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599074538 479150726 /nfs/dbraw/zinc/15/07/26/479150726.db2.gz NGBBSAIPZAHJIQ-AEFFLSMTSA-N 0 3 337.379 2.999 10 5 EFBEHN CN1CCC[C@]2(CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C2)C1 ZINC000569689657 479157109 /nfs/dbraw/zinc/15/71/09/479157109.db2.gz RTOSVQGYLJVBBF-SFHVURJKSA-N 0 3 330.432 2.791 10 5 EFBEHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CCC2)C1=O ZINC000599094323 479158650 /nfs/dbraw/zinc/15/86/50/479158650.db2.gz UEHDKAPUBRHLLN-BBRMVZONSA-N 0 3 331.416 2.659 10 5 EFBEHN CCC1(N2CCOCC2)CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000599182770 479198623 /nfs/dbraw/zinc/19/86/23/479198623.db2.gz ARPAOMSSZKIEKR-UHFFFAOYSA-N 0 3 333.432 2.984 10 5 EFBEHN CCC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000599183779 479199952 /nfs/dbraw/zinc/19/99/52/479199952.db2.gz URSJVKPIFRCSCO-UHFFFAOYSA-N 0 3 349.431 2.685 10 5 EFBEHN COC(=O)c1c(Cl)c(N(CCN(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000596218224 479205683 /nfs/dbraw/zinc/20/56/83/479205683.db2.gz HIIKUDZEFWCTMY-UHFFFAOYSA-N 0 3 343.811 2.811 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596307891 479248070 /nfs/dbraw/zinc/24/80/70/479248070.db2.gz QGIPZGQANCEGMQ-GFCCVEGCSA-N 0 3 332.404 2.764 10 5 EFBEHN CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000596358243 479265819 /nfs/dbraw/zinc/26/58/19/479265819.db2.gz ZDSWZTWFSTXUNL-KRWDZBQOSA-N 0 3 348.447 2.653 10 5 EFBEHN O=[N+]([O-])c1sccc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000611103846 479282361 /nfs/dbraw/zinc/28/23/61/479282361.db2.gz FDESPFSVPNLJLW-CYBMUJFWSA-N 0 3 325.434 2.738 10 5 EFBEHN O=[N+]([O-])c1sccc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000611103847 479282447 /nfs/dbraw/zinc/28/24/47/479282447.db2.gz FDESPFSVPNLJLW-ZDUSSCGKSA-N 0 3 325.434 2.738 10 5 EFBEHN O=[N+]([O-])c1sccc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596424988 479288577 /nfs/dbraw/zinc/28/85/77/479288577.db2.gz VYJOBRLKRHYGQA-AWEZNQCLSA-N 0 3 333.413 2.835 10 5 EFBEHN COc1cc(CN[C@H]2CNc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000593317917 479290926 /nfs/dbraw/zinc/29/09/26/479290926.db2.gz ZDVHXKMCRAJXIZ-CQSZACIVSA-N 0 3 343.383 2.738 10 5 EFBEHN COc1cc(CN[C@@H]2CNc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000593317915 479291033 /nfs/dbraw/zinc/29/10/33/479291033.db2.gz ZDVHXKMCRAJXIZ-AWEZNQCLSA-N 0 3 343.383 2.738 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000611150040 479294896 /nfs/dbraw/zinc/29/48/96/479294896.db2.gz WBTRUSKXDXQNJY-MRXNPFEDSA-N 0 3 330.384 2.775 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000611150039 479294912 /nfs/dbraw/zinc/29/49/12/479294912.db2.gz WBTRUSKXDXQNJY-INIZCTEOSA-N 0 3 330.384 2.775 10 5 EFBEHN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C)C1 ZINC000596451730 479300469 /nfs/dbraw/zinc/30/04/69/479300469.db2.gz FNFBMUBZGLNEOG-NSHDSACASA-N 0 3 326.784 2.806 10 5 EFBEHN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C)C1 ZINC000596451729 479301001 /nfs/dbraw/zinc/30/10/01/479301001.db2.gz FNFBMUBZGLNEOG-LLVKDONJSA-N 0 3 326.784 2.806 10 5 EFBEHN CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596516006 479324638 /nfs/dbraw/zinc/32/46/38/479324638.db2.gz BQFGZCIMRJMEHZ-SNVBAGLBSA-N 0 3 341.795 2.931 10 5 EFBEHN O=C1C[C@H]([C@@H]2CCCCN2C/C=C\c2ccccc2[N+](=O)[O-])CN1 ZINC000611287514 479338852 /nfs/dbraw/zinc/33/88/52/479338852.db2.gz DQHDFBZDCOHPRR-BNOHMRNQSA-N 0 3 329.400 2.599 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@]1(CO)CCCC(C)(C)C1 ZINC000599597134 479346421 /nfs/dbraw/zinc/34/64/21/479346421.db2.gz USYWBMHLBKOJTI-GOSISDBHSA-N 0 3 349.431 2.763 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@]1(CO)CCCC(C)(C)C1 ZINC000599597880 479347456 /nfs/dbraw/zinc/34/74/56/479347456.db2.gz ZCQMNXPYCLDKQS-SFHVURJKSA-N 0 3 349.431 2.763 10 5 EFBEHN CN(C)CCOC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593463121 479351792 /nfs/dbraw/zinc/35/17/92/479351792.db2.gz MTLNCGLAPOLSNS-UHFFFAOYSA-N 0 3 344.415 2.690 10 5 EFBEHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000599624366 479357600 /nfs/dbraw/zinc/35/76/00/479357600.db2.gz CYJNIDFBHIFZTF-APOSDKBFSA-N 0 3 335.404 2.632 10 5 EFBEHN CCC1(N2CCOCC2)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000599668474 479379483 /nfs/dbraw/zinc/37/94/83/479379483.db2.gz FVDSGHXVHUYENM-UHFFFAOYSA-N 0 3 333.432 2.672 10 5 EFBEHN COC(=O)C1C[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599713167 479403489 /nfs/dbraw/zinc/40/34/89/479403489.db2.gz ZVGBSVAGFXJUMD-STQMWFEESA-N 0 3 336.388 2.636 10 5 EFBEHN O=C(CCN1CCC[C@@H](OC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611579286 479423004 /nfs/dbraw/zinc/42/30/04/479423004.db2.gz UZTVBWVEIRIUDI-LLVKDONJSA-N 0 3 343.330 2.627 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCc2c1ccc(=O)n2C ZINC000593693810 479425638 /nfs/dbraw/zinc/42/56/38/479425638.db2.gz FGKQEJCMFBJSQM-INIZCTEOSA-N 0 3 327.384 2.769 10 5 EFBEHN C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCN1C ZINC000599832240 479443479 /nfs/dbraw/zinc/44/34/79/479443479.db2.gz TYGBZTVHQACPKJ-NWDGAFQWSA-N 0 3 343.387 2.747 10 5 EFBEHN CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000596831880 479445497 /nfs/dbraw/zinc/44/54/97/479445497.db2.gz MDMLUCXXQYLROE-CYBMUJFWSA-N 0 3 336.392 2.551 10 5 EFBEHN COc1cccc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000588933660 479460696 /nfs/dbraw/zinc/46/06/96/479460696.db2.gz SZVBFTMBCMNFAK-UHFFFAOYSA-N 0 3 326.356 2.812 10 5 EFBEHN CC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594042340 479562783 /nfs/dbraw/zinc/56/27/83/479562783.db2.gz IHFDJACYWKREPC-ZFWWWQNUSA-N 0 3 335.404 2.779 10 5 EFBEHN CC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594042338 479562979 /nfs/dbraw/zinc/56/29/79/479562979.db2.gz IHFDJACYWKREPC-HIFRSBDPSA-N 0 3 335.404 2.779 10 5 EFBEHN CC[C@@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594044153 479564576 /nfs/dbraw/zinc/56/45/76/479564576.db2.gz PPOIYXYIXVZVSO-GDBMZVCRSA-N 0 3 336.388 2.819 10 5 EFBEHN CN1C[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590044640 479595560 /nfs/dbraw/zinc/59/55/60/479595560.db2.gz KALJCNQOMFSRFG-CJNGLKHVSA-N 0 3 331.416 2.668 10 5 EFBEHN CN1C[C@H]2[C@@H](CCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000590052428 479597508 /nfs/dbraw/zinc/59/75/08/479597508.db2.gz BXPBQPVXVIYPNB-GUYCJALGSA-N 0 3 327.384 2.991 10 5 EFBEHN COC(=O)c1c(Cl)c(N2CCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000590587011 479664399 /nfs/dbraw/zinc/66/43/99/479664399.db2.gz SWTQDPGEJGSTPU-JTQLQIEISA-N 0 3 341.795 2.565 10 5 EFBEHN COC[C@@](C)(CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610518960 480328142 /nfs/dbraw/zinc/32/81/42/480328142.db2.gz BDKGMTYPUJPCON-MRXNPFEDSA-N 0 3 336.413 2.810 10 5 EFBEHN COC[C@@](C)(CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000610518983 480328289 /nfs/dbraw/zinc/32/82/89/480328289.db2.gz KVLXWRPNGPVSGZ-MRXNPFEDSA-N 0 3 336.413 2.810 10 5 EFBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000179707911 533745018 /nfs/dbraw/zinc/74/50/18/533745018.db2.gz YWOJTTZNICAKFS-ZDUSSCGKSA-N 0 3 345.374 2.984 10 5 EFBEHN CC(C)(O)C(C)(C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000229031291 519337325 /nfs/dbraw/zinc/33/73/25/519337325.db2.gz JUAGZWWAACOSEY-UHFFFAOYSA-N 0 3 331.210 2.996 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117767778 519775025 /nfs/dbraw/zinc/77/50/25/519775025.db2.gz CAMNRFMOBJIKRO-ZDUSSCGKSA-N 0 3 341.839 2.883 10 5 EFBEHN CCOc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000119102922 520895757 /nfs/dbraw/zinc/89/57/57/520895757.db2.gz DZURBCUNOFRJTL-CABCVRRESA-N 0 3 347.415 2.550 10 5 EFBEHN CCN1CCC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000119610337 521644288 /nfs/dbraw/zinc/64/42/88/521644288.db2.gz IBVSAUZHNMZLNY-INIZCTEOSA-N 0 3 348.447 2.701 10 5 EFBEHN CC[C@H](NCc1cccnc1-n1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000178053548 522661099 /nfs/dbraw/zinc/66/10/99/522661099.db2.gz WZWAQOMLIBVELW-INIZCTEOSA-N 0 3 338.371 2.811 10 5 EFBEHN CC(C)(C)OC(=O)CCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347787328 534734698 /nfs/dbraw/zinc/73/46/98/534734698.db2.gz BBXIMSFNSQCFED-UHFFFAOYSA-N 0 3 335.404 2.860 10 5 EFBEHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000246178426 523972068 /nfs/dbraw/zinc/97/20/68/523972068.db2.gz BVYPDPJRWMZDRQ-GXTWGEPZSA-N 0 3 337.807 2.805 10 5 EFBEHN CN1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180124969 523983560 /nfs/dbraw/zinc/98/35/60/523983560.db2.gz NFXFFHXFAODNOV-LPHOPBHVSA-N 0 3 339.395 2.699 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C(C)C)C1CCOCC1 ZINC000077323047 526078014 /nfs/dbraw/zinc/07/80/14/526078014.db2.gz TXGDDLXMSDURKJ-UHFFFAOYSA-N 0 3 335.404 2.731 10 5 EFBEHN Cc1nc(C[C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)no1 ZINC000195518294 526923615 /nfs/dbraw/zinc/92/36/15/526923615.db2.gz CXMCMLBEFXEIJV-CQSZACIVSA-N 0 3 346.387 2.620 10 5 EFBEHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCOc3ccc(F)cc3)C2)nc1 ZINC000118867171 527368100 /nfs/dbraw/zinc/36/81/00/527368100.db2.gz TXGQDGIEHRXVFL-AWEZNQCLSA-N 0 3 346.362 2.694 10 5 EFBEHN Cn1nccc1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000195504102 527599481 /nfs/dbraw/zinc/59/94/81/527599481.db2.gz QLNWNJXTIRGAID-UHFFFAOYSA-N 0 3 330.388 2.587 10 5 EFBEHN CC(C)c1nnc2n1C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178652363 528482015 /nfs/dbraw/zinc/48/20/15/528482015.db2.gz UDMHYYPGMPVMIH-GXTWGEPZSA-N 0 3 329.404 2.975 10 5 EFBEHN CC(C)N1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)C1 ZINC000129734811 529106741 /nfs/dbraw/zinc/10/67/41/529106741.db2.gz GIDBOTILOIMKEC-NHYWBVRUSA-N 0 3 332.404 2.620 10 5 EFBEHN COC(=O)/C=C\c1ccc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000754025064 575376926 /nfs/dbraw/zinc/37/69/26/575376926.db2.gz OJVWFEQSXABDOP-BFDHXNPWSA-N 0 3 345.399 2.818 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCCCC1 ZINC000755095978 575540708 /nfs/dbraw/zinc/54/07/08/575540708.db2.gz CDOCXVARHYULLO-ZQHYZAEZSA-N 0 3 331.416 2.989 10 5 EFBEHN CC[C@H](CN1CCCC1)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000755349877 575577081 /nfs/dbraw/zinc/57/70/81/575577081.db2.gz XNFXIFOJQKBIGJ-OBEJXRGXSA-N 0 3 331.416 2.989 10 5 EFBEHN CN1CC[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)[C@@H]1c1ccccc1 ZINC000758251268 575864889 /nfs/dbraw/zinc/86/48/89/575864889.db2.gz IPOOSSZYAIVCDG-GUYCJALGSA-N 0 3 339.355 2.988 10 5 EFBEHN C/C(=C\C(=O)NCCN1CC=C(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000762706009 576326187 /nfs/dbraw/zinc/32/61/87/576326187.db2.gz JKSPDFQCOMEXHO-FYWRMAATSA-N 0 3 329.400 2.766 10 5 EFBEHN Cc1nn(CN2CCC[C@H]3COCC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000765081872 577004823 /nfs/dbraw/zinc/00/48/23/577004823.db2.gz RDPKSMJUAXHQLV-XJKSGUPXSA-N 0 3 330.388 2.711 10 5 EFBEHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC[S@@](=O)CC ZINC000768103466 577254570 /nfs/dbraw/zinc/25/45/70/577254570.db2.gz FPLAPGAPCGCTNW-QKVFXAPYSA-N 0 3 330.475 2.824 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H](CO)c3ccsc3)CC2)cc1 ZINC000769984319 577396392 /nfs/dbraw/zinc/39/63/92/577396392.db2.gz GSUSTISVFZIJKJ-KRWDZBQOSA-N 0 3 347.440 2.948 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1(C(C)(F)F)CC1 ZINC001691479181 1249218762 /nfs/dbraw/zinc/21/87/62/1249218762.db2.gz LXLMFYVVAKTMKZ-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN CC/C=C(\C)C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001691489415 1249594643 /nfs/dbraw/zinc/59/46/43/1249594643.db2.gz VVIBZUIKXCHEAY-YHIBUNJOSA-N 0 3 331.416 2.936 10 5 EFBEHN O=[N+]([O-])c1ccccc1/C=C/CNCC[S@@](=O)CC(F)(F)F ZINC000850348512 1250443476 /nfs/dbraw/zinc/44/34/76/1250443476.db2.gz NRINBGFDUTWDIV-WTCGPSRQSA-N 0 3 336.335 2.509 10 5 EFBEHN CO[C@@H]1CC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000851107995 1250799811 /nfs/dbraw/zinc/79/98/11/1250799811.db2.gz HNHJACHVKUWUGW-OHTBPHCPSA-N 0 3 325.336 2.890 10 5 EFBEHN CO[C@@H]1CC[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000851107996 1250800278 /nfs/dbraw/zinc/80/02/78/1250800278.db2.gz HNHJACHVKUWUGW-UUIJZJDISA-N 0 3 325.336 2.890 10 5 EFBEHN Cn1cnc(CCCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000843420192 1260300307 /nfs/dbraw/zinc/30/03/07/1260300307.db2.gz QJYZGCDIJPYXIQ-UHFFFAOYSA-N 0 3 344.202 2.753 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(F)c1 ZINC001273248953 1264828027 /nfs/dbraw/zinc/82/80/27/1264828027.db2.gz JPYFQNQBZPLECI-UHFFFAOYSA-N 0 3 345.374 2.986 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(OC(C)C)CCOC1 ZINC000922612060 1266459183 /nfs/dbraw/zinc/45/91/83/1266459183.db2.gz UIUZXAYPVBWYCX-KRWDZBQOSA-N 0 3 338.404 2.667 10 5 EFBEHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001128870814 1271312440 /nfs/dbraw/zinc/31/24/40/1271312440.db2.gz PMRKJDBNXSYAPG-UHFFFAOYSA-N 0 3 337.395 2.990 10 5 EFBEHN Cc1cc(C)cc([C@@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000785858155 1275217258 /nfs/dbraw/zinc/21/72/58/1275217258.db2.gz SPFACERZKZABCX-KRWDZBQOSA-N 0 3 344.415 2.779 10 5 EFBEHN Cc1cc(C)cc([C@H](O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000785858158 1275217757 /nfs/dbraw/zinc/21/77/57/1275217757.db2.gz SPFACERZKZABCX-QGZVFWFLSA-N 0 3 344.415 2.779 10 5 EFBEHN CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844378600 1278955153 /nfs/dbraw/zinc/95/51/53/1278955153.db2.gz LKHSBQYLSSYSBP-MFKMUULPSA-N 0 3 343.811 2.573 10 5 EFBEHN Cc1ccc2c(c1C)OC[C@H]2NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819013612 1276588194 /nfs/dbraw/zinc/58/81/94/1276588194.db2.gz DUJIFSHONSMQON-SJORKVTESA-N 0 3 328.368 2.968 10 5 EFBEHN O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CC[C@@H](C3CC3)N2)n1 ZINC000844908900 1279359537 /nfs/dbraw/zinc/35/95/37/1279359537.db2.gz JVCYZYJLBKBFLS-JSGCOSHPSA-N 0 3 343.387 2.836 10 5 EFBEHN COc1cc(Cc2noc([C@H]3CC[C@@H](C4CC4)N3)n2)ccc1[N+](=O)[O-] ZINC000844912426 1279360377 /nfs/dbraw/zinc/36/03/77/1279360377.db2.gz GBSIDZBVMDIAPL-QWHCGFSZSA-N 0 3 344.371 2.780 10 5 EFBEHN COCc1nc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])co1 ZINC000845873194 1279900727 /nfs/dbraw/zinc/90/07/27/1279900727.db2.gz BWZSTGSWWUQNLE-YMTOWFKASA-N 0 3 338.291 2.523 10 5 EFBEHN CC([C@H](OC(=O)[C@@H](C)c1cncnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845880077 1279904681 /nfs/dbraw/zinc/90/46/81/1279904681.db2.gz KVJZLVBXRZUPDS-PGUXBMHVSA-N 0 3 333.319 2.669 10 5 EFBEHN CNC(=O)c1cccc(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872040262 1287408254 /nfs/dbraw/zinc/40/82/54/1287408254.db2.gz YYQKGBKRYVGLOM-LBPRGKRZSA-N 0 3 345.374 2.987 10 5 EFBEHN O=C(CN1CC[C@@H](C2CCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001171332915 1281632638 /nfs/dbraw/zinc/63/26/38/1281632638.db2.gz UWAVKBVHQRCUQW-MRXNPFEDSA-N 0 3 343.427 2.996 10 5 EFBEHN O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000747833149 1285588253 /nfs/dbraw/zinc/58/82/53/1285588253.db2.gz VEOCGIKXNUINLZ-KBPBESRZSA-N 0 3 330.388 2.651 10 5 EFBEHN CC(COC(=O)Cc1ccc(Br)c(Cl)c1)[N+](=O)[O-] ZINC000813100738 1285652464 /nfs/dbraw/zinc/65/24/64/1285652464.db2.gz WGFTYFGSAPUCPT-SSDOTTSWSA-N 0 3 336.569 2.853 10 5 EFBEHN CC(COC(=O)C1(c2ccccc2Br)CC1)[N+](=O)[O-] ZINC000813102849 1285654534 /nfs/dbraw/zinc/65/45/34/1285654534.db2.gz KFTZNGHSYGUOMF-VIFPVBQESA-N 0 3 328.162 2.689 10 5 EFBEHN CC(COC(=O)COc1ccccc1OCc1ccccc1)[N+](=O)[O-] ZINC000813102294 1285654681 /nfs/dbraw/zinc/65/46/81/1285654681.db2.gz DIYGAWMLUINODN-CQSZACIVSA-N 0 3 345.351 2.853 10 5 EFBEHN CC(COC(=O)Cn1c2ccccc2nc1SC(F)F)[N+](=O)[O-] ZINC000813105417 1285676425 /nfs/dbraw/zinc/67/64/25/1285676425.db2.gz MAYXEYHSITVFQJ-MRVPVSSYSA-N 0 3 345.327 2.559 10 5 EFBEHN CCOc1cc2c(cc1/C=C/C(=O)OCC(C)[N+](=O)[O-])O[C@H](C)C2 ZINC000813109057 1285680268 /nfs/dbraw/zinc/68/02/68/1285680268.db2.gz NTOHMLPYWGJRTC-CYLBZQBVSA-N 0 3 335.356 2.630 10 5 EFBEHN COc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1Br ZINC000813110433 1285682597 /nfs/dbraw/zinc/68/25/97/1285682597.db2.gz ANIMUHHJWSOXPQ-SECBINFHSA-N 0 3 346.177 2.599 10 5 EFBEHN CC(COC(=O)C(C)(C)c1ccccc1Br)[N+](=O)[O-] ZINC000813112615 1285683661 /nfs/dbraw/zinc/68/36/61/1285683661.db2.gz JRCZWNJOUKGBHN-SECBINFHSA-N 0 3 330.178 2.935 10 5 EFBEHN CCCN(CCC)C(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114666 1285685308 /nfs/dbraw/zinc/68/53/08/1285685308.db2.gz FLSICVLGDZJYTL-ZDUSSCGKSA-N 0 3 336.388 2.771 10 5 EFBEHN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115197 1285687190 /nfs/dbraw/zinc/68/71/90/1285687190.db2.gz MPHVIZQEVQUZRZ-SECBINFHSA-N 0 3 328.390 2.863 10 5 EFBEHN C[C@H](NC[C@@H](O)C[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000878660503 1291745628 /nfs/dbraw/zinc/74/56/28/1291745628.db2.gz UJBMEACREJIAEM-DOPJRALCSA-N 0 3 330.384 2.730 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883402798 1293580294 /nfs/dbraw/zinc/58/02/94/1293580294.db2.gz AEZQFUJHMQMRIE-VXXVJXPCSA-N 0 3 329.400 2.599 10 5 EFBEHN CN(CCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001196907297 1294411164 /nfs/dbraw/zinc/41/11/64/1294411164.db2.gz KMBFURFHARUDIC-LJQANCHMSA-N 0 3 343.427 2.918 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C1(F)CCCC1 ZINC001274153022 1295514991 /nfs/dbraw/zinc/51/49/91/1295514991.db2.gz IFJSWQWSOKCJMD-ARJAWSKDSA-N 0 3 335.379 2.639 10 5 EFBEHN C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C ZINC000925341611 1296828977 /nfs/dbraw/zinc/82/89/77/1296828977.db2.gz PHOCPZOFSMJEDX-UNEWFSDZSA-N 0 3 346.431 2.576 10 5 EFBEHN C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)CO ZINC000926852011 1296967602 /nfs/dbraw/zinc/96/76/02/1296967602.db2.gz WNTXUBRVTRZGOT-SECBINFHSA-N 0 3 331.210 2.854 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000927051787 1296982764 /nfs/dbraw/zinc/98/27/64/1296982764.db2.gz JFNDUCIZUOSFOP-WVATUKLVSA-N 0 3 336.388 2.937 10 5 EFBEHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000931626076 1297358894 /nfs/dbraw/zinc/35/88/94/1297358894.db2.gz NOYDXSHQIVWBEN-QMTHXVAHSA-N 0 3 338.795 2.724 10 5 EFBEHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000931627307 1297359235 /nfs/dbraw/zinc/35/92/35/1297359235.db2.gz ZMIYUBZZHAYHGL-MWLCHTKSSA-N 0 3 326.784 2.771 10 5 EFBEHN O=C(NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccoc1 ZINC001490364280 1298857694 /nfs/dbraw/zinc/85/76/94/1298857694.db2.gz QJUDIQXTWMVDKA-UHFFFAOYSA-N 0 3 343.383 2.972 10 5 EFBEHN COc1cnccc1N1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000795283200 1300624179 /nfs/dbraw/zinc/62/41/79/1300624179.db2.gz ATQGTNHEFAWRFS-UHFFFAOYSA-N 0 3 328.372 2.633 10 5 EFBEHN Cc1cc(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)oc1C ZINC001273956759 1300738438 /nfs/dbraw/zinc/73/84/38/1300738438.db2.gz LLEYCAGTJNNHLP-ARJAWSKDSA-N 0 3 343.383 2.880 10 5 EFBEHN C[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccns1 ZINC000860058041 1301686734 /nfs/dbraw/zinc/68/67/34/1301686734.db2.gz FVVMZFHRKZLXRX-SECBINFHSA-N 0 3 338.364 2.870 10 5 EFBEHN CCN(C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000861892096 1302233933 /nfs/dbraw/zinc/23/39/33/1302233933.db2.gz AXGKPTOYPHYHIG-BUHFOSPRSA-N 0 3 331.416 2.941 10 5 EFBEHN CN1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCC1(C)C ZINC000871152719 1305842439 /nfs/dbraw/zinc/84/24/39/1305842439.db2.gz PCWWFRNYCMAYPU-UHFFFAOYSA-N 0 3 330.388 2.632 10 5 EFBEHN C/C(=C\C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001265529391 1316821508 /nfs/dbraw/zinc/82/15/08/1316821508.db2.gz APYFESBUQCFZNI-PLVLJFABSA-N 0 3 329.400 2.688 10 5 EFBEHN CC1(C(=O)NCCCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC001266138635 1317088301 /nfs/dbraw/zinc/08/83/01/1317088301.db2.gz NSOUFDGFIDQREU-UHFFFAOYSA-N 0 3 331.416 2.866 10 5 EFBEHN CN(CCCN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001280849764 1317841354 /nfs/dbraw/zinc/84/13/54/1317841354.db2.gz ISFCAIBPJMIXOB-FVQHAEBGSA-N 0 3 345.443 2.921 10 5 EFBEHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1 ZINC001298813164 1323613856 /nfs/dbraw/zinc/61/38/56/1323613856.db2.gz FPOUMCVFJQBVPZ-MRXNPFEDSA-N 0 3 349.337 2.906 10 5 EFBEHN CCOc1ccc(-c2nc([C@@H]3CN4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001320208712 1329104365 /nfs/dbraw/zinc/10/43/65/1329104365.db2.gz ZKQKZWHYZGXFQH-CYBMUJFWSA-N 0 3 344.371 2.853 10 5 EFBEHN CC[C@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccco1 ZINC001306840680 1324724485 /nfs/dbraw/zinc/72/44/85/1324724485.db2.gz TZZSTUQBXAYTHV-NHYWBVRUSA-N 0 3 346.387 2.750 10 5 EFBEHN CC[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCOC1 ZINC001308028670 1324789598 /nfs/dbraw/zinc/78/95/98/1324789598.db2.gz GAPPUBYZESYEBC-UKRRQHHQSA-N 0 3 346.387 2.940 10 5 EFBEHN CC[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCOC1 ZINC001308028668 1324790455 /nfs/dbraw/zinc/79/04/55/1324790455.db2.gz GAPPUBYZESYEBC-DZGCQCFKSA-N 0 3 346.387 2.940 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccsc1 ZINC001320672641 1329182474 /nfs/dbraw/zinc/18/24/74/1329182474.db2.gz WTZBTDOVRGYMSF-UHFFFAOYSA-N 0 3 333.413 2.908 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cncc(Cl)c1 ZINC001317641080 1328225943 /nfs/dbraw/zinc/22/59/43/1328225943.db2.gz XCKYSKXNYOWQMK-UHFFFAOYSA-N 0 3 348.790 2.505 10 5 EFBEHN O=C(C[C@@H]1NCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327866389 1330524368 /nfs/dbraw/zinc/52/43/68/1330524368.db2.gz WOMNSEMKLBSUOY-SFHVURJKSA-N 0 3 337.379 2.714 10 5 EFBEHN C[C@@H]1COCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC001333027836 1331068927 /nfs/dbraw/zinc/06/89/27/1331068927.db2.gz AXQMZQDMHGFGRD-RNCFNFMXSA-N 0 3 329.194 2.872 10 5 EFBEHN COc1cc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1[O-] ZINC001333308271 1331111758 /nfs/dbraw/zinc/11/17/58/1331111758.db2.gz VGBNYURSHZDCLK-MXWKQRLJSA-N 0 3 328.315 2.832 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccc(OC)nc1 ZINC001334906787 1331328752 /nfs/dbraw/zinc/32/87/52/1331328752.db2.gz MLQXSKOEQJLVPD-UHFFFAOYSA-N 0 3 331.372 2.729 10 5 EFBEHN C[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)N1[C@H](C)CC[C@H]1C ZINC001350800921 1333135244 /nfs/dbraw/zinc/13/52/44/1333135244.db2.gz DINXOBOKGAYNKH-MXWKQRLJSA-N 0 3 341.358 2.751 10 5 EFBEHN CC(C)N(CC1CC1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474874 1334734738 /nfs/dbraw/zinc/73/47/38/1334734738.db2.gz KHUPEDZGAZPQIR-QGZVFWFLSA-N 0 3 331.416 2.989 10 5 EFBEHN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCC[C@@H]1C1CC1 ZINC000848476336 1334735419 /nfs/dbraw/zinc/73/54/19/1334735419.db2.gz ABGRVJOSFRDANZ-IAGOWNOFSA-N 0 3 329.400 2.743 10 5 EFBEHN COc1ccccc1[C@@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848523339 1334771875 /nfs/dbraw/zinc/77/18/75/1334771875.db2.gz AINXDLDKGPHDDT-WBVHZDCISA-N 0 3 328.368 2.914 10 5 EFBEHN CC1(C)C[C@H](NC[C@@H]2CN(C3CC3)C(=O)O2)c2cc([N+](=O)[O-])ccc21 ZINC000848569309 1334798624 /nfs/dbraw/zinc/79/86/24/1334798624.db2.gz DGBNRUXPLGQHAP-CJNGLKHVSA-N 0 3 345.399 2.890 10 5 EFBEHN O=C1O[C@@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848570535 1334799443 /nfs/dbraw/zinc/79/94/43/1334799443.db2.gz MAHNWYFUHTWVBU-HOCLYGCPSA-N 0 3 331.372 2.545 10 5 EFBEHN O=C1O[C@@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848571653 1334801093 /nfs/dbraw/zinc/80/10/93/1334801093.db2.gz GGDZROASMQVFTP-DOTOQJQBSA-N 0 3 345.399 2.935 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848578727 1334805373 /nfs/dbraw/zinc/80/53/73/1334805373.db2.gz ZSDLRTHVYPXIJG-NYUWMOHMSA-N 0 3 331.372 2.571 10 5 EFBEHN CCCN(CCN(C)C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001360478166 1335941899 /nfs/dbraw/zinc/94/18/99/1335941899.db2.gz LNRBKNBSRWGWON-UHFFFAOYSA-N 0 3 341.839 2.981 10 5 EFBEHN CN(C)C1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001445046321 1391518342 /nfs/dbraw/zinc/51/83/42/1391518342.db2.gz MCULZDYFRILXAO-UHFFFAOYSA-N 0 3 333.432 2.908 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](c3cnccn3)C2)cc1 ZINC001460863391 1396265538 /nfs/dbraw/zinc/26/55/38/1396265538.db2.gz UBKQOIVMJFIVKV-AWEZNQCLSA-N 0 3 328.372 2.643 10 5 EFBEHN CN(C)Cc1ccccc1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001464893943 1396628422 /nfs/dbraw/zinc/62/84/22/1396628422.db2.gz UGLZGOUKMSOLRC-UHFFFAOYSA-N 0 3 331.347 2.726 10 5 EFBEHN Cc1ccc(CC(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001479765766 1397827590 /nfs/dbraw/zinc/82/75/90/1397827590.db2.gz BNKHKDLSJJMFFM-UHFFFAOYSA-N 0 3 345.399 2.677 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C(F)=C1CCCC1 ZINC001493516913 1398738308 /nfs/dbraw/zinc/73/83/08/1398738308.db2.gz WWIWJTMEHSLBRW-UHFFFAOYSA-N 0 3 335.379 2.940 10 5 EFBEHN CCCC(=O)N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1 ZINC001495439621 1399980475 /nfs/dbraw/zinc/98/04/75/1399980475.db2.gz VTNQRLNDJCTVQX-JOCQHMNTSA-N 0 3 325.434 2.973 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(C)n1 ZINC001497351031 1401321702 /nfs/dbraw/zinc/32/17/02/1401321702.db2.gz BGHMBNQKGYOZSR-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc(C)s1 ZINC001497362373 1401327777 /nfs/dbraw/zinc/32/77/77/1401327777.db2.gz YEBHYOGGXWJJLS-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN C/C(=C\C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001497534394 1401440661 /nfs/dbraw/zinc/44/06/61/1401440661.db2.gz ATKVFXXVRCOQMC-OCBWWBPCSA-N 0 3 329.400 2.713 10 5 EFBEHN CN(C)Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001557008230 1415101314 /nfs/dbraw/zinc/10/13/14/1415101314.db2.gz SBDRIFZMPIICDN-UHFFFAOYSA-N 0 3 331.347 2.977 10 5 EFBEHN CN(CCCNC(=O)CCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001566441815 1415547931 /nfs/dbraw/zinc/54/79/31/1415547931.db2.gz HYTSLHVZHFUSBJ-UHFFFAOYSA-N 0 3 347.337 2.875 10 5 EFBEHN Cc1sccc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001567492419 1416158702 /nfs/dbraw/zinc/15/87/02/1416158702.db2.gz YEEGHEOMQNSWKS-UHFFFAOYSA-N 0 3 333.413 2.827 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccncc1Cl ZINC001567565736 1416189623 /nfs/dbraw/zinc/18/96/23/1416189623.db2.gz YXHDEAUAGUPNPI-UHFFFAOYSA-N 0 3 348.790 2.505 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1C ZINC001699169084 1417408958 /nfs/dbraw/zinc/40/89/58/1417408958.db2.gz HBTOEYRIOBABFF-UHFFFAOYSA-N 0 3 331.372 2.748 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cccnc1C ZINC001699201664 1417413136 /nfs/dbraw/zinc/41/31/36/1417413136.db2.gz AVDJSLNILVDHEC-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN O=C(CCc1ccco1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001713154626 1418342517 /nfs/dbraw/zinc/34/25/17/1418342517.db2.gz SHWQQJWRZFDRDG-SHTZXODSSA-N 0 3 343.383 2.557 10 5 EFBEHN O=C(CCC1CCC1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001713156560 1418343277 /nfs/dbraw/zinc/34/32/77/1418343277.db2.gz FZMXPNVWJVCXLF-WKILWMFISA-N 0 3 331.416 2.912 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1C1CC1 ZINC001714754919 1418626131 /nfs/dbraw/zinc/62/61/31/1418626131.db2.gz PVQMRLYWTDJRSR-UHFFFAOYSA-N 0 3 343.383 2.927 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(C)o1 ZINC001715729262 1418681178 /nfs/dbraw/zinc/68/11/78/1418681178.db2.gz RRBAOIWSPNBTSD-UHFFFAOYSA-N 0 3 345.399 2.677 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cocc1C ZINC001716233661 1418731916 /nfs/dbraw/zinc/73/19/16/1418731916.db2.gz OUWXEIZNTWKRCX-UHFFFAOYSA-N 0 3 331.372 2.748 10 5 EFBEHN Cc1ccccc1C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001716261873 1418746228 /nfs/dbraw/zinc/74/62/28/1418746228.db2.gz BDXXDCIQDXOJME-SNAWJCMRSA-N 0 3 339.395 2.979 10 5 EFBEHN Cc1cc(C)c(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001716310391 1418765178 /nfs/dbraw/zinc/76/51/78/1418765178.db2.gz FETNUACLGCXOSR-ONEGZZNKSA-N 0 3 342.399 2.616 10 5 EFBEHN Cc1[nH]ccc1C(=O)N(C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001717205714 1419266292 /nfs/dbraw/zinc/26/62/92/1419266292.db2.gz SFKAOJWUNKBFBV-UHFFFAOYSA-N 0 3 344.415 2.825 10 5 EFBEHN CN(CCCN(C)C(=O)c1cncs1)Cc1cccc([N+](=O)[O-])c1 ZINC001724847990 1425065689 /nfs/dbraw/zinc/06/56/89/1425065689.db2.gz MPCZHMLGNUBLLR-UHFFFAOYSA-N 0 3 348.428 2.645 10 5 EFBEHN Cc1cc(C)c(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001731251081 1426352592 /nfs/dbraw/zinc/35/25/92/1426352592.db2.gz VDFGIAUNQOPHPS-UHFFFAOYSA-N 0 3 344.415 2.792 10 5 EFBEHN CC(COC(=O)[C@@H](C)Cc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813103369 713520945 /nfs/dbraw/zinc/52/09/45/713520945.db2.gz PNQIVSGFWUHTEQ-VHSXEESVSA-N 0 3 330.178 2.836 10 5 EFBEHN CC(COC(=O)C(C)(C)c1cccc(Br)c1)[N+](=O)[O-] ZINC000813104488 713522616 /nfs/dbraw/zinc/52/26/16/713522616.db2.gz NFJNSMQGCTWFCX-VIFPVBQESA-N 0 3 330.178 2.935 10 5 EFBEHN CC(COC(=O)CCCOc1cccc(Br)c1)[N+](=O)[O-] ZINC000813110163 713541838 /nfs/dbraw/zinc/54/18/38/713541838.db2.gz UDHDZLGNSDMNJX-JTQLQIEISA-N 0 3 346.177 2.817 10 5 EFBEHN CC(COC(=O)[C@H](C)Cc1ccc(F)c(Br)c1)[N+](=O)[O-] ZINC000813114786 713635449 /nfs/dbraw/zinc/63/54/49/713635449.db2.gz WNKRJCSDQXFQBP-RKDXNWHRSA-N 0 3 348.168 2.975 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C1CCCN(C2CC2)C1=O ZINC000924058685 715252342 /nfs/dbraw/zinc/25/23/42/715252342.db2.gz QALXWANUJIEODK-SWLSCSKDSA-N 0 3 346.383 2.908 10 5 EFBEHN C[C@@H](OC(=O)C1CCCN(C2CC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000924059875 715275018 /nfs/dbraw/zinc/27/50/18/715275018.db2.gz WOPNVTFDWQQBES-RISCZKNCSA-N 0 3 332.356 2.600 10 5 EFBEHN C[C@@H](OC(=O)C1CCCN(C2CC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000924059873 715275095 /nfs/dbraw/zinc/27/50/95/715275095.db2.gz WOPNVTFDWQQBES-BXUZGUMPSA-N 0 3 332.356 2.600 10 5 EFBEHN C[C@H]1[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000928434951 722862659 /nfs/dbraw/zinc/86/26/59/722862659.db2.gz FQVVRWWUUVCLCC-ONGXEEELSA-N 0 3 343.836 2.549 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@@H]2CCCCN21 ZINC000908282777 727150400 /nfs/dbraw/zinc/15/04/00/727150400.db2.gz VWWHCHVGOFIEAN-WFASDCNBSA-N 0 3 333.388 2.949 10 5 EFBEHN CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001569856229 1085679630 /nfs/dbraw/zinc/67/96/30/1085679630.db2.gz SWMCKDQYGQUTDR-RBVVOMGSSA-N 0 3 331.416 2.864 10 5 EFBEHN CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C(C)(C)C ZINC001646537000 1087847449 /nfs/dbraw/zinc/84/74/49/1087847449.db2.gz PPMOEOQRRKVUMG-HNNXBMFYSA-N 0 3 331.420 2.633 10 5 EFBEHN CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001648412885 1092211304 /nfs/dbraw/zinc/21/13/04/1092211304.db2.gz SLIWIIQDWRVVPB-CYBMUJFWSA-N 0 3 342.399 2.544 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cc2occc2[nH]1 ZINC001481237095 1098702279 /nfs/dbraw/zinc/70/22/79/1098702279.db2.gz VPGCKXHLFBHSLO-UHFFFAOYSA-N 0 3 342.355 2.531 10 5 EFBEHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC001611391392 1099007136 /nfs/dbraw/zinc/00/71/36/1099007136.db2.gz OBZQVWCCELHXKA-CABCVRRESA-N 0 3 335.379 2.789 10 5 EFBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001620641401 1099366506 /nfs/dbraw/zinc/36/65/06/1099366506.db2.gz MXIHUWBMCYBNNR-OLMNPRSZSA-N 0 3 334.416 2.503 10 5 EFBEHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)C1CCCCC1 ZINC001628112929 1100063667 /nfs/dbraw/zinc/06/36/67/1100063667.db2.gz VLLDHSIGIGRFAZ-UHFFFAOYSA-N 0 3 334.420 2.514 10 5 EFBEHN C[C@H]1CCCN(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001629984066 1100266080 /nfs/dbraw/zinc/26/60/80/1100266080.db2.gz OCVOSXWGRBHEOS-JTQLQIEISA-N 0 3 343.786 2.849 10 5 EFBEHN CN(C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c(F)c1 ZINC001637933646 1100819003 /nfs/dbraw/zinc/81/90/03/1100819003.db2.gz JCYWLUXYSAECNK-UHFFFAOYSA-N 0 3 332.335 2.630 10 5 EFBEHN CC(C)(C)CCN1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001642119750 1101191015 /nfs/dbraw/zinc/19/10/15/1101191015.db2.gz IDOJSCUTGDQIGU-UHFFFAOYSA-N 0 3 339.411 2.784 10 5 EFBEHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001652233781 1101457314 /nfs/dbraw/zinc/45/73/14/1101457314.db2.gz BKVGKVPRTIIMKN-GFCCVEGCSA-N 0 3 334.376 2.956 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CN(C)CC1(C)C ZINC001652491553 1101500371 /nfs/dbraw/zinc/50/03/71/1101500371.db2.gz LJNVOVJUBVARBK-HOCLYGCPSA-N 0 3 333.432 2.620 10 5 EFBEHN CCN1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C(C)(C)C1 ZINC001652603583 1101520323 /nfs/dbraw/zinc/52/03/23/1101520323.db2.gz NIVNJMXFMMSFDE-AWEZNQCLSA-N 0 3 330.388 2.536 10 5 EFBEHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001655965212 1101918067 /nfs/dbraw/zinc/91/80/67/1101918067.db2.gz KLRVHEFLCGPJHK-AWEZNQCLSA-N 0 3 349.822 2.924 10 5 EFBEHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1(F)CCCC1 ZINC001656143286 1101974109 /nfs/dbraw/zinc/97/41/09/1101974109.db2.gz MLZMTSRNOROIJH-OTVXOJSOSA-N 0 3 349.406 2.862 10 5 EFBEHN Cn1cc(CN2CCCC[C@H]2Cc2ccc(O)cc2)c([N+](=O)[O-])n1 ZINC001656470171 1102102585 /nfs/dbraw/zinc/10/25/85/1102102585.db2.gz USNWSSCJTVBNPF-HNNXBMFYSA-N 0 3 330.388 2.631 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1([C@H]2CCCO2)CCC1 ZINC001656524327 1102113855 /nfs/dbraw/zinc/11/38/55/1102113855.db2.gz VYZQVFUSTMDGJL-CQSZACIVSA-N 0 3 333.388 2.533 10 5 EFBEHN CCN(CCCNC(=O)CC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001660497859 1102798723 /nfs/dbraw/zinc/79/87/23/1102798723.db2.gz LKHBNNQOPWTUFH-UHFFFAOYSA-N 0 3 347.337 2.875 10 5 EFBEHN CC(C)(C)/C=C/C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001661403941 1103255449 /nfs/dbraw/zinc/25/54/49/1103255449.db2.gz ZFLJHQNUUMWKGP-VGRCQALKSA-N 0 3 331.416 2.934 10 5 EFBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)C1CCCC1 ZINC001483449007 1103737632 /nfs/dbraw/zinc/73/76/32/1103737632.db2.gz NZTVOKJNHZGQIO-UHFFFAOYSA-N 0 3 325.434 2.785 10 5 EFBEHN Cc1ncccc1C(=O)N(C)CCCNCc1csc([N+](=O)[O-])c1 ZINC001483488204 1103815855 /nfs/dbraw/zinc/81/58/55/1103815855.db2.gz LPDRBZJWJARPMQ-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]cc1C1CC1 ZINC001664277632 1104337889 /nfs/dbraw/zinc/33/78/89/1104337889.db2.gz QNGVVCMVCYLTKN-UHFFFAOYSA-N 0 3 342.399 2.662 10 5 EFBEHN CCN1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906624435 1104359238 /nfs/dbraw/zinc/35/92/38/1104359238.db2.gz MAAVRLKOUJCIPK-UHFFFAOYSA-N 0 3 339.823 2.735 10 5 EFBEHN Cc1ccc(C(=O)NCC2(NCc3ccc([N+](=O)[O-])cc3)CCC2)o1 ZINC001484623599 1113072713 /nfs/dbraw/zinc/07/27/13/1113072713.db2.gz QCKNFDDYCDNMGU-UHFFFAOYSA-N 0 3 343.383 2.939 10 5 EFBEHN O=C(CCC1CC1)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001484628334 1113077315 /nfs/dbraw/zinc/07/73/15/1113077315.db2.gz UHTHFBIOPYNEDQ-UHFFFAOYSA-N 0 3 331.416 2.914 10 5 EFBEHN CC1(CC(=O)NCC2(NCc3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001484644059 1113085745 /nfs/dbraw/zinc/08/57/45/1113085745.db2.gz QKXNRDQUHIWGMN-UHFFFAOYSA-N 0 3 331.416 2.914 10 5 EFBEHN Cc1nccn1C[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000178289829 232126671 /nfs/dbraw/zinc/12/66/71/232126671.db2.gz ZUNPWGVRAODJSQ-MRXNPFEDSA-N 0 3 330.388 2.643 10 5 EFBEHN Cc1nccn1C[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000178291222 232127334 /nfs/dbraw/zinc/12/73/34/232127334.db2.gz KVPRLUFDAXLQMO-MRXNPFEDSA-N 0 3 330.388 2.643 10 5 EFBEHN COc1ccc([C@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000180868522 234014053 /nfs/dbraw/zinc/01/40/53/234014053.db2.gz RHVFNQADZSSCDX-BLLLJJGKSA-N 0 3 346.383 2.996 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000183331871 235012405 /nfs/dbraw/zinc/01/24/05/235012405.db2.gz KAJNHFWMHBUMJO-QGZVFWFLSA-N 0 3 341.415 2.794 10 5 EFBEHN O=[N+]([O-])c1ccccc1CNC1CCN(Cc2ccccn2)CC1 ZINC000071792534 215828390 /nfs/dbraw/zinc/82/83/90/215828390.db2.gz YZFCHEBIEATJCP-UHFFFAOYSA-N 0 3 326.400 2.744 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C(C)C)C1CCOCC1 ZINC000072685484 216293117 /nfs/dbraw/zinc/29/31/17/216293117.db2.gz FXBJGNWSNYZJHZ-UHFFFAOYSA-N 0 3 335.404 2.731 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2nc(CN3CCN4CCCC[C@H]4C3)co2)cc1 ZINC000246012257 243184393 /nfs/dbraw/zinc/18/43/93/243184393.db2.gz ZTMFHDDTQFKDMI-KRWDZBQOSA-N 0 3 342.399 2.920 10 5 EFBEHN CC[C@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000422194308 246294212 /nfs/dbraw/zinc/29/42/12/246294212.db2.gz YQHMWZWZROQSBT-HOTGVXAUSA-N 0 3 334.420 2.782 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCCN2C2CC2)c1 ZINC000433816919 248092143 /nfs/dbraw/zinc/09/21/43/248092143.db2.gz AUOCNHWCVISRNM-CQSZACIVSA-N 0 3 333.388 2.810 10 5 EFBEHN COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000010018879 211141057 /nfs/dbraw/zinc/14/10/57/211141057.db2.gz CYNNMPCCJLVCHW-QGZVFWFLSA-N 0 3 343.383 2.636 10 5 EFBEHN COC[C@@](C)(O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449384433 251006001 /nfs/dbraw/zinc/00/60/01/251006001.db2.gz NLYCSOKQNUSFHO-KRWDZBQOSA-N 0 3 334.372 2.732 10 5 EFBEHN COc1cc(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000449494180 251044040 /nfs/dbraw/zinc/04/40/40/251044040.db2.gz MXTRXULWHCHTGZ-MLGOLLRUSA-N 0 3 338.404 2.850 10 5 EFBEHN C[C@@H]1OCC[C@H]1N(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449676092 251113621 /nfs/dbraw/zinc/11/36/21/251113621.db2.gz FBUAAJAQOURHEB-SUMWQHHRSA-N 0 3 346.383 2.827 10 5 EFBEHN C[C@H]1OCC[C@@H]1N(CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449679065 251113642 /nfs/dbraw/zinc/11/36/42/251113642.db2.gz QULGHDCWCNCCCC-CJNGLKHVSA-N 0 3 346.383 2.827 10 5 EFBEHN COCCN1CCC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450310603 251339684 /nfs/dbraw/zinc/33/96/84/251339684.db2.gz XNNDILFJBLGYMN-CYBMUJFWSA-N 0 3 330.388 2.666 10 5 EFBEHN CN(C)CCN(Cc1ccco1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450375945 251365575 /nfs/dbraw/zinc/36/55/75/251365575.db2.gz GAOXCHKWEFPVFP-UHFFFAOYSA-N 0 3 329.360 2.632 10 5 EFBEHN O=[N+]([O-])c1ccc(CCN2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000152496589 223974989 /nfs/dbraw/zinc/97/49/89/223974989.db2.gz ZTXFZOAJWZHBAY-HNNXBMFYSA-N 0 3 341.415 2.943 10 5 EFBEHN COc1ccc(OC)c([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000178565418 532985060 /nfs/dbraw/zinc/98/50/60/532985060.db2.gz LHCGMWZHAKWILW-SJCJKPOMSA-N 0 3 346.383 2.996 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000174122727 533224676 /nfs/dbraw/zinc/22/46/76/533224676.db2.gz UVYSJHDEOMVZKN-VXGBXAGGSA-N 0 3 336.392 2.550 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000344844771 533408696 /nfs/dbraw/zinc/40/86/96/533408696.db2.gz CHUXRPCQKVQMEI-XIVLCOFXSA-N 0 3 329.400 2.597 10 5 EFBEHN O=[N+]([O-])c1cnc2c(c1)CN(CCCOCc1ccccc1)CC2 ZINC000347783941 142271641 /nfs/dbraw/zinc/27/16/41/142271641.db2.gz KQHPLSSBKWVPTH-UHFFFAOYSA-N 0 3 327.384 2.955 10 5 EFBEHN C[C@@H](C(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000347843171 142280943 /nfs/dbraw/zinc/28/09/43/142280943.db2.gz JGOYOVXUMBHEGG-RISCZKNCSA-N 0 3 335.379 2.533 10 5 EFBEHN C[C@H](C(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000347843170 142281023 /nfs/dbraw/zinc/28/10/23/142281023.db2.gz JGOYOVXUMBHEGG-FZMZJTMJSA-N 0 3 335.379 2.533 10 5 EFBEHN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)ccc1[N+](=O)[O-] ZINC000342122153 145065811 /nfs/dbraw/zinc/06/58/11/145065811.db2.gz NJJGUDXYJQICHI-KRWDZBQOSA-N 0 3 341.411 2.806 10 5 EFBEHN CCOc1ccc([C@H](C)NC[C@@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000348684348 145986985 /nfs/dbraw/zinc/98/69/85/145986985.db2.gz PEXPDLZEEZARDE-BBRMVZONSA-N 0 3 345.399 2.815 10 5 EFBEHN COC(=O)COc1ccc(CN2C[C@@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000355730842 147047160 /nfs/dbraw/zinc/04/71/60/147047160.db2.gz PKQIXOOWHFEIOA-QWHCGFSZSA-N 0 3 336.388 2.767 10 5 EFBEHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000360241769 148308530 /nfs/dbraw/zinc/30/85/30/148308530.db2.gz LHSAZAVUTCTJHJ-UHFFFAOYSA-N 0 3 328.372 2.633 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2nc(CN3CCN4CCC3CC4)cs2)c1 ZINC000368046582 150018546 /nfs/dbraw/zinc/01/85/46/150018546.db2.gz ZCXYSEDUAFXCGS-UHFFFAOYSA-N 0 3 344.440 2.998 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000368151209 150051133 /nfs/dbraw/zinc/05/11/33/150051133.db2.gz ZHHFHCKZOPOUJL-MAUKXSAKSA-N 0 3 327.384 2.588 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000368484834 150129572 /nfs/dbraw/zinc/12/95/72/150129572.db2.gz CKQGJBFYHGKOLQ-MRXNPFEDSA-N 0 3 327.384 2.933 10 5 EFBEHN CCOC(=O)c1ccnc(NC2CC(N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000369557404 150387716 /nfs/dbraw/zinc/38/77/16/150387716.db2.gz VJUGDSRNZBWBBH-UHFFFAOYSA-N 0 3 348.403 2.595 10 5 EFBEHN CN(C)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160101498 225339165 /nfs/dbraw/zinc/33/91/65/225339165.db2.gz FTMNMCXTQRNXOF-JTQLQIEISA-N 0 3 346.309 2.781 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000123118025 222219221 /nfs/dbraw/zinc/21/92/21/222219221.db2.gz FTSYRLGCEOWADK-IUODEOHRSA-N 0 3 346.431 2.724 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187185332 265091331 /nfs/dbraw/zinc/09/13/31/265091331.db2.gz ZGLKFCSEEBZNBO-DYVFJYSZSA-N 0 3 342.399 2.719 10 5 EFBEHN C[C@@H](NC[C@@H](O)COCc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000271814780 266067272 /nfs/dbraw/zinc/06/72/72/266067272.db2.gz ZAOLQWUYEZDBDO-CHWSQXEVSA-N 0 3 336.413 2.885 10 5 EFBEHN CC(C)(C)[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000272264364 266208655 /nfs/dbraw/zinc/20/86/55/266208655.db2.gz AEAJPDIALMRUGZ-BBRMVZONSA-N 0 3 349.431 2.652 10 5 EFBEHN COc1cc(CNC[C@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272438388 266265340 /nfs/dbraw/zinc/26/53/40/266265340.db2.gz OHUDAYZXSGHHIF-VHSXEESVSA-N 0 3 330.331 2.993 10 5 EFBEHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC1CCN(C)CC1 ZINC000273235654 266470497 /nfs/dbraw/zinc/47/04/97/266470497.db2.gz SHFPTKWQAQKCFF-UHFFFAOYSA-N 0 3 339.823 2.939 10 5 EFBEHN C[C@@H]1CN(CCCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)O1 ZINC000277356417 267163021 /nfs/dbraw/zinc/16/30/21/267163021.db2.gz ARIDUMMIOIBQMH-CHWSQXEVSA-N 0 3 347.419 2.772 10 5 EFBEHN COc1cc(CN[C@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000277552513 267195648 /nfs/dbraw/zinc/19/56/48/267195648.db2.gz SUYYBXNIBGPJTP-KOLCDFICSA-N 0 3 346.330 2.719 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC1CCN(C)CC1 ZINC000278048822 267329016 /nfs/dbraw/zinc/32/90/16/267329016.db2.gz SWDLLKSFFKLBNY-UHFFFAOYSA-N 0 3 339.823 2.970 10 5 EFBEHN CC(C)(C)OC(=O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000178507942 273040431 /nfs/dbraw/zinc/04/04/31/273040431.db2.gz BNWKPBRXNJURHI-CYBMUJFWSA-N 0 3 336.388 2.637 10 5 EFBEHN CCN1CCC[C@@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000279124426 273179442 /nfs/dbraw/zinc/17/94/42/273179442.db2.gz WDNSUWSQCYICKB-GFCCVEGCSA-N 0 3 325.796 2.771 10 5 EFBEHN Cc1ccc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1[N+](=O)[O-] ZINC000282604069 273587588 /nfs/dbraw/zinc/58/75/88/273587588.db2.gz DDLQIIXUWTYILI-NVXWUHKLSA-N 0 3 334.416 2.561 10 5 EFBEHN CC(C)(C)[C@H](O)C[C@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000284279106 273818412 /nfs/dbraw/zinc/81/84/12/273818412.db2.gz JSJPCFMYECZKGF-XOKHGSTOSA-N 0 3 336.432 2.720 10 5 EFBEHN C[C@@H]1C[C@@H]1N1C[C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433289359 274397318 /nfs/dbraw/zinc/39/73/18/274397318.db2.gz OQEWZWMPCXTWOF-SKNMWMDOSA-N 0 3 343.427 2.916 10 5 EFBEHN C[C@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)N(C)C ZINC000357867899 278207407 /nfs/dbraw/zinc/20/74/07/278207407.db2.gz XFGSFNWOBAWWRU-ZIAGYGMSSA-N 0 3 348.447 2.511 10 5 EFBEHN C[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000095408319 278416155 /nfs/dbraw/zinc/41/61/55/278416155.db2.gz SKKGQUCOPJQIFZ-AWEZNQCLSA-N 0 3 331.416 2.990 10 5 EFBEHN CN1CCC(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000291882269 294511282 /nfs/dbraw/zinc/51/12/82/294511282.db2.gz IJECMTSZPOJGKL-UHFFFAOYSA-N 0 3 333.432 2.766 10 5 EFBEHN CN1CCC(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000292026964 294555969 /nfs/dbraw/zinc/55/59/69/294555969.db2.gz CKZZENDQYRNHEV-UHFFFAOYSA-N 0 3 325.796 2.596 10 5 EFBEHN C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295358638 295306314 /nfs/dbraw/zinc/30/63/14/295306314.db2.gz NVMDFWNZVLNBDJ-YVEFUNNKSA-N 0 3 337.395 2.985 10 5 EFBEHN Cc1sc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000298284469 310975013 /nfs/dbraw/zinc/97/50/13/310975013.db2.gz BZTBUTUTSAHQBK-CQSZACIVSA-N 0 3 333.413 2.997 10 5 EFBEHN CN(C)CCN1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000298739300 311019414 /nfs/dbraw/zinc/01/94/14/311019414.db2.gz ROPWYUMFMNEDKT-UHFFFAOYSA-N 0 3 343.431 2.581 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299010892 311041639 /nfs/dbraw/zinc/04/16/39/311041639.db2.gz LTJCBDXKUHRNCX-GFCCVEGCSA-N 0 3 330.388 2.680 10 5 EFBEHN O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000301728108 311155234 /nfs/dbraw/zinc/15/52/34/311155234.db2.gz RATMFQXIHOHMCH-UONOGXRCSA-N 0 3 339.823 2.674 10 5 EFBEHN Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CCN(CCN(C)C)CC1 ZINC000302804031 311202109 /nfs/dbraw/zinc/20/21/09/311202109.db2.gz DTFNFLPZLOBPJW-UHFFFAOYSA-N 0 3 340.855 2.995 10 5 EFBEHN CC(C)[C@@](C)(CO)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000398569042 311964346 /nfs/dbraw/zinc/96/43/46/311964346.db2.gz KWKKKOWRMMSLJP-CYBMUJFWSA-N 0 3 331.210 2.854 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CNCCC3(F)F)o2)cc1 ZINC000414993545 312073227 /nfs/dbraw/zinc/07/32/27/312073227.db2.gz CMVMVWWFWXFQOR-OAHLLOKOSA-N 0 3 337.326 2.942 10 5 EFBEHN CCNC(=O)N1CC[C@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304594 312206354 /nfs/dbraw/zinc/20/63/54/312206354.db2.gz CESMBUZBTZKGQI-WMLDXEAASA-N 0 3 346.431 2.756 10 5 EFBEHN O=[N+]([O-])c1ccccc1C[C@@H](N[C@H]1CNCCC1(F)F)C1CC1 ZINC000423485807 312423486 /nfs/dbraw/zinc/42/34/86/312423486.db2.gz RWWFJUXQHKNTQW-HIFRSBDPSA-N 0 3 325.359 2.503 10 5 EFBEHN CC1(C)C[C@H](N[C@@H]2CNCCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000423489720 312423915 /nfs/dbraw/zinc/42/39/15/312423915.db2.gz WXWFJFCULHRDMH-UONOGXRCSA-N 0 3 325.359 2.904 10 5 EFBEHN CN(C)CCOC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488044428 313453182 /nfs/dbraw/zinc/45/31/82/313453182.db2.gz BKJRJEWDMQRKKC-UHFFFAOYSA-N 0 3 344.415 2.690 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000515087269 315591773 /nfs/dbraw/zinc/59/17/73/315591773.db2.gz GVDBNZBNKDGZJK-IRXDYDNUSA-N 0 3 346.408 2.514 10 5 EFBEHN Cc1cnc(CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000566007105 319022729 /nfs/dbraw/zinc/02/27/29/319022729.db2.gz FZBGHHGVAAQUEU-HNNXBMFYSA-N 0 3 341.415 2.731 10 5 EFBEHN C[C@](O)(CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000566129072 319037046 /nfs/dbraw/zinc/03/70/46/319037046.db2.gz VFMRYNGPJMKTTR-ZDUSSCGKSA-N 0 3 331.294 2.522 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](CO)C[C@H](O)C(C)(C)C ZINC000568636079 319304063 /nfs/dbraw/zinc/30/40/63/319304063.db2.gz YLFATZXILPVEDE-RLSVRPBNSA-N 0 3 336.432 2.746 10 5 EFBEHN CCc1ccc(C(=O)N2CCc3ccccc3[C@@H]2CN)cc1[N+](=O)[O-] ZINC000570571441 319490092 /nfs/dbraw/zinc/49/00/92/319490092.db2.gz IHLYIFSRJGNJLJ-SFHVURJKSA-N 0 3 339.395 2.856 10 5 EFBEHN C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CCN(C2CC2)C1 ZINC000577949636 320159066 /nfs/dbraw/zinc/15/90/66/320159066.db2.gz YPAGIMXCKFNGNB-ZDUSSCGKSA-N 0 3 330.432 2.789 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000183301094 323328239 /nfs/dbraw/zinc/32/82/39/323328239.db2.gz INBGFUDPARHABL-FCEWJHQRSA-N 0 3 347.459 2.977 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(C2CCC2)CC1 ZINC000296771760 323615558 /nfs/dbraw/zinc/61/55/58/323615558.db2.gz AIYXUTCJSAFTHX-UHFFFAOYSA-N 0 3 347.415 2.740 10 5 EFBEHN CCn1cnnc1[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000161264507 473222089 /nfs/dbraw/zinc/22/20/89/473222089.db2.gz QRDFNBPUPOUHDD-OAHLLOKOSA-N 0 3 329.404 2.628 10 5 EFBEHN CCn1cnnc1[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000161265422 473222153 /nfs/dbraw/zinc/22/21/53/473222153.db2.gz JIWGXGRQFRLGGM-HNNXBMFYSA-N 0 3 329.404 2.894 10 5 EFBEHN COCCN1CCC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112079955 473241166 /nfs/dbraw/zinc/24/11/66/473241166.db2.gz JGHUDEFDWLOGAN-ZDUSSCGKSA-N 0 3 330.388 2.666 10 5 EFBEHN CCN1CCC[C@H](Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000112076082 473241547 /nfs/dbraw/zinc/24/15/47/473241547.db2.gz WGMRSUMWKQKDGC-AWEZNQCLSA-N 0 3 334.420 2.629 10 5 EFBEHN CC(C)N1C[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000184877591 473260885 /nfs/dbraw/zinc/26/08/85/473260885.db2.gz KCLYPPAFFGTAII-MKBNYLNASA-N 0 3 337.395 2.682 10 5 EFBEHN Cc1ccnc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190446507 473277034 /nfs/dbraw/zinc/27/70/34/473277034.db2.gz RZTUJSGSUZOMDT-INIZCTEOSA-N 0 3 341.415 2.652 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190447957 473277143 /nfs/dbraw/zinc/27/71/43/473277143.db2.gz DTBUAHGYXQZCFE-MRXNPFEDSA-N 0 3 341.415 2.652 10 5 EFBEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190483564 473290811 /nfs/dbraw/zinc/29/08/11/473290811.db2.gz JDJFGBBIKGFJCQ-GOSISDBHSA-N 0 3 340.427 2.944 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000177036921 473291160 /nfs/dbraw/zinc/29/11/60/473291160.db2.gz CJKDDEIBKCKGRK-GFCCVEGCSA-N 0 3 337.445 2.873 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000177033073 473291589 /nfs/dbraw/zinc/29/15/89/473291589.db2.gz ISBYVYPSUARMDB-CYBMUJFWSA-N 0 3 330.388 2.632 10 5 EFBEHN CCC[C@@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])N(C)C ZINC000162248166 473321324 /nfs/dbraw/zinc/32/13/24/473321324.db2.gz QQXOGTQRWBOTIG-HNNXBMFYSA-N 0 3 336.436 2.552 10 5 EFBEHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000113197901 473364829 /nfs/dbraw/zinc/36/48/29/473364829.db2.gz JCFYWZVXVOLQCM-GFCCVEGCSA-N 0 3 325.434 2.959 10 5 EFBEHN CC[C@@H]1CN(C)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000619867566 479898845 /nfs/dbraw/zinc/89/88/45/479898845.db2.gz WHUZYUIKRQPETN-GFCCVEGCSA-N 0 3 330.388 2.632 10 5 EFBEHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCCN1Cc1ccccc1 ZINC000067384736 472027399 /nfs/dbraw/zinc/02/73/99/472027399.db2.gz ODMMEPULXGRAAC-OAHLLOKOSA-N 0 3 329.404 2.795 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CN(C)C ZINC000024810962 472068917 /nfs/dbraw/zinc/06/89/17/472068917.db2.gz JORYAXXMHWZAES-UHFFFAOYSA-N 0 3 329.356 2.917 10 5 EFBEHN CN(C)CCOc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000068234916 472154768 /nfs/dbraw/zinc/15/47/68/472154768.db2.gz MSHLMZBOXDZDPG-UHFFFAOYSA-N 0 3 329.356 2.788 10 5 EFBEHN CN(C)CCN1C(=O)c2cccc3cc4cc(O)ccc4c(c32)C1=O ZINC000027550248 472180833 /nfs/dbraw/zinc/18/08/33/472180833.db2.gz FGYONXPSZOCZMC-UHFFFAOYSA-N 0 3 334.375 2.856 10 5 EFBEHN CN(C)CCNC(=O)c1cccc2nc3ccc4cnccc4c3nc21 ZINC000027767099 472195429 /nfs/dbraw/zinc/19/54/29/472195429.db2.gz IRJVADJSOOEUAI-UHFFFAOYSA-N 0 3 345.406 2.623 10 5 EFBEHN O=C1CC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000076759055 472399895 /nfs/dbraw/zinc/39/98/95/472399895.db2.gz ZBUUTVYXBILVCH-LBPRGKRZSA-N 0 3 331.397 2.692 10 5 EFBEHN Cc1cc(NCCCN2CCCC2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083745 472437282 /nfs/dbraw/zinc/43/72/82/472437282.db2.gz VXSYHSWBEUHGIY-UHFFFAOYSA-N 0 3 328.372 2.876 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154569406 472447636 /nfs/dbraw/zinc/44/76/36/472447636.db2.gz RLMBHEMDQHCCAJ-ZDUSSCGKSA-N 0 3 342.399 2.699 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000155614650 472581082 /nfs/dbraw/zinc/58/10/82/472581082.db2.gz OGNYNRNUALONIR-FZMZJTMJSA-N 0 3 337.445 2.775 10 5 EFBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000090517877 472628277 /nfs/dbraw/zinc/62/82/77/472628277.db2.gz YFWHOOWWXKBLBA-INIZCTEOSA-N 0 3 345.374 2.603 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000047145282 472661555 /nfs/dbraw/zinc/66/15/55/472661555.db2.gz GTVGBHULUYNHEX-ZDUSSCGKSA-N 0 3 346.431 2.773 10 5 EFBEHN CC(C)c1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000106379928 472846191 /nfs/dbraw/zinc/84/61/91/472846191.db2.gz GXWHFOBUQRKEQO-INIZCTEOSA-N 0 3 333.432 2.671 10 5 EFBEHN Cc1ccc(CN2CCC(N3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092079177 472854199 /nfs/dbraw/zinc/85/41/99/472854199.db2.gz GJKBFJZFILRQTP-OAHLLOKOSA-N 0 3 333.432 2.588 10 5 EFBEHN CCC[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CCN1CCOC ZINC000121894538 472938727 /nfs/dbraw/zinc/93/87/27/472938727.db2.gz VXVAPDLUVPANBY-CQSZACIVSA-N 0 3 327.450 2.589 10 5 EFBEHN COc1cc(CN2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])cc1OC ZINC000092810822 472988580 /nfs/dbraw/zinc/98/85/80/472988580.db2.gz QUJYLVOSWRAWJY-UHFFFAOYSA-N 0 3 346.387 2.715 10 5 EFBEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000159613697 473044699 /nfs/dbraw/zinc/04/46/99/473044699.db2.gz LLAXYIBNIBJQEV-TZMCWYRMSA-N 0 3 343.383 2.941 10 5 EFBEHN CCNc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000122914620 473073398 /nfs/dbraw/zinc/07/33/98/473073398.db2.gz PPGODZIZBPHTOG-OCCSQVGLSA-N 0 3 334.420 2.581 10 5 EFBEHN Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000052555165 473124445 /nfs/dbraw/zinc/12/44/45/473124445.db2.gz HFPWSSAIYGWTGK-INIZCTEOSA-N 0 3 327.384 2.936 10 5 EFBEHN O=C(CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCCC1 ZINC000075126865 473133654 /nfs/dbraw/zinc/13/36/54/473133654.db2.gz JDGWJPJIHIWIIY-UHFFFAOYSA-N 0 3 343.383 2.957 10 5 EFBEHN CCc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000081057396 473138392 /nfs/dbraw/zinc/13/83/92/473138392.db2.gz RBSDDPLNRRUGLR-CABCVRRESA-N 0 3 332.404 2.858 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1C ZINC000123464487 473143490 /nfs/dbraw/zinc/14/34/90/473143490.db2.gz APKLWHRINAJVCI-MFKMUULPSA-N 0 3 325.796 2.803 10 5 EFBEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000177706639 473420475 /nfs/dbraw/zinc/42/04/75/473420475.db2.gz USRKBEHFKYTOQG-GJZGRUSLSA-N 0 3 348.447 2.646 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])CCN1C ZINC000127664164 473638493 /nfs/dbraw/zinc/63/84/93/473638493.db2.gz HEQRWHOJUWUJIL-STQMWFEESA-N 0 3 337.445 2.628 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000127806659 473652235 /nfs/dbraw/zinc/65/22/35/473652235.db2.gz OWTFCZKTQGKHTB-CMPLNLGQSA-N 0 3 325.796 2.803 10 5 EFBEHN C/C(=C/c1ccccc1)CN[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000192684720 473706771 /nfs/dbraw/zinc/70/67/71/473706771.db2.gz LSTAWHMHTDVCGO-AXMFATFGSA-N 0 3 342.395 2.682 10 5 EFBEHN COC(=O)c1cc(C)nc(NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000287610049 473711224 /nfs/dbraw/zinc/71/12/24/473711224.db2.gz GACXKZHOZJIELC-ZDUSSCGKSA-N 0 3 348.403 2.514 10 5 EFBEHN CN1CCNC[C@@H]1c1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000263314626 473746895 /nfs/dbraw/zinc/74/68/95/473746895.db2.gz ZGZWDSCLSKXSQW-CQSZACIVSA-N 0 3 345.403 2.518 10 5 EFBEHN CN1CCNC[C@H]1c1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000263314620 473747382 /nfs/dbraw/zinc/74/73/82/473747382.db2.gz ZGZWDSCLSKXSQW-AWEZNQCLSA-N 0 3 345.403 2.518 10 5 EFBEHN Cc1nccn1C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194042803 473832558 /nfs/dbraw/zinc/83/25/58/473832558.db2.gz UGQZNWORCGBVFI-OAHLLOKOSA-N 0 3 345.359 2.673 10 5 EFBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000246558350 473900458 /nfs/dbraw/zinc/90/04/58/473900458.db2.gz LRVSDNNCTDAHRQ-OLZOCXBDSA-N 0 3 337.807 2.947 10 5 EFBEHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000246716983 473940875 /nfs/dbraw/zinc/94/08/75/473940875.db2.gz XJDIDEVFIJGYAJ-FZMZJTMJSA-N 0 3 337.807 2.805 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000246844001 473981503 /nfs/dbraw/zinc/98/15/03/473981503.db2.gz FDHLZTJTCKRDQY-IUODEOHRSA-N 0 3 337.445 2.532 10 5 EFBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246905623 473999773 /nfs/dbraw/zinc/99/97/73/473999773.db2.gz HVQLIONIBKLLMG-AAEUAGOBSA-N 0 3 337.807 2.947 10 5 EFBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000246945581 474012184 /nfs/dbraw/zinc/01/21/84/474012184.db2.gz LEUXXGGPDVAYEI-KGLIPLIRSA-N 0 3 337.807 2.947 10 5 EFBEHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000288943635 474097544 /nfs/dbraw/zinc/09/75/44/474097544.db2.gz RTDJMNTWHOWLTG-INIZCTEOSA-N 0 3 343.431 2.830 10 5 EFBEHN COc1ccc([C@@H]2C[C@@H](C)N(CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000174869576 474109671 /nfs/dbraw/zinc/10/96/71/474109671.db2.gz LNACADRCSKEFNX-UKRRQHHQSA-N 0 3 330.388 2.678 10 5 EFBEHN Cc1c(CN2CCCC[C@@H](N3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000174877661 474111578 /nfs/dbraw/zinc/11/15/78/474111578.db2.gz SHBQCOXNVCCDTE-GOSISDBHSA-N 0 3 346.475 2.505 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174884576 474112843 /nfs/dbraw/zinc/11/28/43/474112843.db2.gz NVFAKEDLWBSHKP-APWZRJJASA-N 0 3 346.475 2.758 10 5 EFBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000188506113 474113759 /nfs/dbraw/zinc/11/37/59/474113759.db2.gz QISSFRRUYKOQCL-HUUCEWRRSA-N 0 3 347.415 2.611 10 5 EFBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000174960300 474122807 /nfs/dbraw/zinc/12/28/07/474122807.db2.gz LEUXXGGPDVAYEI-UONOGXRCSA-N 0 3 337.807 2.947 10 5 EFBEHN O=C(NCc1ccc2c(c1)CNC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000188667135 474159869 /nfs/dbraw/zinc/15/98/69/474159869.db2.gz KKEGIHBAODTCCS-UHFFFAOYSA-N 0 3 331.759 2.781 10 5 EFBEHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc2c(c1)CNC2 ZINC000188671061 474162599 /nfs/dbraw/zinc/16/25/99/474162599.db2.gz LVUSELQKFJYECM-UHFFFAOYSA-N 0 3 345.786 2.710 10 5 EFBEHN O=C(NC1CC(N2CCCCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000225436900 474211998 /nfs/dbraw/zinc/21/19/98/474211998.db2.gz RGDYEDQJTONCQH-UHFFFAOYSA-N 0 3 337.807 2.995 10 5 EFBEHN CN(C)[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182625394 474221135 /nfs/dbraw/zinc/22/11/35/474221135.db2.gz RQOFZQWQBGUCQA-NSHDSACASA-N 0 3 343.836 2.503 10 5 EFBEHN CN1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000247982161 474238743 /nfs/dbraw/zinc/23/87/43/474238743.db2.gz HSOQJKBVQAUOHL-IEBWSBKVSA-N 0 3 339.395 2.699 10 5 EFBEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183224065 474353442 /nfs/dbraw/zinc/35/34/42/474353442.db2.gz GGLNLFWYYGSWQF-BHDSKKPTSA-N 0 3 341.795 2.732 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000275900708 474356423 /nfs/dbraw/zinc/35/64/23/474356423.db2.gz UCKFPOXRVVZFHU-OLZOCXBDSA-N 0 3 337.807 2.865 10 5 EFBEHN CC[C@@H](NC(=O)NCCN(CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000176083339 474379233 /nfs/dbraw/zinc/37/92/33/474379233.db2.gz RPFFXUAPYDSVPC-MRXNPFEDSA-N 0 3 334.420 2.829 10 5 EFBEHN Cc1cc(C)cc([C@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000183465145 474382001 /nfs/dbraw/zinc/38/20/01/474382001.db2.gz ZLOMXLIETQFFPG-INIZCTEOSA-N 0 3 341.411 2.863 10 5 EFBEHN CCO[C@@H]1C[C@@H](O)C12CCN([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000265927700 474389341 /nfs/dbraw/zinc/38/93/41/474389341.db2.gz CVBNEVDPDUPCIG-IAOVAPTHSA-N 0 3 334.416 2.908 10 5 EFBEHN CCO[C@@H]1C[C@@H](O)C12CCN([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000265927701 474389413 /nfs/dbraw/zinc/38/94/13/474389413.db2.gz CVBNEVDPDUPCIG-KBRIMQKVSA-N 0 3 334.416 2.908 10 5 EFBEHN CCO[C@@H]1C[C@H](O)C12CCN([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000265927702 474390402 /nfs/dbraw/zinc/39/04/02/474390402.db2.gz CVBNEVDPDUPCIG-RRQGHBQHSA-N 0 3 334.416 2.908 10 5 EFBEHN CC[C@@H](NC(=O)NC[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176174343 474401244 /nfs/dbraw/zinc/40/12/44/474401244.db2.gz CYICFDIPQFUSAT-CZUORRHYSA-N 0 3 334.420 2.687 10 5 EFBEHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H](O)C(F)(F)F ZINC000271173820 474420225 /nfs/dbraw/zinc/42/02/25/474420225.db2.gz UTQHFZUKEADJRC-CABZTGNLSA-N 0 3 338.351 2.978 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CCCN(c3ccccn3)CC2)c1 ZINC000183773263 474427729 /nfs/dbraw/zinc/42/77/29/474427729.db2.gz PTNJSVWGAXKZBO-UHFFFAOYSA-N 0 3 342.399 2.581 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CCCN(c3ccccn3)CC2)cc1 ZINC000183825179 474435356 /nfs/dbraw/zinc/43/53/56/474435356.db2.gz OSSKIJZYIUGIKL-UHFFFAOYSA-N 0 3 342.399 2.581 10 5 EFBEHN COc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284033816 474555566 /nfs/dbraw/zinc/55/55/66/474555566.db2.gz JLWUKNBIHUUPQP-MEDUHNTESA-N 0 3 331.372 2.570 10 5 EFBEHN CCOC(=O)c1csc(CCNCc2ccccc2[N+](=O)[O-])n1 ZINC000190342391 474581266 /nfs/dbraw/zinc/58/12/66/474581266.db2.gz LDXJHNYAHYKZFB-UHFFFAOYSA-N 0 3 335.385 2.560 10 5 EFBEHN CCOC(=O)c1csc(CCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC000190342310 474581375 /nfs/dbraw/zinc/58/13/75/474581375.db2.gz NOPDDQQYNUIYNY-UHFFFAOYSA-N 0 3 335.385 2.560 10 5 EFBEHN C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2Br)CCN1C ZINC000267283495 474637707 /nfs/dbraw/zinc/63/77/07/474637707.db2.gz VUEJAQZXMBNULD-NXEZZACHSA-N 0 3 343.225 2.671 10 5 EFBEHN COc1ccc(CN(C)[C@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000252512620 474691393 /nfs/dbraw/zinc/69/13/93/474691393.db2.gz TVOMOHXIRDWKOQ-FUHWJXTLSA-N 0 3 328.368 2.694 10 5 EFBEHN COc1cccc(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)n1 ZINC000340846559 474712330 /nfs/dbraw/zinc/71/23/30/474712330.db2.gz TUCYKMZQCNBXHR-UHFFFAOYSA-N 0 3 338.367 2.932 10 5 EFBEHN O=[N+]([O-])c1ccc(NCc2ccc(CN3CCC(O)CC3)cc2)cn1 ZINC000344419903 474737775 /nfs/dbraw/zinc/73/77/75/474737775.db2.gz OEUSXRQZYRKZSD-UHFFFAOYSA-N 0 3 342.399 2.559 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCN(C)C1CC1 ZINC000278818159 474851729 /nfs/dbraw/zinc/85/17/29/474851729.db2.gz UJNAOMJPERJOAM-UHFFFAOYSA-N 0 3 325.796 2.723 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000278895051 474899096 /nfs/dbraw/zinc/89/90/96/474899096.db2.gz ZTQZRCAXWSJKFR-LLVKDONJSA-N 0 3 337.807 2.937 10 5 EFBEHN COc1ccc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341035214 474902049 /nfs/dbraw/zinc/90/20/49/474902049.db2.gz IKGQHQNATQWCRO-BETUJISGSA-N 0 3 335.404 2.596 10 5 EFBEHN CN1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000613860529 480134266 /nfs/dbraw/zinc/13/42/66/480134266.db2.gz OBLBWENPPKFRGC-JTQLQIEISA-N 0 3 346.309 2.829 10 5 EFBEHN COc1cc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000341069102 474938823 /nfs/dbraw/zinc/93/88/23/474938823.db2.gz NUCVPRBAPLZZFX-BETUJISGSA-N 0 3 335.404 2.596 10 5 EFBEHN CCOc1ccc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341071894 474942545 /nfs/dbraw/zinc/94/25/45/474942545.db2.gz SDNVSSGLGYBGQJ-OKILXGFUSA-N 0 3 349.431 2.986 10 5 EFBEHN C[C@H]1[C@@H](NCc2cccc([N+](=O)[O-])c2)CC(=O)N1Cc1ccccc1 ZINC000341552573 475137331 /nfs/dbraw/zinc/13/73/31/475137331.db2.gz HCLPDAWTRRDNSW-KSSFIOAISA-N 0 3 339.395 2.874 10 5 EFBEHN COC(=O)c1cc(N2CC[C@]3(C2)CCCN(C)C3)cc(C)c1[N+](=O)[O-] ZINC000292699883 475159165 /nfs/dbraw/zinc/15/91/65/475159165.db2.gz GAHRUNNXHCMNOY-GOSISDBHSA-N 0 3 347.415 2.612 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]1CN1CCOCC1 ZINC000347354071 475260047 /nfs/dbraw/zinc/26/00/47/475260047.db2.gz GECHJGJEGCRUBI-BAILOTOSSA-N 0 3 345.443 2.795 10 5 EFBEHN CCN1CCC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000358101696 475400949 /nfs/dbraw/zinc/40/09/49/475400949.db2.gz YVQTUBMSAJIMLE-LBPRGKRZSA-N 0 3 337.395 2.612 10 5 EFBEHN COC(=O)COc1ccc(CN2CCCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000354923743 475524770 /nfs/dbraw/zinc/52/47/70/475524770.db2.gz NOBIXDGSSPPSFO-ZDUSSCGKSA-N 0 3 336.388 2.911 10 5 EFBEHN COCC[C@H](COC)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353075372 475686985 /nfs/dbraw/zinc/68/69/85/475686985.db2.gz XABJUGIEXLZJEE-CQSZACIVSA-N 0 3 334.372 2.996 10 5 EFBEHN CN1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000355168113 475713843 /nfs/dbraw/zinc/71/38/43/475713843.db2.gz SGIZMDYILWQUAI-JTQLQIEISA-N 0 3 346.309 2.829 10 5 EFBEHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(-n2cncn2)cc1 ZINC000348668801 475807387 /nfs/dbraw/zinc/80/73/87/475807387.db2.gz FKYOETPRCUGYJT-UHFFFAOYSA-N 0 3 337.383 2.850 10 5 EFBEHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000338425094 475891554 /nfs/dbraw/zinc/89/15/54/475891554.db2.gz PSYGSQSCURXOOL-CQSZACIVSA-N 0 3 334.420 2.683 10 5 EFBEHN Cc1ccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000353578891 476095324 /nfs/dbraw/zinc/09/53/24/476095324.db2.gz VEGGOBWCBSBPOF-MRXNPFEDSA-N 0 3 331.416 2.738 10 5 EFBEHN Cc1cc(Cl)c(C(=O)N2CCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000298461265 476101228 /nfs/dbraw/zinc/10/12/28/476101228.db2.gz RPYRVODWSOCSOF-NSHDSACASA-N 0 3 325.796 2.723 10 5 EFBEHN CN(CCCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)Cc1ccccc1 ZINC000336677492 476123733 /nfs/dbraw/zinc/12/37/33/476123733.db2.gz ZJSOHOBTJCJPGW-UHFFFAOYSA-N 0 3 339.399 2.827 10 5 EFBEHN COc1ccccc1[C@@H](CNc1ccncc1[N+](=O)[O-])N1CCCC1 ZINC000357048290 476188156 /nfs/dbraw/zinc/18/81/56/476188156.db2.gz MQXPZHWBPHADIK-MRXNPFEDSA-N 0 3 342.399 2.669 10 5 EFBEHN Cc1c(NC(=O)CCN2CCC[C@@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000362447008 476257310 /nfs/dbraw/zinc/25/73/10/476257310.db2.gz JVEBWDFQAHYREY-PBHICJAKSA-N 0 3 347.415 2.733 10 5 EFBEHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc2ncsc2c1 ZINC000362573479 476313956 /nfs/dbraw/zinc/31/39/56/476313956.db2.gz SYKOYSSAZARPEX-LLVKDONJSA-N 0 3 344.396 2.717 10 5 EFBEHN CSc1cccc(C(=O)NCCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000362840347 476434932 /nfs/dbraw/zinc/43/49/32/476434932.db2.gz KJVWIUCVDPNFSZ-LBPRGKRZSA-N 0 3 337.445 2.921 10 5 EFBEHN CN1CCC(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000362845241 476438392 /nfs/dbraw/zinc/43/83/92/476438392.db2.gz YFDZHIQTKQKFSH-KRWDZBQOSA-N 0 3 349.456 2.901 10 5 EFBEHN O=[N+]([O-])c1cnccc1Nc1cccc(CN2CCSCC2)c1 ZINC000354422442 476652463 /nfs/dbraw/zinc/65/24/63/476652463.db2.gz DUFWLZUDHRAXDJ-UHFFFAOYSA-N 0 3 330.413 2.704 10 5 EFBEHN CCN1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000354424301 476653785 /nfs/dbraw/zinc/65/37/85/476653785.db2.gz IYDKRBNVRNMNTP-JQWIXIFHSA-N 0 3 325.434 2.910 10 5 EFBEHN C[C@]1(c2ccccc2)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000370396853 476790033 /nfs/dbraw/zinc/79/00/33/476790033.db2.gz RUAICZORYGGDEN-IBGZPJMESA-N 0 3 339.395 2.857 10 5 EFBEHN C[C@@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)N(C)Cc1ccccc1 ZINC000390650215 476795599 /nfs/dbraw/zinc/79/55/99/476795599.db2.gz VVEGJXDIICCDNR-ZDUSSCGKSA-N 0 3 339.399 2.825 10 5 EFBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446055055 476814145 /nfs/dbraw/zinc/81/41/45/476814145.db2.gz SGFAZXHDCUUSEG-GASCZTMLSA-N 0 3 333.432 2.907 10 5 EFBEHN Cc1cccc([C@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000452090289 476815470 /nfs/dbraw/zinc/81/54/70/476815470.db2.gz QOARVPPXHVDNOX-GOEBONIOSA-N 0 3 330.384 2.994 10 5 EFBEHN COC[C@H]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452090357 476817627 /nfs/dbraw/zinc/81/76/27/476817627.db2.gz RZPKTOKWMOUNJA-AWEZNQCLSA-N 0 3 338.404 2.731 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000375781495 477002054 /nfs/dbraw/zinc/00/20/54/477002054.db2.gz XRRCFPPKQWVSTF-QBIMZIAESA-N 0 3 344.415 2.977 10 5 EFBEHN O=C([C@@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000376003535 477126411 /nfs/dbraw/zinc/12/64/11/477126411.db2.gz MMPRVAHWBSLOQA-KGLIPLIRSA-N 0 3 337.445 2.927 10 5 EFBEHN CCc1ccccc1[C@H](N)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423982388 477244992 /nfs/dbraw/zinc/24/49/92/477244992.db2.gz RNVGVMMTWSAZKQ-MRXNPFEDSA-N 0 3 327.384 2.895 10 5 EFBEHN C[C@@H]1OCC[C@]1(O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000433008843 477296833 /nfs/dbraw/zinc/29/68/33/477296833.db2.gz FEHJIYKAJAEREA-JVPBZIDWSA-N 0 3 342.395 2.814 10 5 EFBEHN COC(=O)COc1ccc(CN2CC3(CCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000433024966 477300120 /nfs/dbraw/zinc/30/01/20/477300120.db2.gz GCQPSVIGNHCUFS-CYBMUJFWSA-N 0 3 348.399 2.911 10 5 EFBEHN O=[N+]([O-])c1ccn(C2CCN(Cc3cc4cccnc4o3)CC2)n1 ZINC000449285341 477525064 /nfs/dbraw/zinc/52/50/64/477525064.db2.gz DOWJVIFUIAVQCI-UHFFFAOYSA-N 0 3 327.344 2.770 10 5 EFBEHN Cc1ccc(CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000449360422 477562079 /nfs/dbraw/zinc/56/20/79/477562079.db2.gz JCYPKNJFGPSGAE-AWEZNQCLSA-N 0 3 346.408 2.564 10 5 EFBEHN CCc1cc(CCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000450573020 477638937 /nfs/dbraw/zinc/63/89/37/477638937.db2.gz VSPBEIUELZMTND-CQSZACIVSA-N 0 3 345.403 2.659 10 5 EFBEHN C[C@H]1CN(Cc2ccccc2)CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000450809670 477724876 /nfs/dbraw/zinc/72/48/76/477724876.db2.gz KYZIMOMWPPBCST-HNNXBMFYSA-N 0 3 326.400 2.948 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000426914249 477759770 /nfs/dbraw/zinc/75/97/70/477759770.db2.gz OHBOCMSILYFTAE-STQMWFEESA-N 0 3 335.404 2.596 10 5 EFBEHN O=[N+]([O-])c1ccc(CNCC2(O)Cc3ccccc3C2)c(Cl)c1 ZINC000372352482 477767143 /nfs/dbraw/zinc/76/71/43/477767143.db2.gz YRXLXNQONBOOHE-UHFFFAOYSA-N 0 3 332.787 2.868 10 5 EFBEHN CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516186289 477903332 /nfs/dbraw/zinc/90/33/32/477903332.db2.gz ZMGMNNUZJBKUQR-IINYFYTJSA-N 0 3 343.811 2.573 10 5 EFBEHN COC(=O)COc1ccc(CN[C@@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000428538944 477923531 /nfs/dbraw/zinc/92/35/31/477923531.db2.gz RNXFQXIUWVHBKX-OAHLLOKOSA-N 0 3 334.372 2.569 10 5 EFBEHN CCOc1cc(CN[C@@H]2CCCC[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000451591056 478112209 /nfs/dbraw/zinc/11/22/09/478112209.db2.gz MVOCSERLXDUIOU-UONOGXRCSA-N 0 3 336.388 2.815 10 5 EFBEHN CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc2c(n1)[C@H](N)CCC2 ZINC000518963777 478200842 /nfs/dbraw/zinc/20/08/42/478200842.db2.gz POWLNYUMGNDNJI-OAHLLOKOSA-N 0 3 330.388 2.963 10 5 EFBEHN O=C(CCN1CCOCC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000451817128 478214233 /nfs/dbraw/zinc/21/42/33/478214233.db2.gz QRJZMHUTLHYKGY-UHFFFAOYSA-N 0 3 347.415 2.959 10 5 EFBEHN COc1cc(C[NH2+]C2CCC(OC(F)F)CC2)c([N+](=O)[O-])cc1[O-] ZINC000590662266 478279485 /nfs/dbraw/zinc/27/94/85/478279485.db2.gz IBGRRXKOHTUJCC-UHFFFAOYSA-N 0 3 346.330 2.949 10 5 EFBEHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1C1CCCCC1 ZINC000600227411 478297158 /nfs/dbraw/zinc/29/71/58/478297158.db2.gz BGWJAWWGTNMEPC-QGZVFWFLSA-N 0 3 331.416 2.661 10 5 EFBEHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594417195 478373977 /nfs/dbraw/zinc/37/39/77/478373977.db2.gz AXOZHQNFEIVFGW-IRXDYDNUSA-N 0 3 342.399 2.823 10 5 EFBEHN O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600471464 478382251 /nfs/dbraw/zinc/38/22/51/478382251.db2.gz SFZQQJDSGTUKGQ-OKZBNKHCSA-N 0 3 343.427 2.831 10 5 EFBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000600473182 478385003 /nfs/dbraw/zinc/38/50/03/478385003.db2.gz SUCYOWPCJKTLSQ-CQSZACIVSA-N 0 3 337.807 2.995 10 5 EFBEHN CO[C@](C)(CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000594508116 478418158 /nfs/dbraw/zinc/41/81/58/478418158.db2.gz AYSRZSGXKLOLPU-INIZCTEOSA-N 0 3 336.413 2.810 10 5 EFBEHN C[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594510065 478418238 /nfs/dbraw/zinc/41/82/38/478418238.db2.gz OEQQMAYMLIKQNR-VWPFQQQWSA-N 0 3 333.432 2.669 10 5 EFBEHN O=C(NC[C@@H]1CCN1C1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600701333 478475245 /nfs/dbraw/zinc/47/52/45/478475245.db2.gz OOYRCOXCZHROKK-ZDUSSCGKSA-N 0 3 336.367 2.872 10 5 EFBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1c1ccsc1 ZINC000600756675 478505796 /nfs/dbraw/zinc/50/57/96/478505796.db2.gz NOAKWMVKNHHMMH-MELADBBJSA-N 0 3 334.397 2.542 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000597857369 478544282 /nfs/dbraw/zinc/54/42/82/478544282.db2.gz FPYUHQOGIMQMHA-LBPRGKRZSA-N 0 3 330.388 2.679 10 5 EFBEHN Cn1cc(N2CCC[C@@H](N[C@H]3CCc4c3cccc4[N+](=O)[O-])C2)cn1 ZINC000563418918 478554881 /nfs/dbraw/zinc/55/48/81/478554881.db2.gz ROWFEWINFZMGEF-DYVFJYSZSA-N 0 3 341.415 2.574 10 5 EFBEHN Cn1nc(C(F)(F)F)cc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000594919313 478583592 /nfs/dbraw/zinc/58/35/92/478583592.db2.gz IABNHKZVILBGSH-UHFFFAOYSA-N 0 3 328.294 2.679 10 5 EFBEHN COc1cc(CNC[C@@H](C)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000594952309 478600606 /nfs/dbraw/zinc/60/06/06/478600606.db2.gz BJTSQLRMIZOUIH-GFCCVEGCSA-N 0 3 331.372 2.900 10 5 EFBEHN O=C(NCCN1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600998008 478605328 /nfs/dbraw/zinc/60/53/28/478605328.db2.gz QRYHVUJVRARZEI-UHFFFAOYSA-N 0 3 331.416 2.619 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H]1CN ZINC000563626779 478605923 /nfs/dbraw/zinc/60/59/23/478605923.db2.gz VRWMRXJKQHWYHL-QGZVFWFLSA-N 0 3 325.368 2.602 10 5 EFBEHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594966394 478609414 /nfs/dbraw/zinc/60/94/14/478609414.db2.gz RGAAKBRPPFGCPK-SGIREYDYSA-N 0 3 342.823 2.904 10 5 EFBEHN CC1(C)[C@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(F)F ZINC000594991858 478620821 /nfs/dbraw/zinc/62/08/21/478620821.db2.gz LNCCPRVQRQHBHE-ZDUSSCGKSA-N 0 3 328.315 2.747 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(CC(N)=O)CCCCC1 ZINC000595001748 478624178 /nfs/dbraw/zinc/62/41/78/478624178.db2.gz XDOJGSKJBAUOCK-UHFFFAOYSA-N 0 3 349.431 2.909 10 5 EFBEHN C[C@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1C ZINC000582585115 478634397 /nfs/dbraw/zinc/63/43/97/478634397.db2.gz CTAITBNREMAQBJ-KBPBESRZSA-N 0 3 349.434 2.894 10 5 EFBEHN C[C@@H](N[C@H]1CCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595053641 478644360 /nfs/dbraw/zinc/64/43/60/478644360.db2.gz HORPGASKNSWZBE-PWSUYJOCSA-N 0 3 331.397 2.862 10 5 EFBEHN Cc1ccc([C@@H](C)NCCN2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000595099980 478658870 /nfs/dbraw/zinc/65/88/70/478658870.db2.gz HPTXILOIEOUWQN-ZBFHGGJFSA-N 0 3 346.431 2.844 10 5 EFBEHN CC(C)N1CCC(N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601103586 478658986 /nfs/dbraw/zinc/65/89/86/478658986.db2.gz YMCNCFDHZGFLHY-UHFFFAOYSA-N 0 3 349.357 2.656 10 5 EFBEHN O=[N+]([O-])c1cnn(CCNCc2ccc(CC(F)(F)F)cc2)c1 ZINC000601111851 478663306 /nfs/dbraw/zinc/66/33/06/478663306.db2.gz YKRLVBNNVHRRIV-UHFFFAOYSA-N 0 3 328.294 2.686 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNCC[C@@H](O)C(F)F)o1 ZINC000601147007 478687721 /nfs/dbraw/zinc/68/77/21/478687721.db2.gz GNIKMEUBMGSVIY-CYBMUJFWSA-N 0 3 326.299 2.961 10 5 EFBEHN COc1ccccc1C[C@@](C)(CO)NCc1ccc([N+](=O)[O-])cc1C ZINC000601152559 478691856 /nfs/dbraw/zinc/69/18/56/478691856.db2.gz FVKZUAJELYPIMR-IBGZPJMESA-N 0 3 344.411 2.995 10 5 EFBEHN Cc1sc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595257593 478704136 /nfs/dbraw/zinc/70/41/36/478704136.db2.gz MDKNAOHMOGBMTC-AWEZNQCLSA-N 0 3 347.396 2.878 10 5 EFBEHN Cc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)ccc1[N+](=O)[O-] ZINC000595258381 478704522 /nfs/dbraw/zinc/70/45/22/478704522.db2.gz UQEZRVYALNGVNV-KRWDZBQOSA-N 0 3 341.367 2.816 10 5 EFBEHN Cc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cccc1[N+](=O)[O-] ZINC000595258667 478705075 /nfs/dbraw/zinc/70/50/75/478705075.db2.gz VSCXLDAWHUWLEH-QGZVFWFLSA-N 0 3 341.367 2.816 10 5 EFBEHN O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000595259212 478706316 /nfs/dbraw/zinc/70/63/16/478706316.db2.gz YXSIXCIQVMFQKC-GFCCVEGCSA-N 0 3 333.369 2.570 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCN1C1CCCC1 ZINC000601203012 478721149 /nfs/dbraw/zinc/72/11/49/478721149.db2.gz LPIQVIHTNOGMRX-JTQLQIEISA-N 0 3 347.341 2.776 10 5 EFBEHN COc1cc(CN[C@H](CC(N)=O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000543491859 478748101 /nfs/dbraw/zinc/74/81/01/478748101.db2.gz BVHPVQJEZZJXCO-CQSZACIVSA-N 0 3 335.404 2.517 10 5 EFBEHN Cc1c([C@H](C)NCCOCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000601294724 478769228 /nfs/dbraw/zinc/76/92/28/478769228.db2.gz PZTQHWFYNKLWIN-ZDUSSCGKSA-N 0 3 338.404 2.912 10 5 EFBEHN C[C@@H]1Cc2ccccc2[C@@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564652222 478778358 /nfs/dbraw/zinc/77/83/58/478778358.db2.gz VOCIWXUFGMNTRD-VVFCZOMOSA-N 0 3 342.395 2.858 10 5 EFBEHN CC(C)[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132742 478790836 /nfs/dbraw/zinc/79/08/36/478790836.db2.gz NNFYRVGJYGQQDU-BQFCYCMXSA-N 0 3 336.432 2.717 10 5 EFBEHN CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]1SC ZINC000592173050 478813811 /nfs/dbraw/zinc/81/38/11/478813811.db2.gz OKFDGBRTHZEDSZ-DFBGVHRSSA-N 0 3 326.418 2.602 10 5 EFBEHN CN(C)C1(CN(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCC1 ZINC000601520034 478862318 /nfs/dbraw/zinc/86/23/18/478862318.db2.gz ZHBISOAFDAUWBC-UHFFFAOYSA-N 0 3 345.443 2.959 10 5 EFBEHN COc1cc(CN(C)[C@@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000595591124 478873299 /nfs/dbraw/zinc/87/32/99/478873299.db2.gz DNWXRIYNPAWVCC-MRXNPFEDSA-N 0 3 330.384 2.639 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000592516980 478926446 /nfs/dbraw/zinc/92/64/46/478926446.db2.gz MNZOQSKAFDDWSZ-GOEBONIOSA-N 0 3 348.399 2.772 10 5 EFBEHN O=C(CN(CCC1CC1)CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595870819 479042291 /nfs/dbraw/zinc/04/22/91/479042291.db2.gz GKIRHVGZSCCBJA-UHFFFAOYSA-N 0 3 343.427 2.996 10 5 EFBEHN COCC1(NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCCC1 ZINC000595909154 479065101 /nfs/dbraw/zinc/06/51/01/479065101.db2.gz NAPVGKSXWRDMGA-UHFFFAOYSA-N 0 3 336.388 2.820 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595965312 479084109 /nfs/dbraw/zinc/08/41/09/479084109.db2.gz CGRYNGJXXDBOET-MRXNPFEDSA-N 0 3 341.367 2.816 10 5 EFBEHN CN1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000592883470 479088243 /nfs/dbraw/zinc/08/82/43/479088243.db2.gz ZUFSVKCSCIKGEO-AEFFLSMTSA-N 0 3 339.395 2.670 10 5 EFBEHN Cc1scc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000601969062 479101602 /nfs/dbraw/zinc/10/16/02/479101602.db2.gz SGOUZBXLYLKNJJ-HNNXBMFYSA-N 0 3 336.413 2.803 10 5 EFBEHN COc1cc(CN[C@@H]2COc3cccc(C)c3C2)c([N+](=O)[O-])cc1O ZINC000598988127 479116747 /nfs/dbraw/zinc/11/67/47/479116747.db2.gz WTHOCDZVNOXJNV-ZDUSSCGKSA-N 0 3 344.367 2.711 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN([C@H](C)CO)C2CCCC2)c1 ZINC000593025396 479130807 /nfs/dbraw/zinc/13/08/07/479130807.db2.gz RYPDPNUFKPURPV-GFCCVEGCSA-N 0 3 336.388 2.507 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CCCC23CCOCC3)c1 ZINC000593030519 479133154 /nfs/dbraw/zinc/13/31/54/479133154.db2.gz XACXOQQLWNVUHN-MRXNPFEDSA-N 0 3 348.399 2.820 10 5 EFBEHN Cc1noc([C@H]2OCC[C@H]2N[C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000599090747 479158235 /nfs/dbraw/zinc/15/82/35/479158235.db2.gz CHROUPLEZNFPCI-XFJVYGCCSA-N 0 3 346.387 2.727 10 5 EFBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CCC2)C1=O ZINC000599094328 479159488 /nfs/dbraw/zinc/15/94/88/479159488.db2.gz UEHDKAPUBRHLLN-CZUORRHYSA-N 0 3 331.416 2.659 10 5 EFBEHN COc1cc(N2CC[C@H]3CC[C@@H](C2)N3C)c(Cl)cc1[N+](=O)[O-] ZINC000596144462 479161843 /nfs/dbraw/zinc/16/18/43/479161843.db2.gz GIBPJRIQTPBTBM-MNOVXSKESA-N 0 3 325.796 2.930 10 5 EFBEHN COC(=O)c1cnc(NC[C@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599125795 479170016 /nfs/dbraw/zinc/17/00/16/479170016.db2.gz BVCWLXKHABALCE-CQSZACIVSA-N 0 3 348.403 2.595 10 5 EFBEHN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593096434 479173180 /nfs/dbraw/zinc/17/31/80/479173180.db2.gz SNKDESFBKWZLHW-CYBMUJFWSA-N 0 3 339.395 2.856 10 5 EFBEHN O=C(CCN1CC[C@@]2(CC2(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000593115249 479183356 /nfs/dbraw/zinc/18/33/56/479183356.db2.gz BMSJHSYOQSONTR-CQSZACIVSA-N 0 3 325.315 2.655 10 5 EFBEHN COc1cc(N2C[C@@H](SC)[C@H](N(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596180534 479184261 /nfs/dbraw/zinc/18/42/61/479184261.db2.gz UXGJHGYMEJVGQR-TZMCWYRMSA-N 0 3 345.852 2.739 10 5 EFBEHN CCOC(=O)c1ccnc(NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599164024 479189941 /nfs/dbraw/zinc/18/99/41/479189941.db2.gz HWMWZZCUWMOVQC-CYBMUJFWSA-N 0 3 348.403 2.595 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCN2C2CCCC2)c1 ZINC000599166492 479190989 /nfs/dbraw/zinc/19/09/89/479190989.db2.gz WNIDZSGPKYKNIU-CQSZACIVSA-N 0 3 333.388 2.810 10 5 EFBEHN Cc1ccc(OC[C@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000556831220 479218143 /nfs/dbraw/zinc/21/81/43/479218143.db2.gz GRXHAXCXGPLKKK-QGZVFWFLSA-N 0 3 344.411 2.817 10 5 EFBEHN COC(=O)c1coc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000569968531 479218508 /nfs/dbraw/zinc/21/85/08/479218508.db2.gz IPVMBHRYRALNAU-UHFFFAOYSA-N 0 3 343.339 2.788 10 5 EFBEHN Cc1cc(N2CCC(N3CCCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000596269665 479232075 /nfs/dbraw/zinc/23/20/75/479232075.db2.gz XHKNFDJSHFYAAZ-UHFFFAOYSA-N 0 3 325.434 2.656 10 5 EFBEHN CCN1CC[C@H]2OCCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000556927601 479239467 /nfs/dbraw/zinc/23/94/67/479239467.db2.gz UNCKODLNLZODPQ-GYVFVFFDSA-N 0 3 345.443 2.793 10 5 EFBEHN O=[N+]([O-])c1ccc(NCc2ccc(CN3CC[C@H](O)C3)cc2)s1 ZINC000596422568 479288729 /nfs/dbraw/zinc/28/87/29/479288729.db2.gz FGWQOKJLWOGFFC-AWEZNQCLSA-N 0 3 333.413 2.835 10 5 EFBEHN O=[N+]([O-])c1ccc(NCc2ccc(CN3CC[C@H](O)C3)cc2)cc1 ZINC000596422581 479288919 /nfs/dbraw/zinc/28/89/19/479288919.db2.gz FRDROQBTTYLXAW-SFHVURJKSA-N 0 3 327.384 2.774 10 5 EFBEHN O=[N+]([O-])c1ccccc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596422884 479289059 /nfs/dbraw/zinc/28/90/59/479289059.db2.gz JDWCHWXSROJZLO-INIZCTEOSA-N 0 3 327.384 2.774 10 5 EFBEHN CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000596453682 479301108 /nfs/dbraw/zinc/30/11/08/479301108.db2.gz JUXCXVBZFHBSDX-ZFWWWQNUSA-N 0 3 334.420 2.700 10 5 EFBEHN CC[C@@H](NC(=O)N(CC)[C@@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596456929 479303128 /nfs/dbraw/zinc/30/31/28/479303128.db2.gz UZOKCRWXMFILQW-HZPDHXFCSA-N 0 3 334.420 2.782 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C(F)F)C1 ZINC000611180309 479305570 /nfs/dbraw/zinc/30/55/70/479305570.db2.gz WQDNPYKLEWLLPG-JTQLQIEISA-N 0 3 343.330 2.519 10 5 EFBEHN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]([C@H]3CCOC3)C1)OCCO2 ZINC000611287563 479338871 /nfs/dbraw/zinc/33/88/71/479338871.db2.gz RTBIFGDWPOXXHD-KBPBESRZSA-N 0 3 348.399 2.615 10 5 EFBEHN O=[N+]([O-])c1ccc2c(c1)nccc2NC1CCN([C@H]2CCOC2)CC1 ZINC000593466722 479354007 /nfs/dbraw/zinc/35/40/07/479354007.db2.gz JRCUXASPTMFWSO-HNNXBMFYSA-N 0 3 342.399 2.808 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599625637 479358083 /nfs/dbraw/zinc/35/80/83/479358083.db2.gz NXLMRLFGKJBKAP-AMDHYVTDSA-N 0 3 341.795 2.588 10 5 EFBEHN C[C@@H](Cc1cccc(O)c1)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611439120 479380462 /nfs/dbraw/zinc/38/04/62/479380462.db2.gz DATJAOLGWMEQQL-LBPRGKRZSA-N 0 3 344.367 2.792 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000599693860 479394721 /nfs/dbraw/zinc/39/47/21/479394721.db2.gz NNFCIWFWJCQEAZ-CQSZACIVSA-N 0 3 348.403 2.742 10 5 EFBEHN CN(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(F)cc1 ZINC000611525556 479405826 /nfs/dbraw/zinc/40/58/26/479405826.db2.gz KKLCMGQCIOHEHO-INIZCTEOSA-N 0 3 348.378 2.523 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCc2c1ccc(=O)n2C ZINC000593693811 479424888 /nfs/dbraw/zinc/42/48/88/479424888.db2.gz FGKQEJCMFBJSQM-MRXNPFEDSA-N 0 3 327.384 2.769 10 5 EFBEHN CCN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599830878 479443900 /nfs/dbraw/zinc/44/39/00/479443900.db2.gz XTQJBELJNHUHQT-UHFFFAOYSA-N 0 3 343.387 2.703 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2C2CCOCC2)c1 ZINC000589509532 479535769 /nfs/dbraw/zinc/53/57/69/479535769.db2.gz XODPCMALHXXPPG-MRXNPFEDSA-N 0 3 348.399 2.772 10 5 EFBEHN CC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594042339 479563175 /nfs/dbraw/zinc/56/31/75/479563175.db2.gz IHFDJACYWKREPC-UKRRQHHQSA-N 0 3 335.404 2.779 10 5 EFBEHN CC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCCO1 ZINC000594043875 479564966 /nfs/dbraw/zinc/56/49/66/479564966.db2.gz PBBPTLWVMOBCJY-JKSUJKDBSA-N 0 3 336.388 2.899 10 5 EFBEHN CN1C[C@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000590053069 479597337 /nfs/dbraw/zinc/59/73/37/479597337.db2.gz WIWMGAYCIPJWOS-RHSMWYFYSA-N 0 3 327.384 2.991 10 5 EFBEHN CN1C[C@@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000590052432 479597606 /nfs/dbraw/zinc/59/76/06/479597606.db2.gz BXPBQPVXVIYPNB-SUMWQHHRSA-N 0 3 327.384 2.991 10 5 EFBEHN CN1C[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000590052425 479597656 /nfs/dbraw/zinc/59/76/56/479597656.db2.gz BXPBQPVXVIYPNB-DYVFJYSZSA-N 0 3 327.384 2.991 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(CO)(CO)C2)s1 ZINC000597218836 479625470 /nfs/dbraw/zinc/62/54/70/479625470.db2.gz LYODSCANIUZNGZ-UHFFFAOYSA-N 0 3 348.424 2.500 10 5 EFBEHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590441273 479647877 /nfs/dbraw/zinc/64/78/77/479647877.db2.gz CZHGDNPBHNXKDA-IUODEOHRSA-N 0 3 349.456 2.871 10 5 EFBEHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000616118958 479830750 /nfs/dbraw/zinc/83/07/50/479830750.db2.gz AAHXAUMLMYTSEI-UHFFFAOYSA-N 0 3 346.391 2.614 10 5 EFBEHN COc1ccc(OCCN2CCC[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000610368697 480291572 /nfs/dbraw/zinc/29/15/72/480291572.db2.gz CUNJIWSMJHWERY-CQSZACIVSA-N 0 3 346.387 2.516 10 5 EFBEHN COc1cc(CNC[C@H](C)c2ccncc2)c([N+](=O)[O-])cc1OC ZINC000610517683 480327877 /nfs/dbraw/zinc/32/78/77/480327877.db2.gz DDAIQSGXSDNXKD-LBPRGKRZSA-N 0 3 331.372 2.900 10 5 EFBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000068223032 519337988 /nfs/dbraw/zinc/33/79/88/519337988.db2.gz MEHUKQUHDWFEOU-GFCCVEGCSA-N 0 3 327.812 2.954 10 5 EFBEHN CN1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180124992 523964233 /nfs/dbraw/zinc/96/42/33/523964233.db2.gz NFXFFHXFAODNOV-APWZRJJASA-N 0 3 339.395 2.699 10 5 EFBEHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000246232097 523992154 /nfs/dbraw/zinc/99/21/54/523992154.db2.gz HZIHBVUPYCMUJN-NHYWBVRUSA-N 0 3 337.807 2.805 10 5 EFBEHN Cc1nccn1C[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000178289812 534781674 /nfs/dbraw/zinc/78/16/74/534781674.db2.gz ZUNPWGVRAODJSQ-INIZCTEOSA-N 0 3 330.388 2.643 10 5 EFBEHN C[C@H](N[C@@H]1CCCN(c2ncccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000192811071 525556302 /nfs/dbraw/zinc/55/63/02/525556302.db2.gz HKVZNLZHQZILQA-DZGCQCFKSA-N 0 3 327.388 2.704 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000183290962 525562494 /nfs/dbraw/zinc/56/24/94/525562494.db2.gz WHZPLKOEFIVSSR-HNNXBMFYSA-N 0 3 333.432 2.588 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245430995 526077733 /nfs/dbraw/zinc/07/77/33/526077733.db2.gz NVFAKEDLWBSHKP-QFBILLFUSA-N 0 3 346.475 2.758 10 5 EFBEHN CSc1cccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000186571317 526087801 /nfs/dbraw/zinc/08/78/01/526087801.db2.gz OLJDTQSLYIEVGM-RYUDHWBXSA-N 0 3 337.445 2.871 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000063812950 526249437 /nfs/dbraw/zinc/24/94/37/526249437.db2.gz XJMBWIAGCMPMFH-HNNXBMFYSA-N 0 3 348.447 2.778 10 5 EFBEHN Cc1nc(C[C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)no1 ZINC000195518293 526920719 /nfs/dbraw/zinc/92/07/19/526920719.db2.gz CXMCMLBEFXEIJV-AWEZNQCLSA-N 0 3 346.387 2.620 10 5 EFBEHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 ZINC000120371772 527407425 /nfs/dbraw/zinc/40/74/25/527407425.db2.gz GBKXITQKZCQMHR-CQSZACIVSA-N 0 3 336.779 2.598 10 5 EFBEHN CC(C)Oc1cc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000412126418 534942732 /nfs/dbraw/zinc/94/27/32/534942732.db2.gz KDYXVDNXYMHEAO-ZFWWWQNUSA-N 0 3 349.431 2.937 10 5 EFBEHN CN1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@@H]2C1 ZINC000425280723 536488765 /nfs/dbraw/zinc/48/87/65/536488765.db2.gz IHDNCWRGYSZISX-GXFFZTMASA-N 0 3 327.331 2.727 10 5 EFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000754255469 575411566 /nfs/dbraw/zinc/41/15/66/575411566.db2.gz CBLRPHNZUKWQSA-MOJYJUKOSA-N 0 3 329.400 2.693 10 5 EFBEHN CC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000754432526 575435738 /nfs/dbraw/zinc/43/57/38/575435738.db2.gz ZGZPKRUHDIWMBD-JKSUJKDBSA-N 0 3 332.404 2.719 10 5 EFBEHN CC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000754432522 575435785 /nfs/dbraw/zinc/43/57/85/575435785.db2.gz ZGZPKRUHDIWMBD-HZPDHXFCSA-N 0 3 332.404 2.719 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000755308789 575572792 /nfs/dbraw/zinc/57/27/92/575572792.db2.gz ASRVQPLMUBNLML-MLFXKNMZSA-N 0 3 329.400 2.551 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2cnn(CN3CCC[C@H]4COCC[C@H]43)c2)cc1 ZINC000756892438 575797425 /nfs/dbraw/zinc/79/74/25/575797425.db2.gz WXJDLKHZERHJRO-MAUKXSAKSA-N 0 3 342.399 2.917 10 5 EFBEHN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)[C@@H]1c1ccccc1 ZINC000758251266 575864881 /nfs/dbraw/zinc/86/48/81/575864881.db2.gz IPOOSSZYAIVCDG-DYVFJYSZSA-N 0 3 339.355 2.988 10 5 EFBEHN O=C1C[C@H]([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1 ZINC000761514927 576173669 /nfs/dbraw/zinc/17/36/69/576173669.db2.gz OGNVJKGWRUKKNO-GXTWGEPZSA-N 0 3 337.807 2.739 10 5 EFBEHN O=C1C[C@H]([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1 ZINC000761514930 576173787 /nfs/dbraw/zinc/17/37/87/576173787.db2.gz OGNVJKGWRUKKNO-JSGCOSHPSA-N 0 3 337.807 2.739 10 5 EFBEHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000765006842 576535572 /nfs/dbraw/zinc/53/55/72/576535572.db2.gz YYXAGZCMNZMRML-MAUKXSAKSA-N 0 3 327.384 2.588 10 5 EFBEHN Cc1nn(CN2CCC[C@@H]3COCC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000765081866 577004807 /nfs/dbraw/zinc/00/48/07/577004807.db2.gz RDPKSMJUAXHQLV-CJNGLKHVSA-N 0 3 330.388 2.711 10 5 EFBEHN CC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000765849311 577082489 /nfs/dbraw/zinc/08/24/89/577082489.db2.gz OCXUJOZZLLJAQM-HOTGVXAUSA-N 0 3 332.404 2.719 10 5 EFBEHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC[S@](=O)CC ZINC000768103469 577254550 /nfs/dbraw/zinc/25/45/50/577254550.db2.gz FPLAPGAPCGCTNW-XUSGNXJCSA-N 0 3 330.475 2.824 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CCC(N[C@H](CO)c3ccsc3)CC2)cc1 ZINC000769984321 577396503 /nfs/dbraw/zinc/39/65/03/577396503.db2.gz GSUSTISVFZIJKJ-QGZVFWFLSA-N 0 3 347.440 2.948 10 5 EFBEHN CCN1CCC[C@H]1CNC(=S)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000774579665 581494599 /nfs/dbraw/zinc/49/45/99/581494599.db2.gz HKYPCINFYQQZEA-OLZOCXBDSA-N 0 3 336.461 2.604 10 5 EFBEHN CN(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@@H]1CCN(C2CC2)C1 ZINC000774627717 581495630 /nfs/dbraw/zinc/49/56/30/581495630.db2.gz STYLZKSPBPYZKV-CYBMUJFWSA-N 0 3 349.822 2.724 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[S@](=O)CC(F)(F)F ZINC000850494258 1250506856 /nfs/dbraw/zinc/50/68/56/1250506856.db2.gz ZVKYCZNCJYALSO-STFLBKPXSA-N 0 3 338.351 2.865 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccncc1Cl ZINC001691486826 1249428771 /nfs/dbraw/zinc/42/87/71/1249428771.db2.gz VXSQACKEQMEIFI-UHFFFAOYSA-N 0 3 348.790 2.505 10 5 EFBEHN Cc1cc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)oc1C ZINC001691292635 1248610789 /nfs/dbraw/zinc/61/07/89/1248610789.db2.gz GVQBSNNCXRPRFU-UHFFFAOYSA-N 0 3 331.372 2.666 10 5 EFBEHN O=[N+]([O-])c1ccccc1/C=C\CNCC[S@](=O)CC(F)(F)F ZINC000850348511 1250443850 /nfs/dbraw/zinc/44/38/50/1250443850.db2.gz NRINBGFDUTWDIV-VYUBKGOISA-N 0 3 336.335 2.509 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3C[C@@H]4COC[C@@H]4O3)o2)c1 ZINC000922725867 1266665702 /nfs/dbraw/zinc/66/57/02/1266665702.db2.gz QAZQPFWYZUJWNH-SKDZVZGDSA-N 0 3 344.367 2.748 10 5 EFBEHN Cc1cc(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)nn1C ZINC000922689929 1266595762 /nfs/dbraw/zinc/59/57/62/1266595762.db2.gz QGOCGYBVOZBNBK-UHFFFAOYSA-N 0 3 340.330 2.570 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[C@@H]4COC[C@@H]4O3)o2)cc1 ZINC000922726434 1266666261 /nfs/dbraw/zinc/66/62/61/1266666261.db2.gz UCJWWSXCWNHYST-SKDZVZGDSA-N 0 3 344.367 2.748 10 5 EFBEHN O=C1O[C@@H](CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000844338534 1278897207 /nfs/dbraw/zinc/89/72/07/1278897207.db2.gz QLUVDNPREBYHNY-PBHICJAKSA-N 0 3 345.399 2.757 10 5 EFBEHN COc1cc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c([N+](=O)[O-])cc1[O-] ZINC000922969992 1276432248 /nfs/dbraw/zinc/43/22/48/1276432248.db2.gz YNOPSKLONHIKQK-CYBMUJFWSA-N 0 3 336.388 2.890 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000923271823 1277442292 /nfs/dbraw/zinc/44/22/92/1277442292.db2.gz WBQXTPMEGNOWRG-HSYXRWIHSA-N 0 3 329.400 2.693 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CC[C@H](C4CC4)N3)n2)c1 ZINC000844915549 1279336505 /nfs/dbraw/zinc/33/65/05/1279336505.db2.gz GGKAUFOIPAXXBC-KGLIPLIRSA-N 0 3 344.371 2.780 10 5 EFBEHN O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CC[C@H](C3CC3)N2)n1 ZINC000844908903 1279358995 /nfs/dbraw/zinc/35/89/95/1279358995.db2.gz JVCYZYJLBKBFLS-OCCSQVGLSA-N 0 3 343.387 2.836 10 5 EFBEHN COCCN1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC000846103626 1280035283 /nfs/dbraw/zinc/03/52/83/1280035283.db2.gz SFCXUSWSOSYRGA-UHFFFAOYSA-N 0 3 341.839 2.791 10 5 EFBEHN C[C@@H](N[C@@H](CCO)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062016 1287416804 /nfs/dbraw/zinc/41/68/04/1287416804.db2.gz JGHMDYGEMDSFTQ-RISCZKNCSA-N 0 3 326.368 2.562 10 5 EFBEHN C[C@@H](N[C@H](CCO)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062014 1287416937 /nfs/dbraw/zinc/41/69/37/1287416937.db2.gz JGHMDYGEMDSFTQ-BXUZGUMPSA-N 0 3 326.368 2.562 10 5 EFBEHN Cn1c(Cl)cnc1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808453096 1281717268 /nfs/dbraw/zinc/71/72/68/1281717268.db2.gz WMWCEZBLXOQARZ-UHFFFAOYSA-N 0 3 333.779 2.795 10 5 EFBEHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000810761698 1283607441 /nfs/dbraw/zinc/60/74/41/1283607441.db2.gz POTDBEORCRJURM-INIZCTEOSA-N 0 3 349.366 2.622 10 5 EFBEHN COc1ccc(CNC[C@H](O)c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000747818782 1285424960 /nfs/dbraw/zinc/42/49/60/1285424960.db2.gz MJWFYYUSCAAEPR-INIZCTEOSA-N 0 3 334.347 2.874 10 5 EFBEHN Cc1nn(CN2CCC[C@H]([C@H]3CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000747831286 1285578430 /nfs/dbraw/zinc/57/84/30/1285578430.db2.gz LVICILGUUVPLQV-GJZGRUSLSA-N 0 3 344.415 2.959 10 5 EFBEHN CC(COC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000813101905 1285651422 /nfs/dbraw/zinc/65/14/22/1285651422.db2.gz LFMNCEAHHNWJQY-CABCVRRESA-N 0 3 334.416 2.538 10 5 EFBEHN CC(COC(=O)COc1ccccc1Cc1ccccc1)[N+](=O)[O-] ZINC000813100114 1285652040 /nfs/dbraw/zinc/65/20/40/1285652040.db2.gz NBXHOBPWUHXPSF-AWEZNQCLSA-N 0 3 329.352 2.865 10 5 EFBEHN CC(COC(=O)C1(c2ccccc2Br)CC1)[N+](=O)[O-] ZINC000813102848 1285654250 /nfs/dbraw/zinc/65/42/50/1285654250.db2.gz KFTZNGHSYGUOMF-SECBINFHSA-N 0 3 328.162 2.689 10 5 EFBEHN CC(COC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)[N+](=O)[O-] ZINC000813105238 1285677095 /nfs/dbraw/zinc/67/70/95/1285677095.db2.gz KXHOSCSBYPVNJP-MIMYLULJSA-N 0 3 333.262 2.897 10 5 EFBEHN CC(COC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)[N+](=O)[O-] ZINC000813106167 1285678330 /nfs/dbraw/zinc/67/83/30/1285678330.db2.gz ZRSMPBCJLQDWJF-VIFPVBQESA-N 0 3 343.261 2.713 10 5 EFBEHN COc1cc(C)c(Br)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106262 1285678416 /nfs/dbraw/zinc/67/84/16/1285678416.db2.gz BQKFXAFIPOMRSG-MRVPVSSYSA-N 0 3 332.150 2.588 10 5 EFBEHN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813108978 1285681684 /nfs/dbraw/zinc/68/16/84/1285681684.db2.gz CXXQXFJCORCCQA-BFHYXJOUSA-N 0 3 348.399 2.761 10 5 EFBEHN CCOc1ccc(C(C)(C)C(=O)OCC(C)[N+](=O)[O-])cc1OCC ZINC000813112493 1285683852 /nfs/dbraw/zinc/68/38/52/1285683852.db2.gz QRMSYNZDDSTLRO-GFCCVEGCSA-N 0 3 339.388 2.970 10 5 EFBEHN CCCOc1c(Cl)cc(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813113672 1285684158 /nfs/dbraw/zinc/68/41/58/1285684158.db2.gz HRTFHZLSLIPRFU-VIFPVBQESA-N 0 3 331.752 2.959 10 5 EFBEHN CC(COC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21)[N+](=O)[O-] ZINC000813111352 1285684388 /nfs/dbraw/zinc/68/43/88/1285684388.db2.gz RONCQGVGJQJOHY-RDTXWAMCSA-N 0 3 340.379 2.999 10 5 EFBEHN CC(COC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1)[N+](=O)[O-] ZINC000813114783 1285685426 /nfs/dbraw/zinc/68/54/26/1285685426.db2.gz WNKRJCSDQXFQBP-DTWKUNHWSA-N 0 3 348.168 2.975 10 5 EFBEHN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115198 1285686580 /nfs/dbraw/zinc/68/65/80/1285686580.db2.gz MPHVIZQEVQUZRZ-VIFPVBQESA-N 0 3 328.390 2.863 10 5 EFBEHN CN1C[C@H]2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC000816952712 1288336990 /nfs/dbraw/zinc/33/69/90/1288336990.db2.gz QKJOPOTYGPERTI-PRHODGIISA-N 0 3 344.198 2.678 10 5 EFBEHN CN1C[C@H]2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@H]2C1 ZINC000816952711 1288337074 /nfs/dbraw/zinc/33/70/74/1288337074.db2.gz QKJOPOTYGPERTI-PELKAZGASA-N 0 3 344.198 2.678 10 5 EFBEHN COc1cc(CN(C)C[C@@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000823604900 1289381580 /nfs/dbraw/zinc/38/15/80/1289381580.db2.gz GDRILFOVGGUHNB-GOSISDBHSA-N 0 3 330.384 2.943 10 5 EFBEHN CN(CCCN(C)C(=O)C1=CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001273501660 1290644311 /nfs/dbraw/zinc/64/43/11/1290644311.db2.gz NABRTMSXEQAHKD-UHFFFAOYSA-N 0 3 331.416 2.985 10 5 EFBEHN C[C@H](N[C@@H]1CCC[C@]12CCCO2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880506244 1292520643 /nfs/dbraw/zinc/52/06/43/1292520643.db2.gz ICBXDJIEKCXSAY-MJEQTWJJSA-N 0 3 333.388 2.613 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C1(C2CC2)CC1 ZINC001274112761 1295463580 /nfs/dbraw/zinc/46/35/80/1295463580.db2.gz OULJKCNTFMVGOE-UPHRSURJSA-N 0 3 329.400 2.547 10 5 EFBEHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)CCC2(O)CCC2)C2CC2)cc1 ZINC000930140943 1297239876 /nfs/dbraw/zinc/23/98/76/1297239876.db2.gz LOQKVRISACBIIW-KRWDZBQOSA-N 0 3 334.416 2.615 10 5 EFBEHN Cc1ccc(OCCN(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776275770 1297342062 /nfs/dbraw/zinc/34/20/62/1297342062.db2.gz KZJQXKORVHYNSK-SFHVURJKSA-N 0 3 330.384 2.947 10 5 EFBEHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000931627306 1297358256 /nfs/dbraw/zinc/35/82/56/1297358256.db2.gz ZMIYUBZZHAYHGL-KOLCDFICSA-N 0 3 326.784 2.771 10 5 EFBEHN Cc1ccccc1[C@@H](O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000796405328 1299329300 /nfs/dbraw/zinc/32/93/00/1299329300.db2.gz FTKVICVQIBIQSE-SFHVURJKSA-N 0 3 344.415 2.545 10 5 EFBEHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000852351704 1299672412 /nfs/dbraw/zinc/67/24/12/1299672412.db2.gz SKVUJEKLYXOLTR-KCPJHIHWSA-N 0 3 342.823 2.904 10 5 EFBEHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590096 1299686981 /nfs/dbraw/zinc/68/69/81/1299686981.db2.gz CDXKCLZDFUJGLJ-FMEYXAORSA-N 0 3 342.395 2.952 10 5 EFBEHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(c3cccnc3)CC2)cc1 ZINC000776599373 1299705646 /nfs/dbraw/zinc/70/56/46/1299705646.db2.gz YJBMBNNHGBCLLK-GOSISDBHSA-N 0 3 327.384 2.903 10 5 EFBEHN COc1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)c(Cl)cc1[N+](=O)[O-] ZINC000853242733 1300063573 /nfs/dbraw/zinc/06/35/73/1300063573.db2.gz WLAVYEXGVRYAPL-GHMZBOCLSA-N 0 3 341.795 2.532 10 5 EFBEHN CCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000854184844 1300464430 /nfs/dbraw/zinc/46/44/30/1300464430.db2.gz JOHNAKUXSAGRFY-NSHDSACASA-N 0 3 326.784 2.806 10 5 EFBEHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000795285763 1300618534 /nfs/dbraw/zinc/61/85/34/1300618534.db2.gz YVCPZYYUKQMTIC-UHFFFAOYSA-N 0 3 348.790 2.978 10 5 EFBEHN CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN(CC)C1 ZINC000855489874 1300978388 /nfs/dbraw/zinc/97/83/88/1300978388.db2.gz CDXRIVOVYZNSBY-GFCCVEGCSA-N 0 3 325.796 2.805 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859824660 1301589832 /nfs/dbraw/zinc/58/98/32/1301589832.db2.gz CMQYCJSIUYHJNB-SPTRTOBYSA-N 0 3 341.795 2.588 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859824662 1301590465 /nfs/dbraw/zinc/59/04/65/1301590465.db2.gz CMQYCJSIUYHJNB-VGAUDOQQSA-N 0 3 341.795 2.588 10 5 EFBEHN CCN(C(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000861892097 1302234760 /nfs/dbraw/zinc/23/47/60/1302234760.db2.gz AXGKPTOYPHYHIG-YPKPFQOOSA-N 0 3 331.416 2.941 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC000865693862 1303368137 /nfs/dbraw/zinc/36/81/37/1303368137.db2.gz RJNKDXXKDBZDAY-OADFYJJDSA-N 0 3 340.326 2.709 10 5 EFBEHN CC([C@H](OC(=O)[C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000870453636 1305329974 /nfs/dbraw/zinc/32/99/74/1305329974.db2.gz BMCMXIJNXHTKDA-NEQUNRTCSA-N 0 3 325.336 2.889 10 5 EFBEHN CC(C)Oc1cc(C(=O)N2CCN(C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000871157472 1305853600 /nfs/dbraw/zinc/85/36/00/1305853600.db2.gz OKVWPYFYJAEPCX-UHFFFAOYSA-N 0 3 349.431 2.938 10 5 EFBEHN CN1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCC1(C)C ZINC000871159298 1305855317 /nfs/dbraw/zinc/85/53/17/1305855317.db2.gz QXAQXJDQRKJLOA-UHFFFAOYSA-N 0 3 345.443 2.959 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC001164190576 1312465167 /nfs/dbraw/zinc/46/51/67/1312465167.db2.gz FOZDYNDZLSCKIY-OAHLLOKOSA-N 0 3 341.367 2.532 10 5 EFBEHN NC(=O)CC1CC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000903261646 1312517457 /nfs/dbraw/zinc/51/74/57/1312517457.db2.gz ZRYMNWDBFTULRO-ZVYVSMAVSA-N 0 3 339.395 2.928 10 5 EFBEHN CC(C)OCC(=O)NC1(CNCc2ccccc2[N+](=O)[O-])CCCC1 ZINC001318625584 1328654976 /nfs/dbraw/zinc/65/49/76/1328654976.db2.gz CONWDBQMGFEJEM-UHFFFAOYSA-N 0 3 349.431 2.538 10 5 EFBEHN CCN(CCCNC(=O)C1CC=CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001265106235 1316722041 /nfs/dbraw/zinc/72/20/41/1316722041.db2.gz IBVVXGPCVAUETK-UHFFFAOYSA-N 0 3 331.416 2.889 10 5 EFBEHN Cc1cc(C)c(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001265875186 1316900063 /nfs/dbraw/zinc/90/00/63/1316900063.db2.gz YYDPLHCBVVZZGW-UHFFFAOYSA-N 0 3 344.415 2.792 10 5 EFBEHN CCN(CCCNC(=O)c1cncs1)Cc1cccc([N+](=O)[O-])c1 ZINC001266025459 1316959129 /nfs/dbraw/zinc/95/91/29/1316959129.db2.gz MBPVCFXPTSGPSA-UHFFFAOYSA-N 0 3 348.428 2.693 10 5 EFBEHN CC(C)CN1CCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001295987707 1322836703 /nfs/dbraw/zinc/83/67/03/1322836703.db2.gz BQGPTASDWNAGNG-AWEZNQCLSA-N 0 3 331.376 2.530 10 5 EFBEHN CC[C@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccco1 ZINC001306840681 1324723678 /nfs/dbraw/zinc/72/36/78/1324723678.db2.gz TZZSTUQBXAYTHV-XHDPSFHLSA-N 0 3 346.387 2.750 10 5 EFBEHN CN(CCCNC(=O)CCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001316821216 1325173435 /nfs/dbraw/zinc/17/34/35/1325173435.db2.gz VBECNFACUJVEFD-UHFFFAOYSA-N 0 3 347.337 2.875 10 5 EFBEHN COC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001346110374 1332600268 /nfs/dbraw/zinc/60/02/68/1332600268.db2.gz PXMFCBATMMNYQJ-IRXDYDNUSA-N 0 3 334.347 2.745 10 5 EFBEHN O=[N+]([O-])c1cc2c(cc1CNC1CC3(CC3(F)F)C1)OCCO2 ZINC001347359516 1332737321 /nfs/dbraw/zinc/73/73/21/1332737321.db2.gz ZVGSRBJRMQSKHC-UHFFFAOYSA-N 0 3 326.299 2.643 10 5 EFBEHN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@@H](C2CCC2)C1 ZINC000848489170 1334745781 /nfs/dbraw/zinc/74/57/81/1334745781.db2.gz QRLUPJNFBMQGMC-SJLPKXTDSA-N 0 3 343.427 2.990 10 5 EFBEHN COCCN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC001459362538 1395825340 /nfs/dbraw/zinc/82/53/40/1395825340.db2.gz MMWZSHJNHKQSPD-UHFFFAOYSA-N 0 3 346.431 2.865 10 5 EFBEHN CCN1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472055705 1397241128 /nfs/dbraw/zinc/24/11/28/1397241128.db2.gz BXYCSKHWINGZCA-INIZCTEOSA-N 0 3 346.431 2.629 10 5 EFBEHN CCN1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472055706 1397241322 /nfs/dbraw/zinc/24/13/22/1397241322.db2.gz BXYCSKHWINGZCA-MRXNPFEDSA-N 0 3 346.431 2.629 10 5 EFBEHN CCN(CCCNC(=O)c1nocc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479857549 1397958845 /nfs/dbraw/zinc/95/88/45/1397958845.db2.gz GIOPUBUUCXDCIU-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN Cc1cccc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001493466741 1398723453 /nfs/dbraw/zinc/72/34/53/1398723453.db2.gz IVLOQYRQVBEUMG-UHFFFAOYSA-N 0 3 327.384 2.765 10 5 EFBEHN O=C(CCC(F)(F)F)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001497553583 1401453357 /nfs/dbraw/zinc/45/33/57/1401453357.db2.gz XUYYTFPVGMNCQF-OWOJBTEDSA-N 0 3 345.321 2.699 10 5 EFBEHN O=C(CCC(F)(F)F)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001497553584 1401453982 /nfs/dbraw/zinc/45/39/82/1401453982.db2.gz XUYYTFPVGMNCQF-UPHRSURJSA-N 0 3 345.321 2.699 10 5 EFBEHN CCCC1(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001566851845 1415799124 /nfs/dbraw/zinc/79/91/24/1415799124.db2.gz BYYRXKIRMYHGRX-GASCZTMLSA-N 0 3 331.416 2.912 10 5 EFBEHN CC(C)(F)C(=O)NC1(CNCc2ccccc2[N+](=O)[O-])CCCC1 ZINC001567992567 1416352845 /nfs/dbraw/zinc/35/28/45/1416352845.db2.gz WCMRJRWUGLYPFB-UHFFFAOYSA-N 0 3 337.395 2.862 10 5 EFBEHN O=C(CCC1CC1)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC001700628955 1417591259 /nfs/dbraw/zinc/59/12/59/1417591259.db2.gz JBQMXYXIFLWARB-MQMHXKEQSA-N 0 3 337.445 2.831 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C1CC1 ZINC001716234772 1418731940 /nfs/dbraw/zinc/73/19/40/1418731940.db2.gz NSWDCOUCLVGZPP-UHFFFAOYSA-N 0 3 333.432 2.969 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC001716549609 1418911925 /nfs/dbraw/zinc/91/19/25/1418911925.db2.gz ZCXFXXUDHGBDDC-UHFFFAOYSA-N 0 3 341.411 2.776 10 5 EFBEHN CC/C=C(\C)C(=O)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC001717636894 1419482447 /nfs/dbraw/zinc/48/24/47/1419482447.db2.gz HJHFHKRIKQQYPJ-HRCCNRFSSA-N 0 3 337.445 2.997 10 5 EFBEHN O=C(CCC1CC1)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001724782442 1425009930 /nfs/dbraw/zinc/00/99/30/1425009930.db2.gz IFMNWDBJWVQCBW-UHFFFAOYSA-N 0 3 331.416 2.914 10 5 EFBEHN C/C(=C\C(=O)N[C@]1(C)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000892781193 719164633 /nfs/dbraw/zinc/16/46/33/719164633.db2.gz WOPVAVJVBQBYES-IYPOZPNPSA-N 0 3 329.400 2.599 10 5 EFBEHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC2(CCNC(=O)O2)CC1 ZINC000897013979 723945026 /nfs/dbraw/zinc/94/50/26/723945026.db2.gz SRVKFVWVDHDUPU-KAMYIIQDSA-N 0 3 345.399 2.963 10 5 EFBEHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC([C@@H]2COC(=O)N2)CC1 ZINC000897021716 723953662 /nfs/dbraw/zinc/95/36/62/723953662.db2.gz ACPVACOPBFGKOT-VEMDQMBVSA-N 0 3 345.399 2.819 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCN1C[C@@H]2CCCCN2C1=O ZINC000895345191 724053941 /nfs/dbraw/zinc/05/39/41/724053941.db2.gz PZYRROQNJVTUTB-HNNXBMFYSA-N 0 3 346.431 2.591 10 5 EFBEHN Cc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000731678704 726916711 /nfs/dbraw/zinc/91/67/11/726916711.db2.gz OENYYYSQOOAJQB-MRXNPFEDSA-N 0 3 331.328 2.635 10 5 EFBEHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1 ZINC000929913008 727644344 /nfs/dbraw/zinc/64/43/44/727644344.db2.gz HKIFZMNYSZWGLZ-UHFFFAOYSA-N 0 3 349.406 2.753 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000912284355 727687969 /nfs/dbraw/zinc/68/79/69/727687969.db2.gz PXFJJRVSPHCXNE-JTQLQIEISA-N 0 3 343.786 2.990 10 5 EFBEHN Cc1cc[nH]c1C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001570102664 1085950346 /nfs/dbraw/zinc/95/03/46/1085950346.db2.gz MCHOAJRKGDUVAN-UHFFFAOYSA-N 0 3 342.399 2.674 10 5 EFBEHN COc1cc(CN2CCN(C)[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001646536846 1087848005 /nfs/dbraw/zinc/84/80/05/1087848005.db2.gz KRHDIVOMLFZOCE-MRXNPFEDSA-N 0 3 339.411 2.905 10 5 EFBEHN O=C([N-]c1c[nH+]ccc1Nc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC001583282181 1091951447 /nfs/dbraw/zinc/95/14/47/1091951447.db2.gz SWSDFGJWXBFHTM-UHFFFAOYSA-N 0 3 335.323 2.803 10 5 EFBEHN Cc1ccc(CC(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001267116528 1092798795 /nfs/dbraw/zinc/79/87/95/1092798795.db2.gz BYCSLUMHSQYKQE-UHFFFAOYSA-N 0 3 347.440 2.755 10 5 EFBEHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001587516531 1092817303 /nfs/dbraw/zinc/81/73/03/1092817303.db2.gz CPMSVGOBUYUGIW-UHFFFAOYSA-N 0 3 328.372 2.799 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1C(C)(C)C1(C)C ZINC001267359131 1094301275 /nfs/dbraw/zinc/30/12/75/1094301275.db2.gz BGJTVEMCJYZQOW-UHFFFAOYSA-N 0 3 333.432 2.825 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)o1 ZINC001268511481 1097100868 /nfs/dbraw/zinc/10/08/68/1097100868.db2.gz KYPYSULYLWUSJH-UPHRSURJSA-N 0 3 349.774 2.917 10 5 EFBEHN CCC(=O)NCc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001267931830 1098725488 /nfs/dbraw/zinc/72/54/88/1098725488.db2.gz GAKKFUYXMCTCBB-UHFFFAOYSA-N 0 3 327.384 2.911 10 5 EFBEHN CN(C)CCCC(C)(C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001612407542 1099055824 /nfs/dbraw/zinc/05/58/24/1099055824.db2.gz ZOLSWGGULOTUMR-UHFFFAOYSA-N 0 3 349.478 2.592 10 5 EFBEHN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c(CN(C)C)c1 ZINC001617673083 1099252077 /nfs/dbraw/zinc/25/20/77/1099252077.db2.gz KITNYLBKKXTWSN-UHFFFAOYSA-N 0 3 328.372 2.799 10 5 EFBEHN CCCN(CCN(C)C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001618546731 1099304084 /nfs/dbraw/zinc/30/40/84/1099304084.db2.gz WXOKQGAPNSKKKQ-UHFFFAOYSA-N 0 3 327.812 2.591 10 5 EFBEHN CN1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC12CCCCC2 ZINC001637067960 1100755494 /nfs/dbraw/zinc/75/54/94/1100755494.db2.gz OCIRAMWTNTZEPC-UHFFFAOYSA-N 0 3 349.406 2.753 10 5 EFBEHN CN(C)Cc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(F)c1 ZINC001639070068 1100910206 /nfs/dbraw/zinc/91/02/06/1100910206.db2.gz FHSCWZHMYIFWBJ-UHFFFAOYSA-N 0 3 332.335 2.630 10 5 EFBEHN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCN1C1CCCC1 ZINC001640412379 1101044791 /nfs/dbraw/zinc/04/47/91/1101044791.db2.gz YOYCZPAUICITDF-LLVKDONJSA-N 0 3 335.433 2.757 10 5 EFBEHN Cc1cc(N2CCN(C)C(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001642877204 1101252947 /nfs/dbraw/zinc/25/29/47/1101252947.db2.gz AMVCMYOOAJTCAZ-UHFFFAOYSA-N 0 3 341.415 2.891 10 5 EFBEHN CN1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C(C)(C)C1 ZINC001653797207 1101651838 /nfs/dbraw/zinc/65/18/38/1101651838.db2.gz YFZVODJSXZUWTB-UHFFFAOYSA-N 0 3 342.237 2.883 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H]1CCCn2nccc21 ZINC001654611120 1101739920 /nfs/dbraw/zinc/73/99/20/1101739920.db2.gz XBANLRFGJVACCR-HNNXBMFYSA-N 0 3 343.387 2.553 10 5 EFBEHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001655220221 1101795430 /nfs/dbraw/zinc/79/54/30/1101795430.db2.gz ANACFDDPVWLHKM-BMIGLBTASA-N 0 3 343.339 2.826 10 5 EFBEHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001655220224 1101796399 /nfs/dbraw/zinc/79/63/99/1101796399.db2.gz ANACFDDPVWLHKM-ZUZCIYMTSA-N 0 3 343.339 2.826 10 5 EFBEHN CN(C(=O)CN1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001656307322 1102031076 /nfs/dbraw/zinc/03/10/76/1102031076.db2.gz RKLWMCPLNMQZKT-BDEJMISXSA-N 0 3 343.427 2.926 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](c2nnc(N)o2)C1 ZINC001659612850 1102554166 /nfs/dbraw/zinc/55/41/66/1102554166.db2.gz RCBGFVWFGYVBLD-NEPJUHHUSA-N 0 3 331.376 2.809 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1CCCn2nccc21 ZINC001659917390 1102578251 /nfs/dbraw/zinc/57/82/51/1102578251.db2.gz DBVONZXAZXPVLG-CQSZACIVSA-N 0 3 343.387 2.553 10 5 EFBEHN CC1(C(=O)NCCCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001660684874 1102926056 /nfs/dbraw/zinc/92/60/56/1102926056.db2.gz CREIBODDJJVGKW-UHFFFAOYSA-N 0 3 331.416 2.866 10 5 EFBEHN Cc1ccc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)s1 ZINC001663793259 1104213873 /nfs/dbraw/zinc/21/38/73/1104213873.db2.gz BHXKXIGLABUNJX-UHFFFAOYSA-N 0 3 333.413 2.827 10 5 EFBEHN CC(C)(C)/C=C\C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001482991452 1105493778 /nfs/dbraw/zinc/49/37/78/1105493778.db2.gz RHWKJTSNOSPKQJ-MQZVTSARSA-N 0 3 331.416 2.959 10 5 EFBEHN Cc1c[nH]cc1C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001673238050 1105988463 /nfs/dbraw/zinc/98/84/63/1105988463.db2.gz KVFSYXWLOHHWKJ-UHFFFAOYSA-N 0 3 342.399 2.674 10 5 EFBEHN CC[C@H]1COC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000699547963 1111547948 /nfs/dbraw/zinc/54/79/48/1111547948.db2.gz SCXDKLLOVYXOIZ-JOYOIKCWSA-N 0 3 329.194 2.872 10 5 EFBEHN Cc1nc2n(n1)CCC[C@H]2N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090224252 282106880 /nfs/dbraw/zinc/10/68/80/282106880.db2.gz MVAKXBFODJFOOC-HZPDHXFCSA-N 0 3 341.415 2.941 10 5 EFBEHN Cc1ccc([C@@H](C)NCCNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000178021435 232061803 /nfs/dbraw/zinc/06/18/03/232061803.db2.gz NUWONUMJPRKEOH-CQSZACIVSA-N 0 3 327.384 2.984 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000183393106 235046862 /nfs/dbraw/zinc/04/68/62/235046862.db2.gz CYVQAPWVOVJUOW-WBVHZDCISA-N 0 3 344.415 2.582 10 5 EFBEHN CC(C)(O)C(C)(C)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000229021199 535273800 /nfs/dbraw/zinc/27/38/00/535273800.db2.gz PDCGVVRUIDFUFS-UHFFFAOYSA-N 0 3 331.210 2.996 10 5 EFBEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037042114 213131252 /nfs/dbraw/zinc/13/12/52/213131252.db2.gz FCHJYVRLKSYGKQ-WRWORJQWSA-N 0 3 330.182 2.669 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](N2CCCC2=O)CC1 ZINC000414547349 244224726 /nfs/dbraw/zinc/22/47/26/244224726.db2.gz IJYAQEKYMBIBBN-INIZCTEOSA-N 0 3 331.416 2.880 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](c3nnc[nH]3)C2)o1 ZINC000425355552 247055861 /nfs/dbraw/zinc/05/58/61/247055861.db2.gz MLFLFPMJFVTAMI-LBPRGKRZSA-N 0 3 339.355 2.962 10 5 EFBEHN O=[N+]([O-])c1cc(CN[C@H](C2CCOCC2)C2(CO)CCC2)cs1 ZINC000425368282 247061038 /nfs/dbraw/zinc/06/10/38/247061038.db2.gz DNJWMAYVQFTOKQ-OAHLLOKOSA-N 0 3 340.445 2.704 10 5 EFBEHN COc1ccc(Cl)cc1C(C)(C)NCCn1cc([N+](=O)[O-])cn1 ZINC000425515272 247116817 /nfs/dbraw/zinc/11/68/17/247116817.db2.gz RZCMQLCWUNJQPN-UHFFFAOYSA-N 0 3 338.795 2.978 10 5 EFBEHN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCN1Cc1ccccc1 ZINC000426104534 247236707 /nfs/dbraw/zinc/23/67/07/247236707.db2.gz YVIOPXLHSQCHHB-GOSISDBHSA-N 0 3 342.399 2.707 10 5 EFBEHN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCN1Cc1ccccc1 ZINC000426104539 247236866 /nfs/dbraw/zinc/23/68/66/247236866.db2.gz YVIOPXLHSQCHHB-SFHVURJKSA-N 0 3 342.399 2.707 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CC2CCC1CC2 ZINC000433080675 248012805 /nfs/dbraw/zinc/01/28/05/248012805.db2.gz DGKCWMXECWBRDU-QOZQQMKHSA-N 0 3 333.388 2.710 10 5 EFBEHN CCOC(=O)CC1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000434622393 248171418 /nfs/dbraw/zinc/17/14/18/248171418.db2.gz DIUMYMQKGUECIK-UHFFFAOYSA-N 0 3 346.387 2.827 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCC[C@@H]3O)cs2)c1 ZINC000266136187 248121827 /nfs/dbraw/zinc/12/18/27/248121827.db2.gz FTSXEHJQXKVNPT-DOMZBBRYSA-N 0 3 333.413 2.969 10 5 EFBEHN CC1(C)CCCN(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000444605745 250315901 /nfs/dbraw/zinc/31/59/01/250315901.db2.gz DDXRXJMUHSQKAT-UHFFFAOYSA-N 0 3 344.415 2.928 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(CF)CCOCC1 ZINC000449483637 251040467 /nfs/dbraw/zinc/04/04/67/251040467.db2.gz BOUIFGLTUZCUSP-UHFFFAOYSA-N 0 3 326.368 2.849 10 5 EFBEHN COc1cc(CNCCc2ncccc2C)c([N+](=O)[O-])cc1OC ZINC000449487987 251043391 /nfs/dbraw/zinc/04/33/91/251043391.db2.gz BMNJBIQYCKFDKO-UHFFFAOYSA-N 0 3 331.372 2.648 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1C ZINC000267440412 251059747 /nfs/dbraw/zinc/05/97/47/251059747.db2.gz YROUQKYSNGCHLO-QWRGUYRKSA-N 0 3 325.796 2.803 10 5 EFBEHN C[C@H]1OCC[C@H]1N(CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449676596 251113576 /nfs/dbraw/zinc/11/35/76/251113576.db2.gz IJLPYZUWBSHBMR-CXAGYDPISA-N 0 3 346.383 2.827 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCc4ccccc43)CC2)nc1 ZINC000097055645 218936987 /nfs/dbraw/zinc/93/69/87/218936987.db2.gz IFPCLSHZMRNVBJ-MRXNPFEDSA-N 0 3 338.411 2.842 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117756455 221086901 /nfs/dbraw/zinc/08/69/01/221086901.db2.gz GMILBGGMRMHLGW-GFCCVEGCSA-N 0 3 339.823 2.781 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119212583 221267054 /nfs/dbraw/zinc/26/70/54/221267054.db2.gz PWOPUFVANDRFCS-OAHLLOKOSA-N 0 3 344.415 2.561 10 5 EFBEHN Cn1ccnc1CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000105876547 141356688 /nfs/dbraw/zinc/35/66/88/141356688.db2.gz CWIGNSCVVZRKST-UHFFFAOYSA-N 0 3 344.415 2.662 10 5 EFBEHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccsc1 ZINC000349381686 142326719 /nfs/dbraw/zinc/32/67/19/142326719.db2.gz QLSKCZKOGPVAPK-XHDPSFHLSA-N 0 3 349.412 2.697 10 5 EFBEHN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CC=CCC1 ZINC000344063903 145359253 /nfs/dbraw/zinc/35/92/53/145359253.db2.gz OFZFRDCOTCVWEC-AWEZNQCLSA-N 0 3 329.400 2.772 10 5 EFBEHN Cc1nn(-c2ccncc2)cc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000344096634 145367216 /nfs/dbraw/zinc/36/72/16/145367216.db2.gz CBBJBZNVUZJKRQ-UHFFFAOYSA-N 0 3 337.383 2.816 10 5 EFBEHN CC(C)(C)[C@H]1CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348423514 145945362 /nfs/dbraw/zinc/94/53/62/145945362.db2.gz VGKMVTWUZFECCE-GJZGRUSLSA-N 0 3 340.445 2.783 10 5 EFBEHN COc1c(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000355803171 147068967 /nfs/dbraw/zinc/06/89/67/147068967.db2.gz RCHBTDOIOHZVDK-STQMWFEESA-N 0 3 335.404 2.596 10 5 EFBEHN COc1c(C(=O)N2CCCC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000355821910 147074801 /nfs/dbraw/zinc/07/48/01/147074801.db2.gz AQQRIHCWPLAACW-CQSZACIVSA-N 0 3 347.415 2.694 10 5 EFBEHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1C ZINC000356396944 147234116 /nfs/dbraw/zinc/23/41/16/147234116.db2.gz VJVMIQXGPKLAGC-ZDUSSCGKSA-N 0 3 337.445 2.921 10 5 EFBEHN CC[C@H]1C[C@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000357003004 147396165 /nfs/dbraw/zinc/39/61/65/147396165.db2.gz ZFWJILFUNJLWIH-QAPCUYQASA-N 0 3 333.432 2.922 10 5 EFBEHN COc1cc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000359635967 148146592 /nfs/dbraw/zinc/14/65/92/148146592.db2.gz OQSQAIBBBBMHGW-CHWSQXEVSA-N 0 3 349.431 2.905 10 5 EFBEHN COc1cc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000359635966 148146984 /nfs/dbraw/zinc/14/69/84/148146984.db2.gz OQSQAIBBBBMHGW-BETUJISGSA-N 0 3 349.431 2.905 10 5 EFBEHN O=C(CCN1CCC(c2c[nH]cn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000374200160 151300036 /nfs/dbraw/zinc/30/00/36/151300036.db2.gz OTPULNAYWJJZRG-UHFFFAOYSA-N 0 3 343.387 2.526 10 5 EFBEHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@]3(CCOC3)C2)c(Cl)c1 ZINC000374633321 151385737 /nfs/dbraw/zinc/38/57/37/151385737.db2.gz VIUHONRATIRLKQ-SWLSCSKDSA-N 0 3 326.780 2.676 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000158423748 225012924 /nfs/dbraw/zinc/01/29/24/225012924.db2.gz CRFATLYMZVHSDA-JQWIXIFHSA-N 0 3 325.796 2.803 10 5 EFBEHN CCC[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000122881704 222176398 /nfs/dbraw/zinc/17/63/98/222176398.db2.gz BYTKYKOICQZWBO-KRWDZBQOSA-N 0 3 349.431 2.695 10 5 EFBEHN CCC[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000122881925 222176561 /nfs/dbraw/zinc/17/65/61/222176561.db2.gz BYTKYKOICQZWBO-QGZVFWFLSA-N 0 3 349.431 2.695 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000123968111 222359530 /nfs/dbraw/zinc/35/95/30/222359530.db2.gz ODIJUXGRFMDPIS-YPMHNXCESA-N 0 3 339.823 2.732 10 5 EFBEHN O=[N+]([O-])c1ccc(CCN2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171641879 227192071 /nfs/dbraw/zinc/19/20/71/227192071.db2.gz KJLGQDLYGNEXPC-INIZCTEOSA-N 0 3 326.400 2.966 10 5 EFBEHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H](O)C(F)(F)F ZINC000271173824 265906858 /nfs/dbraw/zinc/90/68/58/265906858.db2.gz UTQHFZUKEADJRC-SKDRFNHKSA-N 0 3 338.351 2.978 10 5 EFBEHN CC(C)(C)[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000272264367 266208530 /nfs/dbraw/zinc/20/85/30/266208530.db2.gz AEAJPDIALMRUGZ-CZUORRHYSA-N 0 3 349.431 2.652 10 5 EFBEHN CC[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272778246 266379883 /nfs/dbraw/zinc/37/98/83/266379883.db2.gz RCILCKIAMKEGMD-SUMWQHHRSA-N 0 3 346.431 2.996 10 5 EFBEHN Cc1cc(N2CCC[C@@H](NCc3ccc(C)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000277781567 267262016 /nfs/dbraw/zinc/26/20/16/267262016.db2.gz VGYVUELOROMOBV-MRXNPFEDSA-N 0 3 343.431 2.704 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000277988741 267315678 /nfs/dbraw/zinc/31/56/78/267315678.db2.gz NARCOAAHMMKYMW-GFCCVEGCSA-N 0 3 339.823 2.970 10 5 EFBEHN COC[C@H](O)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181039079 273043844 /nfs/dbraw/zinc/04/38/44/273043844.db2.gz RKLDRSKVUVNGJT-MSOLQXFVSA-N 0 3 330.384 2.671 10 5 EFBEHN CCN1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000194319350 273068398 /nfs/dbraw/zinc/06/83/98/273068398.db2.gz YYIRAUZEWNAUET-JTQLQIEISA-N 0 3 326.784 2.854 10 5 EFBEHN O=C1C[C@]2(CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)CN1 ZINC000279384511 273209481 /nfs/dbraw/zinc/20/94/81/273209481.db2.gz JNDZWGGZKZNDRC-GOSISDBHSA-N 0 3 341.367 2.567 10 5 EFBEHN O=C1C[C@@]2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CN1 ZINC000279523614 273224292 /nfs/dbraw/zinc/22/42/92/273224292.db2.gz YOBVOHGSRNUJKD-SFHVURJKSA-N 0 3 341.367 2.567 10 5 EFBEHN CCO[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCC2 ZINC000282497377 273571419 /nfs/dbraw/zinc/57/14/19/273571419.db2.gz XXLWNNIJVXWYSP-HUUCEWRRSA-N 0 3 330.388 2.908 10 5 EFBEHN COc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284033823 273788653 /nfs/dbraw/zinc/78/86/53/273788653.db2.gz JLWUKNBIHUUPQP-ZBEGNZNMSA-N 0 3 331.372 2.570 10 5 EFBEHN O=[N+]([O-])c1ccccc1C[C@H](NCc1nnc2ccccn21)C1CC1 ZINC000183824977 275040015 /nfs/dbraw/zinc/04/00/15/275040015.db2.gz GOSGYFWJBZVVPU-HNNXBMFYSA-N 0 3 337.383 2.748 10 5 EFBEHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451588114 277084798 /nfs/dbraw/zinc/08/47/98/277084798.db2.gz DKGZJWIMGPUIOB-YPMHNXCESA-N 0 3 340.351 2.564 10 5 EFBEHN COc1cnccc1N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432162764 278076552 /nfs/dbraw/zinc/07/65/52/278076552.db2.gz LTJMDMPDJDRBNA-UHFFFAOYSA-N 0 3 348.790 2.978 10 5 EFBEHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CCOCC2)[C@H]1C ZINC000375240016 278157094 /nfs/dbraw/zinc/15/70/94/278157094.db2.gz HFSNIROPFXUPCR-ZIAGYGMSSA-N 0 3 347.415 2.813 10 5 EFBEHN COc1ccc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000291207275 294310286 /nfs/dbraw/zinc/31/02/86/294310286.db2.gz GSKHENSANLVGHG-MRXNPFEDSA-N 0 3 339.367 2.754 10 5 EFBEHN COCC1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000291763994 294476637 /nfs/dbraw/zinc/47/66/37/294476637.db2.gz RXSTZBIRCAKMBL-UHFFFAOYSA-N 0 3 328.796 2.781 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000295765428 295372940 /nfs/dbraw/zinc/37/29/40/295372940.db2.gz WHWKDFHVCVSMAZ-AYYGCFCKSA-N 0 3 343.427 2.941 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC3(CCC(O)CC3)CC2)c1 ZINC000295776231 295374358 /nfs/dbraw/zinc/37/43/58/295374358.db2.gz TUXYWLIPWQSMLP-QGZVFWFLSA-N 0 3 334.416 2.645 10 5 EFBEHN Cc1ccc(OC[C@@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180415011 310799297 /nfs/dbraw/zinc/79/92/97/310799297.db2.gz ORCUYEBEJQHFHU-PBHICJAKSA-N 0 3 330.384 2.994 10 5 EFBEHN Cc1ccc(N2CCCC[C@H](N3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000301805098 311159290 /nfs/dbraw/zinc/15/92/90/311159290.db2.gz DWCDCTKFMMCBOD-INIZCTEOSA-N 0 3 332.448 2.510 10 5 EFBEHN Cc1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000301815886 311160327 /nfs/dbraw/zinc/16/03/27/311160327.db2.gz IWYVAPNPKLWKIF-MRXNPFEDSA-N 0 3 333.432 2.984 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000301879335 311164272 /nfs/dbraw/zinc/16/42/72/311164272.db2.gz ZICPVOQPDQJBAE-QGZVFWFLSA-N 0 3 333.432 2.984 10 5 EFBEHN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)N(C)Cc1ccccc1 ZINC000302005955 311171714 /nfs/dbraw/zinc/17/17/14/311171714.db2.gz TWVYDOOWWVPZBB-ZDUSSCGKSA-N 0 3 340.387 2.570 10 5 EFBEHN O=[N+]([O-])c1cc(Br)ccc1N1CCN2CCC1CC2 ZINC000302761476 311199864 /nfs/dbraw/zinc/19/98/64/311199864.db2.gz KJVRZEWUXLZKPL-UHFFFAOYSA-N 0 3 326.194 2.642 10 5 EFBEHN CNCc1ccccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000415909843 312180608 /nfs/dbraw/zinc/18/06/08/312180608.db2.gz GSAOQKVCQNDQRT-UHFFFAOYSA-N 0 3 340.383 2.904 10 5 EFBEHN CC1(C)C[C@@H](N[C@@H]2CNCCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000423489721 312423905 /nfs/dbraw/zinc/42/39/05/312423905.db2.gz WXWFJFCULHRDMH-ZIAGYGMSSA-N 0 3 325.359 2.904 10 5 EFBEHN Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000493253044 314292594 /nfs/dbraw/zinc/29/25/94/314292594.db2.gz JGDWRGKDYAHDEK-XJKSGUPXSA-N 0 3 346.431 2.842 10 5 EFBEHN CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516186291 315661007 /nfs/dbraw/zinc/66/10/07/315661007.db2.gz ZMGMNNUZJBKUQR-YGRLFVJLSA-N 0 3 343.811 2.573 10 5 EFBEHN CN(C)Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000531629428 317293564 /nfs/dbraw/zinc/29/35/64/317293564.db2.gz KXYPKMFEADUMPZ-UHFFFAOYSA-N 0 3 325.328 2.768 10 5 EFBEHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531633421 317293851 /nfs/dbraw/zinc/29/38/51/317293851.db2.gz VTXAVBBRDBRNMP-QGZVFWFLSA-N 0 3 342.399 2.803 10 5 EFBEHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccsc1 ZINC000531898156 317329555 /nfs/dbraw/zinc/32/95/55/317329555.db2.gz XMIZSJSOYDGPDD-HNNXBMFYSA-N 0 3 348.428 2.864 10 5 EFBEHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532138472 317361004 /nfs/dbraw/zinc/36/10/04/317361004.db2.gz NJKBCMBUKIIGKU-UHFFFAOYSA-N 0 3 342.399 2.502 10 5 EFBEHN CCC(C)(C)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000564854120 318900625 /nfs/dbraw/zinc/90/06/25/318900625.db2.gz MDXZXYXTSSJVFT-KRWDZBQOSA-N 0 3 346.431 2.630 10 5 EFBEHN Cc1c(C(=O)N2CCc3ccccc3[C@H]2CN)cccc1[N+](=O)[O-] ZINC000567926797 319226940 /nfs/dbraw/zinc/22/69/40/319226940.db2.gz PAJGDDDVOGCDRL-QGZVFWFLSA-N 0 3 325.368 2.602 10 5 EFBEHN NC[C@H]1c2ccccc2CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000568866200 319325505 /nfs/dbraw/zinc/32/55/05/319325505.db2.gz KABSBGHEZMCLDG-KRWDZBQOSA-N 0 3 327.384 2.532 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000576905744 320059239 /nfs/dbraw/zinc/05/92/39/320059239.db2.gz RKXLZGUKAOQVBH-NSHDSACASA-N 0 3 325.796 2.628 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(C)C1 ZINC000576905743 320059266 /nfs/dbraw/zinc/05/92/66/320059266.db2.gz RKXLZGUKAOQVBH-LLVKDONJSA-N 0 3 325.796 2.628 10 5 EFBEHN O=C(NCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000581618347 324423031 /nfs/dbraw/zinc/42/30/31/324423031.db2.gz ZAADVRPUEAEUHQ-CYBMUJFWSA-N 0 3 331.397 2.663 10 5 EFBEHN CC(C)N1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000161387189 473231987 /nfs/dbraw/zinc/23/19/87/473231987.db2.gz RZWFGHKSOVXXJF-HZMBPMFUSA-N 0 3 325.796 2.707 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000124514472 473254315 /nfs/dbraw/zinc/25/43/15/473254315.db2.gz CHCQVIIJJAZKRD-GHMZBOCLSA-N 0 3 325.796 2.803 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000176968224 473277205 /nfs/dbraw/zinc/27/72/05/473277205.db2.gz LDAWKEVCATZGNC-OAHLLOKOSA-N 0 3 346.431 2.725 10 5 EFBEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190483614 473290708 /nfs/dbraw/zinc/29/07/08/473290708.db2.gz XXNPJIDVIBFOFB-GOSISDBHSA-N 0 3 340.427 2.944 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000083026653 473312700 /nfs/dbraw/zinc/31/27/00/473312700.db2.gz CEMZIWNTPFONHM-GJZGRUSLSA-N 0 3 349.431 2.522 10 5 EFBEHN C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000162237562 473320107 /nfs/dbraw/zinc/32/01/07/473320107.db2.gz OIZZYBLSENKOLB-MWLCHTKSSA-N 0 3 329.194 2.872 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000124971887 473334675 /nfs/dbraw/zinc/33/46/75/473334675.db2.gz UHBFIUKSCOYPPN-MRXNPFEDSA-N 0 3 341.411 2.806 10 5 EFBEHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000006603053 471553898 /nfs/dbraw/zinc/55/38/98/471553898.db2.gz XFEQPLYOXMIRKI-LRDDRELGSA-N 0 3 334.347 2.824 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CN2CCOCC2)CC1 ZINC000067457273 472037171 /nfs/dbraw/zinc/03/71/71/472037171.db2.gz KNWIFSPYPOSFGU-HNNXBMFYSA-N 0 3 333.432 2.700 10 5 EFBEHN CCN1CCC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000040713427 472039920 /nfs/dbraw/zinc/03/99/20/472039920.db2.gz LOZAQRUWZAEYGJ-JTQLQIEISA-N 0 3 329.198 2.649 10 5 EFBEHN CCN(CC)C(=O)[C@@H]1CCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000067652916 472066361 /nfs/dbraw/zinc/06/63/61/472066361.db2.gz JBAGWCBCGWLYOI-KRWDZBQOSA-N 0 3 349.431 2.697 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000068223025 472151845 /nfs/dbraw/zinc/15/18/45/472151845.db2.gz MEHUKQUHDWFEOU-LBPRGKRZSA-N 0 3 327.812 2.954 10 5 EFBEHN COC(=O)/C=C/c1ccc(N[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000652 472276946 /nfs/dbraw/zinc/27/69/46/472276946.db2.gz UAEVDVCYEVAFIA-HZRUHFOJSA-N 0 3 333.388 2.676 10 5 EFBEHN Cc1ccc([C@@H]2C[C@H](C)CCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000076120796 472278797 /nfs/dbraw/zinc/27/87/97/472278797.db2.gz AZSBLVYDBJHZPL-KCXAZCMYSA-N 0 3 348.403 2.527 10 5 EFBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056347442 472309529 /nfs/dbraw/zinc/30/95/29/472309529.db2.gz MSXITPGEWMPXFC-MRXNPFEDSA-N 0 3 342.399 2.889 10 5 EFBEHN Cc1sc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000045124266 472374296 /nfs/dbraw/zinc/37/42/96/472374296.db2.gz UQTXHBFVBXKONM-CQSZACIVSA-N 0 3 347.440 2.867 10 5 EFBEHN Cc1sc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000032448650 472437285 /nfs/dbraw/zinc/43/72/85/472437285.db2.gz NKKURZWGFMGYSH-CYBMUJFWSA-N 0 3 333.413 2.997 10 5 EFBEHN Cc1sc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000032448651 472437586 /nfs/dbraw/zinc/43/75/86/472437586.db2.gz NKKURZWGFMGYSH-ZDUSSCGKSA-N 0 3 333.413 2.997 10 5 EFBEHN C[C@@H]1[C@@H](NCc2ccc([N+](=O)[O-])cc2)CC(=O)N1Cc1ccccc1 ZINC000089513422 472453316 /nfs/dbraw/zinc/45/33/16/472453316.db2.gz JFNCTUZXSPBRRR-KDOFPFPSSA-N 0 3 339.395 2.874 10 5 EFBEHN Cc1nccn1-c1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538529 472631876 /nfs/dbraw/zinc/63/18/76/472631876.db2.gz LHOXKWSZZUSKSR-CYBMUJFWSA-N 0 3 340.387 2.636 10 5 EFBEHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000130977581 472641007 /nfs/dbraw/zinc/64/10/07/472641007.db2.gz SFUAAWYRSNURDU-JTQLQIEISA-N 0 3 339.193 2.905 10 5 EFBEHN CN(c1ccc(F)cc1[N+](=O)[O-])C1CCN(CCn2cccn2)CC1 ZINC000105791869 472775237 /nfs/dbraw/zinc/77/52/37/472775237.db2.gz HJBKZLBXGZLTMX-UHFFFAOYSA-N 0 3 347.394 2.531 10 5 EFBEHN CCN1CCC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000120977407 472776890 /nfs/dbraw/zinc/77/68/90/472776890.db2.gz SWRSRRSHBUJKEI-HNNXBMFYSA-N 0 3 346.431 2.753 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CCC(Cn3cccn3)CC2)c1 ZINC000105887082 472797474 /nfs/dbraw/zinc/79/74/74/472797474.db2.gz NUEFZRAQVRTSMD-UHFFFAOYSA-N 0 3 330.388 2.582 10 5 EFBEHN CCN(CC)C(=O)[C@H]1CCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000065297037 472923455 /nfs/dbraw/zinc/92/34/55/472923455.db2.gz JBAGWCBCGWLYOI-QGZVFWFLSA-N 0 3 349.431 2.697 10 5 EFBEHN CCC[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CCN1CCOC ZINC000121894650 472938944 /nfs/dbraw/zinc/93/89/44/472938944.db2.gz VXVAPDLUVPANBY-AWEZNQCLSA-N 0 3 327.450 2.589 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000107316786 472941851 /nfs/dbraw/zinc/94/18/51/472941851.db2.gz MZQCCVFWFIFHNF-HUUCEWRRSA-N 0 3 333.432 2.841 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080012930 472961041 /nfs/dbraw/zinc/96/10/41/472961041.db2.gz BITFXYOAUFUVQO-HIFRSBDPSA-N 0 3 336.436 2.931 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065867581 473021114 /nfs/dbraw/zinc/02/11/14/473021114.db2.gz NUGHSCDBFLZFDZ-AWEZNQCLSA-N 0 3 344.415 2.540 10 5 EFBEHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000136890763 473182949 /nfs/dbraw/zinc/18/29/49/473182949.db2.gz SCIMCURMUISLJS-BLLLJJGKSA-N 0 3 344.367 2.750 10 5 EFBEHN Cc1c([C@@H](C)N[C@H]2CCCN(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000166554773 473528655 /nfs/dbraw/zinc/52/86/55/473528655.db2.gz BCEGUYWDFFCAIZ-CABCVRRESA-N 0 3 343.431 2.956 10 5 EFBEHN COC[C@@H](C)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000170603115 473561976 /nfs/dbraw/zinc/56/19/76/473561976.db2.gz NFUZWLBWNBYSKM-AWEZNQCLSA-N 0 3 344.415 2.548 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])CCN1C ZINC000127663683 473638571 /nfs/dbraw/zinc/63/85/71/473638571.db2.gz HEQRWHOJUWUJIL-QWHCGFSZSA-N 0 3 337.445 2.628 10 5 EFBEHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000127982605 473669782 /nfs/dbraw/zinc/66/97/82/473669782.db2.gz SGTPINWMNKJXDM-INIZCTEOSA-N 0 3 330.388 2.606 10 5 EFBEHN CSc1ccc(C(=O)NCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000192471644 473683475 /nfs/dbraw/zinc/68/34/75/473683475.db2.gz PCHBQALYBJZECB-LBPRGKRZSA-N 0 3 337.445 2.921 10 5 EFBEHN C[C@@H](N[C@@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192810236 473730000 /nfs/dbraw/zinc/73/00/00/473730000.db2.gz YBOIYMWIXVPBHL-UKRRQHHQSA-N 0 3 327.388 2.704 10 5 EFBEHN CN1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180169385 473816664 /nfs/dbraw/zinc/81/66/64/473816664.db2.gz GMGGGULPMSXVNC-MJGOQNOKSA-N 0 3 339.395 2.699 10 5 EFBEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246351117 473837491 /nfs/dbraw/zinc/83/74/91/473837491.db2.gz WBLDEQAKNZKCRJ-DLBZAZTESA-N 0 3 344.415 2.816 10 5 EFBEHN CCc1nccn1[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246363756 473840589 /nfs/dbraw/zinc/84/05/89/473840589.db2.gz XQQGMZHNAXQTKC-DLBZAZTESA-N 0 3 344.415 2.724 10 5 EFBEHN CN(C)C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000263939870 473912244 /nfs/dbraw/zinc/91/22/44/473912244.db2.gz PPAGCAVUJOUYBW-NSHDSACASA-N 0 3 326.784 2.806 10 5 EFBEHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)N(C)C)cc1 ZINC000195066850 474000161 /nfs/dbraw/zinc/00/01/61/474000161.db2.gz ZLDWUMCTEYPACZ-QGZVFWFLSA-N 0 3 342.399 2.639 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000195108496 474007230 /nfs/dbraw/zinc/00/72/30/474007230.db2.gz RNBUYCDACTUSQD-UHFFFAOYSA-N 0 3 342.399 2.502 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000246981054 474025183 /nfs/dbraw/zinc/02/51/83/474025183.db2.gz GIDBOTILOIMKEC-IAQYHMDHSA-N 0 3 332.404 2.620 10 5 EFBEHN CCN1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247106062 474065628 /nfs/dbraw/zinc/06/56/28/474065628.db2.gz QUHVYDULXAFACE-UKRRQHHQSA-N 0 3 334.420 2.748 10 5 EFBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000247206755 474087328 /nfs/dbraw/zinc/08/73/28/474087328.db2.gz LUEOEPHBISKJQC-JQWIXIFHSA-N 0 3 338.795 2.949 10 5 EFBEHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000188476921 474105358 /nfs/dbraw/zinc/10/53/58/474105358.db2.gz DXGKHGFNFKPMAR-HNNXBMFYSA-N 0 3 328.796 2.779 10 5 EFBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000247289055 474110198 /nfs/dbraw/zinc/11/01/98/474110198.db2.gz KSSNUYPTNQRDDY-BLLLJJGKSA-N 0 3 346.431 2.628 10 5 EFBEHN Cc1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1[N+](=O)[O-] ZINC000282604065 474127485 /nfs/dbraw/zinc/12/74/85/474127485.db2.gz DDLQIIXUWTYILI-DOTOQJQBSA-N 0 3 334.416 2.561 10 5 EFBEHN O=[N+]([O-])c1ccc(NC[C@@H](O)CN2CCCCC2)cc1C(F)(F)F ZINC000175013458 474131237 /nfs/dbraw/zinc/13/12/37/474131237.db2.gz VAGZRMLQWFLTMR-GFCCVEGCSA-N 0 3 347.337 2.872 10 5 EFBEHN CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000222140562 474164492 /nfs/dbraw/zinc/16/44/92/474164492.db2.gz HMZRGKHIUYOPBT-XXAQJILISA-N 0 3 340.445 2.773 10 5 EFBEHN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000222140502 474164611 /nfs/dbraw/zinc/16/46/11/474164611.db2.gz HMZRGKHIUYOPBT-CSTKLKAISA-N 0 3 340.445 2.773 10 5 EFBEHN COc1cccc(N2C[C@@H](SC)[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000275390826 474168486 /nfs/dbraw/zinc/16/84/86/474168486.db2.gz CJKXADUMXSUDBO-UKRRQHHQSA-N 0 3 337.445 2.619 10 5 EFBEHN CC[C@H](NC(=O)NCC1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000275398096 474171988 /nfs/dbraw/zinc/17/19/88/474171988.db2.gz DLSMTMHRFZCKLQ-HNNXBMFYSA-N 0 3 334.420 2.829 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175333171 474191547 /nfs/dbraw/zinc/19/15/47/474191547.db2.gz DNLBREBFNOURBA-OAHLLOKOSA-N 0 3 345.403 2.561 10 5 EFBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000175436670 474219922 /nfs/dbraw/zinc/21/99/22/474219922.db2.gz GTZBFYKVRRLKSY-CHWSQXEVSA-N 0 3 337.807 2.947 10 5 EFBEHN CN1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000247982165 474239496 /nfs/dbraw/zinc/23/94/96/474239496.db2.gz HSOQJKBVQAUOHL-PKOBYXMFSA-N 0 3 339.395 2.699 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN(c2cccnn2)CC1 ZINC000182748898 474246851 /nfs/dbraw/zinc/24/68/51/474246851.db2.gz KFWRKHBSKSLSJK-OAHLLOKOSA-N 0 3 341.415 2.967 10 5 EFBEHN CC[C@@H](NC(=O)NCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000175649021 474274554 /nfs/dbraw/zinc/27/45/54/474274554.db2.gz PKTUPTQWRJSKRD-MRXNPFEDSA-N 0 3 334.420 2.831 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000275745325 474304183 /nfs/dbraw/zinc/30/41/83/474304183.db2.gz COQNXZXVYVYWCS-DGCLKSJQSA-N 0 3 339.823 2.969 10 5 EFBEHN COc1cc(CN[C@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000183216875 474352009 /nfs/dbraw/zinc/35/20/09/474352009.db2.gz GHTAURKRZXZRRI-SKDRFNHKSA-N 0 3 346.330 2.862 10 5 EFBEHN C[C@@H]1C[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289651801 474362636 /nfs/dbraw/zinc/36/26/36/474362636.db2.gz YJIYKRYMMTUYCH-HQJQHLMTSA-N 0 3 332.141 2.697 10 5 EFBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000289659415 474365373 /nfs/dbraw/zinc/36/53/73/474365373.db2.gz UGHFKTJXCMFBNU-QGZVFWFLSA-N 0 3 337.395 2.766 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000248598165 474371653 /nfs/dbraw/zinc/37/16/53/474371653.db2.gz INBGFUDPARHABL-TXPKVOOTSA-N 0 3 347.459 2.977 10 5 EFBEHN Cc1nccn1-c1ccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000183678272 474411197 /nfs/dbraw/zinc/41/11/97/474411197.db2.gz LEUJRELDBMIAHW-CYBMUJFWSA-N 0 3 340.387 2.636 10 5 EFBEHN COc1ccc(CC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176223228 474413695 /nfs/dbraw/zinc/41/36/95/474413695.db2.gz RTGMWKBARUPTHO-UHFFFAOYSA-N 0 3 344.415 2.755 10 5 EFBEHN COCCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189710856 474468638 /nfs/dbraw/zinc/46/86/38/474468638.db2.gz PLUTTWVITDCIRE-HNNXBMFYSA-N 0 3 349.431 2.559 10 5 EFBEHN NC(=O)N[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000271390924 474523855 /nfs/dbraw/zinc/52/38/55/474523855.db2.gz TYAXQLCBMLLEMY-LBPRGKRZSA-N 0 3 346.412 2.566 10 5 EFBEHN C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](C)C1 ZINC000249723438 474606201 /nfs/dbraw/zinc/60/62/01/474606201.db2.gz DTALBEBTDQRBBH-QWHCGFSZSA-N 0 3 344.415 2.926 10 5 EFBEHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000249918575 474625283 /nfs/dbraw/zinc/62/52/83/474625283.db2.gz YCISQWRTCRLQON-STQMWFEESA-N 0 3 344.415 2.926 10 5 EFBEHN CN(C)CCN1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291625320 474634297 /nfs/dbraw/zinc/63/42/97/474634297.db2.gz KWSOPJJTNONYCE-UHFFFAOYSA-N 0 3 343.431 2.581 10 5 EFBEHN CO[C@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1C ZINC000251940397 474652805 /nfs/dbraw/zinc/65/28/05/474652805.db2.gz UPZSDNMONMSYFL-LRDDRELGSA-N 0 3 335.404 2.589 10 5 EFBEHN CS[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000291787271 474686146 /nfs/dbraw/zinc/68/61/46/474686146.db2.gz CWYGASVNYKTNPF-LSDHHAIUSA-N 0 3 332.429 2.625 10 5 EFBEHN CCc1ccc(NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000252511602 474688576 /nfs/dbraw/zinc/68/85/76/474688576.db2.gz IONWCFWAQFLRBK-IUODEOHRSA-N 0 3 334.420 2.961 10 5 EFBEHN C[C@H]1CN(CCCCNc2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000267978730 474733646 /nfs/dbraw/zinc/73/36/46/474733646.db2.gz XHDASHZJRADCGZ-RYUDHWBXSA-N 0 3 342.827 2.945 10 5 EFBEHN CN(C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000344416359 474734543 /nfs/dbraw/zinc/73/45/43/474734543.db2.gz IQIQVYJOYAUKIQ-UHFFFAOYSA-N 0 3 330.388 2.585 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000344576611 474766246 /nfs/dbraw/zinc/76/62/46/474766246.db2.gz MZJZWPGUGKNXOO-ZDUSSCGKSA-N 0 3 332.404 2.782 10 5 EFBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000341056096 474923181 /nfs/dbraw/zinc/92/31/81/474923181.db2.gz IHCRABVGFXFBIT-HUUCEWRRSA-N 0 3 348.447 2.776 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000341069237 474939087 /nfs/dbraw/zinc/93/90/87/474939087.db2.gz OKAVDUXSGSPUAS-STQMWFEESA-N 0 3 335.404 2.596 10 5 EFBEHN CNC(=O)c1ccc(NCCN2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000341126229 475001910 /nfs/dbraw/zinc/00/19/10/475001910.db2.gz NNKSBCGJYMOQMU-STQMWFEESA-N 0 3 334.420 2.629 10 5 EFBEHN CC(C)N1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268479377 475005258 /nfs/dbraw/zinc/00/52/58/475005258.db2.gz KLKNEGHTWDKTLW-SNVBAGLBSA-N 0 3 329.198 2.647 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]1CN1CCOCC1 ZINC000347354073 475259136 /nfs/dbraw/zinc/25/91/36/475259136.db2.gz GECHJGJEGCRUBI-UIRWJGRMSA-N 0 3 345.443 2.795 10 5 EFBEHN CCO[C@@H]1C[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000339596442 475330164 /nfs/dbraw/zinc/33/01/64/475330164.db2.gz UEGWQNYQIJFWNQ-UAGQMJEPSA-N 0 3 330.388 2.608 10 5 EFBEHN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2C)[C@H]1n1cccn1 ZINC000339598964 475336206 /nfs/dbraw/zinc/33/62/06/475336206.db2.gz RLYYKJLKIAEEHS-GVDBMIGSSA-N 0 3 330.388 2.608 10 5 EFBEHN CCO[C@@H]1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000339600732 475338029 /nfs/dbraw/zinc/33/80/29/475338029.db2.gz YZKVPPDEPJSXHZ-QPZHOTKFSA-N 0 3 342.399 2.813 10 5 EFBEHN CNC(=O)CCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352556203 475409802 /nfs/dbraw/zinc/40/98/02/475409802.db2.gz WQBXBNICVBIKLQ-GOSISDBHSA-N 0 3 327.384 2.800 10 5 EFBEHN NC(=O)CC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000354930833 475530892 /nfs/dbraw/zinc/53/08/92/475530892.db2.gz ZGTUNDNKUZWOCB-UHFFFAOYSA-N 0 3 329.356 2.743 10 5 EFBEHN O=[N+]([O-])c1cc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000355207486 475744107 /nfs/dbraw/zinc/74/41/07/475744107.db2.gz OCUFMGPFEZZYKO-ZIAGYGMSSA-N 0 3 348.399 2.710 10 5 EFBEHN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355281496 475797277 /nfs/dbraw/zinc/79/72/77/475797277.db2.gz WOSSPCDGIVFVHI-SFHVURJKSA-N 0 3 339.395 2.941 10 5 EFBEHN C[C@]12CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000298221697 476025033 /nfs/dbraw/zinc/02/50/33/476025033.db2.gz GDGPAVDGLYIWKR-HIFRSBDPSA-N 0 3 339.342 2.901 10 5 EFBEHN CCO[C@@H]1C[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000340530497 476088434 /nfs/dbraw/zinc/08/84/34/476088434.db2.gz DHFSZSIUPDQLFC-ZFVVBOAOSA-N 0 3 330.388 2.861 10 5 EFBEHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H]1n1cccn1 ZINC000340538931 476094173 /nfs/dbraw/zinc/09/41/73/476094173.db2.gz HDQXMGNJTWMGOV-ZFVVBOAOSA-N 0 3 330.388 2.861 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(NCCCCN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000359099893 476188231 /nfs/dbraw/zinc/18/82/31/476188231.db2.gz OXXUMOYAQMEJID-HUUCEWRRSA-N 0 3 336.436 2.908 10 5 EFBEHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cccs1 ZINC000357219236 476294359 /nfs/dbraw/zinc/29/43/59/476294359.db2.gz JOZVDXKZOPMZTQ-XHDPSFHLSA-N 0 3 348.428 2.797 10 5 EFBEHN CSc1cccc(C(=O)NCCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000362840346 476435122 /nfs/dbraw/zinc/43/51/22/476435122.db2.gz KJVWIUCVDPNFSZ-GFCCVEGCSA-N 0 3 337.445 2.921 10 5 EFBEHN CN1CCC(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000362845242 476437778 /nfs/dbraw/zinc/43/77/78/476437778.db2.gz YFDZHIQTKQKFSH-QGZVFWFLSA-N 0 3 349.456 2.901 10 5 EFBEHN C[C@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000361003115 476536324 /nfs/dbraw/zinc/53/63/24/476536324.db2.gz RQKHRWZWBXQOJV-HOCLYGCPSA-N 0 3 326.400 2.877 10 5 EFBEHN CCN1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000354424304 476654381 /nfs/dbraw/zinc/65/43/81/476654381.db2.gz IYDKRBNVRNMNTP-ZYHUDNBSSA-N 0 3 325.434 2.910 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000354501895 476690406 /nfs/dbraw/zinc/69/04/06/476690406.db2.gz PHHLKWCECAEJNU-HNNXBMFYSA-N 0 3 331.416 2.829 10 5 EFBEHN CC1(C)C[C@H](N[C@H]2CNCCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000423489718 477046863 /nfs/dbraw/zinc/04/68/63/477046863.db2.gz WXWFJFCULHRDMH-KBPBESRZSA-N 0 3 325.359 2.904 10 5 EFBEHN CCOc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000375900182 477070966 /nfs/dbraw/zinc/07/09/66/477070966.db2.gz GNOWFGATXHFLRI-DZGCQCFKSA-N 0 3 347.415 2.692 10 5 EFBEHN O=C([C@@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1)N1CCCCC1 ZINC000376001987 477127002 /nfs/dbraw/zinc/12/70/02/477127002.db2.gz AIRDSQAWXHTWLK-ZBFHGGJFSA-N 0 3 331.416 2.866 10 5 EFBEHN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000411462153 477243834 /nfs/dbraw/zinc/24/38/34/477243834.db2.gz XLAZPPQCDBKXOS-QGZVFWFLSA-N 0 3 343.383 2.901 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424043953 477271994 /nfs/dbraw/zinc/27/19/94/477271994.db2.gz ZWLAWNWXQZBLLW-DOTOQJQBSA-N 0 3 343.358 2.609 10 5 EFBEHN CN(c1ncc([N+](=O)[O-])cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000413193268 477563971 /nfs/dbraw/zinc/56/39/71/477563971.db2.gz HDHOPOZHWHZGCN-CQSZACIVSA-N 0 3 330.363 2.840 10 5 EFBEHN CN(C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(F)c1 ZINC000427980780 477798742 /nfs/dbraw/zinc/79/87/42/477798742.db2.gz CPZSWYXYVSDIOH-INIZCTEOSA-N 0 3 343.362 2.747 10 5 EFBEHN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H](c3ccco3)N3CCCC3)nc2c1 ZINC000427981154 477798828 /nfs/dbraw/zinc/79/88/28/477798828.db2.gz NPXZFQPUOLFEPW-HNNXBMFYSA-N 0 3 341.371 2.735 10 5 EFBEHN CCN1CCCC[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558576592 477889458 /nfs/dbraw/zinc/88/94/58/477889458.db2.gz JMLAJXQKWKRZMY-QGZVFWFLSA-N 0 3 344.415 2.609 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000439093743 477927972 /nfs/dbraw/zinc/92/79/72/477927972.db2.gz AISRYXDEYQGUOI-ZDUSSCGKSA-N 0 3 337.807 2.865 10 5 EFBEHN COc1cc(C[NH2+]C[C@@H]2CC23CCSCC3)c([N+](=O)[O-])cc1[O-] ZINC000421352560 478047374 /nfs/dbraw/zinc/04/73/74/478047374.db2.gz OKYHWXHYTJNKEH-LBPRGKRZSA-N 0 3 338.429 2.932 10 5 EFBEHN COc1ccc([C@H](CO)CNCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000459722944 478057635 /nfs/dbraw/zinc/05/76/35/478057635.db2.gz AGRHFEFAAPPTJB-INIZCTEOSA-N 0 3 330.384 2.778 10 5 EFBEHN CNC(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000421377730 478064473 /nfs/dbraw/zinc/06/44/73/478064473.db2.gz HZWPYLQWSQCVMT-LBPRGKRZSA-N 0 3 345.424 2.891 10 5 EFBEHN Cc1cc(F)ccc1CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488051621 478111842 /nfs/dbraw/zinc/11/18/42/478111842.db2.gz MDVBGLIVZKJQSE-MRXNPFEDSA-N 0 3 348.374 2.914 10 5 EFBEHN CC(C)(C)OC(=O)[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495062348 478114565 /nfs/dbraw/zinc/11/45/65/478114565.db2.gz FFVWSJSZNNYCKS-ZDUSSCGKSA-N 0 3 336.388 2.637 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C3CCC3)C[C@@H](C)C2)c1 ZINC000488753603 478180615 /nfs/dbraw/zinc/18/06/15/478180615.db2.gz RQFMXFFOJAWTBL-CYBMUJFWSA-N 0 3 347.415 2.692 10 5 EFBEHN CC1(N2CCOCC2)CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000600201318 478278899 /nfs/dbraw/zinc/27/88/99/478278899.db2.gz HIAKMJNJNWVTSV-GQCTYLIASA-N 0 3 345.443 2.795 10 5 EFBEHN CC1(N2CCOCC2)CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000600201319 478279353 /nfs/dbraw/zinc/27/93/53/478279353.db2.gz HIAKMJNJNWVTSV-XQRVVYSFSA-N 0 3 345.443 2.795 10 5 EFBEHN CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1(C)CCCC1 ZINC000489874473 478282634 /nfs/dbraw/zinc/28/26/34/478282634.db2.gz LVIGIXHVSFFMJJ-UHFFFAOYSA-N 0 3 335.360 2.527 10 5 EFBEHN COC(=O)COc1ccc(CN2CCCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000600214553 478290248 /nfs/dbraw/zinc/29/02/48/478290248.db2.gz ATEKJPDRFWZJFY-UHFFFAOYSA-N 0 3 348.399 2.913 10 5 EFBEHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600227358 478297524 /nfs/dbraw/zinc/29/75/24/478297524.db2.gz AUOADJMWVZUFAP-HNNXBMFYSA-N 0 3 335.379 2.871 10 5 EFBEHN C[C@H](C(=O)NC[C@@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600472485 478382319 /nfs/dbraw/zinc/38/23/19/478382319.db2.gz ZNYSRDLASZDAAT-GUYCJALGSA-N 0 3 331.416 2.831 10 5 EFBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000600473126 478383695 /nfs/dbraw/zinc/38/36/95/478383695.db2.gz QZYWHYCOYNNXSN-ZDUSSCGKSA-N 0 3 342.399 2.823 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594596551 478455118 /nfs/dbraw/zinc/45/51/18/478455118.db2.gz AOCVVFYDKBPKJJ-UKRRQHHQSA-N 0 3 333.388 2.810 10 5 EFBEHN O=C(NC[C@H]1CCN1C1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600701328 478475187 /nfs/dbraw/zinc/47/51/87/478475187.db2.gz OOYRCOXCZHROKK-CYBMUJFWSA-N 0 3 336.367 2.872 10 5 EFBEHN CN1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000597717106 478476888 /nfs/dbraw/zinc/47/68/88/478476888.db2.gz ZAERLVJEJBVLMW-GOSISDBHSA-N 0 3 342.399 2.634 10 5 EFBEHN CN1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000597717107 478478161 /nfs/dbraw/zinc/47/81/61/478478161.db2.gz ZAERLVJEJBVLMW-SFHVURJKSA-N 0 3 342.399 2.634 10 5 EFBEHN C[C@@H]1NCCO[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600794920 478525479 /nfs/dbraw/zinc/52/54/79/478525479.db2.gz UVKJUSYFOVTNFY-ORAYPTAESA-N 0 3 342.395 2.846 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597856860 478542071 /nfs/dbraw/zinc/54/20/71/478542071.db2.gz BNBBYVIZPRNYQG-ZDUSSCGKSA-N 0 3 339.823 2.780 10 5 EFBEHN C[C@@H](C(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597856847 478542932 /nfs/dbraw/zinc/54/29/32/478542932.db2.gz BFUINLXGWMESLG-YPMHNXCESA-N 0 3 337.395 2.826 10 5 EFBEHN CSc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597858741 478543680 /nfs/dbraw/zinc/54/36/80/478543680.db2.gz OQYGAIQDUOHZHD-GFCCVEGCSA-N 0 3 337.445 2.919 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000597858160 478544882 /nfs/dbraw/zinc/54/48/82/478544882.db2.gz KWHMUMQAOOEIJM-CQSZACIVSA-N 0 3 346.431 2.772 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597859695 478546783 /nfs/dbraw/zinc/54/67/83/478546783.db2.gz FUAQATMSUDXXGV-HRCADAONSA-N 0 3 331.416 2.687 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000597860204 478546963 /nfs/dbraw/zinc/54/69/63/478546963.db2.gz LVJUCRPAYPOROL-ZDUSSCGKSA-N 0 3 333.432 2.861 10 5 EFBEHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594939932 478594975 /nfs/dbraw/zinc/59/49/75/478594975.db2.gz VVMNQLCQKVGRMV-AQUOVQTQSA-N 0 3 346.305 2.901 10 5 EFBEHN CO[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCOC1 ZINC000594948917 478600938 /nfs/dbraw/zinc/60/09/38/478600938.db2.gz BMNZGRASWNZKAB-KDOFPFPSSA-N 0 3 346.383 2.996 10 5 EFBEHN CC1CCN(CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000600997429 478605291 /nfs/dbraw/zinc/60/52/91/478605291.db2.gz AQBOJBRPHNVPDG-UHFFFAOYSA-N 0 3 345.443 2.865 10 5 EFBEHN O=[N+]([O-])c1cc(CNCc2ccc(CN3CC[C@H](O)C3)cc2)cs1 ZINC000594973586 478613620 /nfs/dbraw/zinc/61/36/20/478613620.db2.gz GOTZGLMQPCLHHQ-INIZCTEOSA-N 0 3 347.440 2.513 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000594974477 478614236 /nfs/dbraw/zinc/61/42/36/478614236.db2.gz MEFIPASHMTTZAY-SIRQDLBWSA-N 0 3 338.429 2.553 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC(O)(C2CC2)C2CC2)c1 ZINC000594983465 478616822 /nfs/dbraw/zinc/61/68/22/478616822.db2.gz MREDGBZUOIROOJ-UHFFFAOYSA-N 0 3 342.342 2.837 10 5 EFBEHN CC1(C)[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(F)F ZINC000594991857 478620519 /nfs/dbraw/zinc/62/05/19/478620519.db2.gz LNCCPRVQRQHBHE-CYBMUJFWSA-N 0 3 328.315 2.747 10 5 EFBEHN CC(C)N1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601034843 478624688 /nfs/dbraw/zinc/62/46/88/478624688.db2.gz MVQCZMLGLJIYEE-UHFFFAOYSA-N 0 3 345.443 2.959 10 5 EFBEHN CCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598039866 478626814 /nfs/dbraw/zinc/62/68/14/478626814.db2.gz AWASTIAUHXGOJW-OAHLLOKOSA-N 0 3 349.431 2.615 10 5 EFBEHN CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598041816 478628631 /nfs/dbraw/zinc/62/86/31/478628631.db2.gz NJNKKFCSIUOBBV-HNNXBMFYSA-N 0 3 346.431 2.725 10 5 EFBEHN CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC)C1 ZINC000598041266 478628785 /nfs/dbraw/zinc/62/87/85/478628785.db2.gz KTJVRNDXODSVNE-AWEZNQCLSA-N 0 3 337.445 2.630 10 5 EFBEHN CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCN(CC)C1 ZINC000598044162 478630979 /nfs/dbraw/zinc/63/09/79/478630979.db2.gz YVIREOPUTDZZGE-CYBMUJFWSA-N 0 3 330.388 2.632 10 5 EFBEHN C[C@@H](NCCN1C[C@@H]2CCCCN2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000595108012 478662446 /nfs/dbraw/zinc/66/24/46/478662446.db2.gz YSEBVDKDDOVIFA-CJNGLKHVSA-N 0 3 332.404 2.536 10 5 EFBEHN C[C@H](NCCN1C[C@H]2CCCCN2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000595108014 478663849 /nfs/dbraw/zinc/66/38/49/478663849.db2.gz YSEBVDKDDOVIFA-XJKSGUPXSA-N 0 3 332.404 2.536 10 5 EFBEHN CCN1CC[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H](C)C1 ZINC000601119820 478667903 /nfs/dbraw/zinc/66/79/03/478667903.db2.gz WSLJQEFEVXAIJK-VHSXEESVSA-N 0 3 349.357 2.514 10 5 EFBEHN COc1ccccc1C[C@](C)(CO)NCc1ccc([N+](=O)[O-])cc1C ZINC000601152561 478691537 /nfs/dbraw/zinc/69/15/37/478691537.db2.gz FVKZUAJELYPIMR-LJQANCHMSA-N 0 3 344.411 2.995 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCN1CCCC1(C)C ZINC000601173109 478706056 /nfs/dbraw/zinc/70/60/56/478706056.db2.gz QYQGCRPKTXIFRH-UHFFFAOYSA-N 0 3 335.330 2.633 10 5 EFBEHN O=[N+]([O-])c1cc2c(nc1NC1CCN([C@H]3CCOC3)CC1)CCCC2 ZINC000591923436 478709227 /nfs/dbraw/zinc/70/92/27/478709227.db2.gz CKBHVVHQGOIMLL-HNNXBMFYSA-N 0 3 346.431 2.534 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000601190462 478714788 /nfs/dbraw/zinc/71/47/88/478714788.db2.gz ZGLSPESHTJSUOD-NXEZZACHSA-N 0 3 347.341 2.776 10 5 EFBEHN C[C@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN1C ZINC000601233231 478739345 /nfs/dbraw/zinc/73/93/45/478739345.db2.gz ZTGLTOWXSOGZMY-DZGCQCFKSA-N 0 3 331.416 2.615 10 5 EFBEHN CC(C)[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CO)CC=CC1 ZINC000592178017 478814215 /nfs/dbraw/zinc/81/42/15/478814215.db2.gz UOPRWAPADNLNSA-KRWDZBQOSA-N 0 3 344.415 2.914 10 5 EFBEHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1Cl)[C@]1(O)CCOC1 ZINC000592374400 478871782 /nfs/dbraw/zinc/87/17/82/478871782.db2.gz FBNAEXVWAXGRLV-HNNXBMFYSA-N 0 3 328.796 2.515 10 5 EFBEHN CC[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 ZINC000598535926 478884878 /nfs/dbraw/zinc/88/48/78/478884878.db2.gz LOCWLYMCWHLAME-RWMBFGLXSA-N 0 3 337.445 2.674 10 5 EFBEHN CCOc1cc(CN[C@H](COC)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000595615859 478889705 /nfs/dbraw/zinc/88/97/05/478889705.db2.gz NTWJOVVTFCASDM-OAHLLOKOSA-N 0 3 338.404 2.525 10 5 EFBEHN Cc1cc(C(=O)Nc2cnn(C3CCN(C)CC3)c2)cc([N+](=O)[O-])c1 ZINC000601768411 478993027 /nfs/dbraw/zinc/99/30/27/478993027.db2.gz BIPNMRHGMJAITO-UHFFFAOYSA-N 0 3 343.387 2.619 10 5 EFBEHN CN1C[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592883190 479088627 /nfs/dbraw/zinc/08/86/27/479088627.db2.gz YUKBGXFBMPPIEC-CABCVRRESA-N 0 3 345.424 2.732 10 5 EFBEHN COc1cc(N2CCc3nccc(N)c3C2)c(Cl)cc1[N+](=O)[O-] ZINC000598944173 479094731 /nfs/dbraw/zinc/09/47/31/479094731.db2.gz YEOMOPWASIJYFA-UHFFFAOYSA-N 0 3 334.763 2.797 10 5 EFBEHN Cc1scc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000601969512 479102028 /nfs/dbraw/zinc/10/20/28/479102028.db2.gz UCBGMUZJQJANEE-AWEZNQCLSA-N 0 3 336.413 2.803 10 5 EFBEHN O=[N+]([O-])c1ccc(CNCC2(OCCO)CCC(F)(F)CC2)cc1 ZINC000598993762 479117366 /nfs/dbraw/zinc/11/73/66/479117366.db2.gz MVBTWHNDNQGWNC-UHFFFAOYSA-N 0 3 344.358 2.641 10 5 EFBEHN CCc1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000592998350 479119207 /nfs/dbraw/zinc/11/92/07/479119207.db2.gz RHZDEUQQYDTALX-MRXNPFEDSA-N 0 3 330.384 2.687 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1c2ccccc2C(=O)N1C ZINC000599000056 479120515 /nfs/dbraw/zinc/12/05/15/479120515.db2.gz RVJRSLLKPFNDDW-QGZVFWFLSA-N 0 3 325.368 2.820 10 5 EFBEHN COc1cc(CNC[C@H]2CCN2C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000598999125 479120934 /nfs/dbraw/zinc/12/09/34/479120934.db2.gz JRENTJVVRBTMEG-OAHLLOKOSA-N 0 3 349.431 2.719 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C(C)C)C2CCOCC2)c1 ZINC000593018067 479126993 /nfs/dbraw/zinc/12/69/93/479126993.db2.gz JWBWTDSEJVDASA-UHFFFAOYSA-N 0 3 336.388 2.771 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000593030031 479132909 /nfs/dbraw/zinc/13/29/09/479132909.db2.gz HVERUNFCONXGAQ-UAGQMJEPSA-N 0 3 348.399 2.507 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000593029593 479133729 /nfs/dbraw/zinc/13/37/29/479133729.db2.gz CRAXJOTUGCXTNM-NUEKZKHPSA-N 0 3 348.399 2.675 10 5 EFBEHN COCCN1CCC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599040573 479135029 /nfs/dbraw/zinc/13/50/29/479135029.db2.gz KEKZSSQNKSJIRD-CQSZACIVSA-N 0 3 330.388 2.666 10 5 EFBEHN CN1CCC[C@@H]1CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000593036268 479136176 /nfs/dbraw/zinc/13/61/76/479136176.db2.gz WUKYLFMJULGIMG-KZNAEPCWSA-N 0 3 347.459 2.795 10 5 EFBEHN O=[N+]([O-])c1c(NC2CCN([C@H]3CCOC3)CC2)ccc2cnccc21 ZINC000599060025 479143310 /nfs/dbraw/zinc/14/33/10/479143310.db2.gz LKBHQUPLMCSFOH-HNNXBMFYSA-N 0 3 342.399 2.808 10 5 EFBEHN CN1CCOC[C@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599082675 479154109 /nfs/dbraw/zinc/15/41/09/479154109.db2.gz XWZNJBRQKXJTHN-RTBURBONSA-N 0 3 341.411 2.604 10 5 EFBEHN CC[C@@H](N[C@@H]1CCO[C@@H]1c1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000599094167 479159019 /nfs/dbraw/zinc/15/90/19/479159019.db2.gz YZEWKWOBRKSKIM-KFWWJZLASA-N 0 3 332.360 2.857 10 5 EFBEHN Cc1noc([C@@H]2OCC[C@@H]2N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000599093569 479159642 /nfs/dbraw/zinc/15/96/42/479159642.db2.gz RWSOVRXPQCHNMM-OWCLPIDISA-N 0 3 344.371 2.783 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(Cn2cnnc2)CC1 ZINC000593078116 479160319 /nfs/dbraw/zinc/16/03/19/479160319.db2.gz UQVWOEGZPGLQLX-AWEZNQCLSA-N 0 3 329.404 2.968 10 5 EFBEHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCCN(c2ncccn2)C1 ZINC000584540205 479171840 /nfs/dbraw/zinc/17/18/40/479171840.db2.gz QQKATCQRIZQPQV-CJNGLKHVSA-N 0 3 339.399 2.631 10 5 EFBEHN CN1CCC(N(C(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000610774434 479183481 /nfs/dbraw/zinc/18/34/81/479183481.db2.gz NTRKYQZSIQJZQL-UHFFFAOYSA-N 0 3 340.383 2.731 10 5 EFBEHN COc1ccc(OCCN2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117114 479185556 /nfs/dbraw/zinc/18/55/56/479185556.db2.gz OWBOMIIIASCHFV-CQSZACIVSA-N 0 3 328.315 2.713 10 5 EFBEHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCN3C3CCCC3)cc2N1 ZINC000599165256 479189893 /nfs/dbraw/zinc/18/98/93/479189893.db2.gz PEJWIAGOTWXYPX-CQSZACIVSA-N 0 3 344.415 2.908 10 5 EFBEHN CCOc1cccc(N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596267969 479232776 /nfs/dbraw/zinc/23/27/76/479232776.db2.gz DSTIFCGUMVSNDF-UHFFFAOYSA-N 0 3 349.431 2.685 10 5 EFBEHN COC(=O)c1cc(NC[C@@H]2CCN2C(C)(C)C)cc(C)c1[N+](=O)[O-] ZINC000596309361 479247781 /nfs/dbraw/zinc/24/77/81/479247781.db2.gz ZKORQDOHQKXOLT-ZDUSSCGKSA-N 0 3 335.404 2.975 10 5 EFBEHN CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000596358244 479265231 /nfs/dbraw/zinc/26/52/31/479265231.db2.gz ZDSWZTWFSTXUNL-QGZVFWFLSA-N 0 3 348.447 2.653 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)s1 ZINC000611104201 479283988 /nfs/dbraw/zinc/28/39/88/479283988.db2.gz MNWOMNTUOSUAQP-CYBMUJFWSA-N 0 3 325.434 2.738 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](OCCN3CCCCC3)C2)c1 ZINC000611104337 479284147 /nfs/dbraw/zinc/28/41/47/479284147.db2.gz QBJIFBOSRLDRPF-INIZCTEOSA-N 0 3 333.432 2.984 10 5 EFBEHN O=[N+]([O-])c1ccc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c(F)c1 ZINC000596424606 479288552 /nfs/dbraw/zinc/28/85/52/479288552.db2.gz UAQRPXRAMKIVGC-INIZCTEOSA-N 0 3 345.374 2.913 10 5 EFBEHN Cc1c(NC(=O)CCN2CC[C@H](C(F)F)C2)cccc1[N+](=O)[O-] ZINC000611179384 479303218 /nfs/dbraw/zinc/30/32/18/479303218.db2.gz CADRALRXBDZFBM-NSHDSACASA-N 0 3 327.331 2.819 10 5 EFBEHN CC1(C)CCC[C@@](CO)(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000599592910 479344446 /nfs/dbraw/zinc/34/44/46/479344446.db2.gz CNVVIMXCBSYVJF-QGZVFWFLSA-N 0 3 332.404 2.892 10 5 EFBEHN CC1(C)CCC[C@](CO)(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000599592909 479344923 /nfs/dbraw/zinc/34/49/23/479344923.db2.gz CNVVIMXCBSYVJF-KRWDZBQOSA-N 0 3 332.404 2.892 10 5 EFBEHN CS[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1N(C)C ZINC000593465165 479353321 /nfs/dbraw/zinc/35/33/21/479353321.db2.gz KBSCBUPEUKVVFA-HOTGVXAUSA-N 0 3 332.429 2.625 10 5 EFBEHN Cc1c(NC(=O)[C@H](C)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000599624369 479356900 /nfs/dbraw/zinc/35/69/00/479356900.db2.gz CYJNIDFBHIFZTF-XGNSQUDCSA-N 0 3 335.404 2.632 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599625642 479358376 /nfs/dbraw/zinc/35/83/76/479358376.db2.gz NXLMRLFGKJBKAP-VGAUDOQQSA-N 0 3 341.795 2.588 10 5 EFBEHN CCOc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000611377191 479362219 /nfs/dbraw/zinc/36/22/19/479362219.db2.gz WISPKYOOAXRMHN-CYBMUJFWSA-N 0 3 331.372 2.506 10 5 EFBEHN CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCN(CC)C1 ZINC000596624134 479362755 /nfs/dbraw/zinc/36/27/55/479362755.db2.gz FJDZRTAUGCVCRS-CYBMUJFWSA-N 0 3 336.392 2.551 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000599661100 479377290 /nfs/dbraw/zinc/37/72/90/479377290.db2.gz SCWOOSQOUZYVOS-BBWFWOEESA-N 0 3 348.399 2.637 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000599661103 479377500 /nfs/dbraw/zinc/37/75/00/479377500.db2.gz SCWOOSQOUZYVOS-BRWVUGGUSA-N 0 3 348.399 2.637 10 5 EFBEHN CN1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H]1c1ccccc1 ZINC000588007911 479382914 /nfs/dbraw/zinc/38/29/14/479382914.db2.gz MKEXCIORZODVHB-SJLPKXTDSA-N 0 3 342.399 2.527 10 5 EFBEHN CN1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H]1c1ccccc1 ZINC000588007909 479383124 /nfs/dbraw/zinc/38/31/24/479383124.db2.gz MKEXCIORZODVHB-AEFFLSMTSA-N 0 3 342.399 2.527 10 5 EFBEHN COc1ccc(NC(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000599769853 479419533 /nfs/dbraw/zinc/41/95/33/479419533.db2.gz BYXOUTGRVSPHML-CQSZACIVSA-N 0 3 348.403 2.742 10 5 EFBEHN C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCN1C ZINC000599832241 479443440 /nfs/dbraw/zinc/44/34/40/479443440.db2.gz TYGBZTVHQACPKJ-RYUDHWBXSA-N 0 3 343.387 2.747 10 5 EFBEHN CCCCN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830886 479443793 /nfs/dbraw/zinc/44/37/93/479443793.db2.gz YDYZORUPZPRNLD-UHFFFAOYSA-N 0 3 345.403 2.996 10 5 EFBEHN CCCN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599834927 479445447 /nfs/dbraw/zinc/44/54/47/479445447.db2.gz PJSJRZSGFZLEFP-GFCCVEGCSA-N 0 3 343.387 2.749 10 5 EFBEHN CC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594042337 479562879 /nfs/dbraw/zinc/56/28/79/479562879.db2.gz IHFDJACYWKREPC-DZGCQCFKSA-N 0 3 335.404 2.779 10 5 EFBEHN CC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594044154 479564264 /nfs/dbraw/zinc/56/42/64/479564264.db2.gz PPOIYXYIXVZVSO-GOEBONIOSA-N 0 3 336.388 2.819 10 5 EFBEHN CN1C[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000590052936 479596842 /nfs/dbraw/zinc/59/68/42/479596842.db2.gz QRWBQCKEUGZGRP-CJNGLKHVSA-N 0 3 344.440 2.854 10 5 EFBEHN COc1ccc(-c2ccc(CN3CC[C@@]4(O)C[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000597211368 479622196 /nfs/dbraw/zinc/62/21/96/479622196.db2.gz MYJOBPYKXNNTAT-KPZWWZAWSA-N 0 3 344.367 2.820 10 5 EFBEHN CC(C)NC(=O)[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597231092 479632822 /nfs/dbraw/zinc/63/28/22/479632822.db2.gz IJIIFDHXXJQTJU-CDVVCGDMSA-N 0 3 331.416 2.845 10 5 EFBEHN O=C1[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1 ZINC000609465984 480164378 /nfs/dbraw/zinc/16/43/78/480164378.db2.gz VMQNQNAIPAADJP-KRWDZBQOSA-N 0 3 325.368 2.532 10 5 EFBEHN CN1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000609598853 480185243 /nfs/dbraw/zinc/18/52/43/480185243.db2.gz ZILCKOREZPBFTE-ZDUSSCGKSA-N 0 3 332.429 2.902 10 5 EFBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCC[C@H]1CN1CCOCC1 ZINC000610371634 480293275 /nfs/dbraw/zinc/29/32/75/480293275.db2.gz VZICVVGFBCYHTH-CVEARBPZSA-N 0 3 333.432 2.843 10 5 EFBEHN CC(=O)NCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180036577 519659970 /nfs/dbraw/zinc/65/99/70/519659970.db2.gz GNVZOIJATNWNJU-SFHVURJKSA-N 0 3 327.384 2.800 10 5 EFBEHN C[C@@H]1CN(CCCCNc2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000153932753 534463830 /nfs/dbraw/zinc/46/38/30/534463830.db2.gz WAQPDHAHHLGBGI-TXEJJXNPSA-N 0 3 342.827 2.945 10 5 EFBEHN CCOc1ccc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc1[N+](=O)[O-] ZINC000077729616 520914264 /nfs/dbraw/zinc/91/42/64/520914264.db2.gz PLJWOMGAYOKTLK-AWEZNQCLSA-N 0 3 337.420 2.700 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245477838 521633739 /nfs/dbraw/zinc/63/37/39/521633739.db2.gz USRKBEHFKYTOQG-HUUCEWRRSA-N 0 3 348.447 2.646 10 5 EFBEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000180614314 522524083 /nfs/dbraw/zinc/52/40/83/522524083.db2.gz XNRUPOCJXYKSMC-STQMWFEESA-N 0 3 329.404 2.723 10 5 EFBEHN COCCN(C)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180404301 523614390 /nfs/dbraw/zinc/61/43/90/523614390.db2.gz KHKYKZPUJAVQAD-LJQANCHMSA-N 0 3 343.427 2.852 10 5 EFBEHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154656202 526025817 /nfs/dbraw/zinc/02/58/17/526025817.db2.gz NIZHOWNXOMLXDV-FMEYXAORSA-N 0 3 342.395 2.952 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2nc(CN3CCCN(C4CC4)CC3)co2)cc1 ZINC000179177171 527342275 /nfs/dbraw/zinc/34/22/75/527342275.db2.gz RZCNSGBWQKTPDG-UHFFFAOYSA-N 0 3 342.399 2.920 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2nc(CN3CCN4CCC[C@H]4C3)cs2)c1 ZINC000245734910 527383754 /nfs/dbraw/zinc/38/37/54/527383754.db2.gz KNOHBPINDUEGHA-INIZCTEOSA-N 0 3 344.440 2.998 10 5 EFBEHN Cn1nccc1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000195504459 527600011 /nfs/dbraw/zinc/60/00/11/527600011.db2.gz HFEZCFUZMJFPIC-UHFFFAOYSA-N 0 3 330.388 2.587 10 5 EFBEHN CCC[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000159708876 528835926 /nfs/dbraw/zinc/83/59/26/528835926.db2.gz PKDDQKZXAPWPQK-AWEZNQCLSA-N 0 3 327.812 2.937 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154569296 529068345 /nfs/dbraw/zinc/06/83/45/529068345.db2.gz RLMBHEMDQHCCAJ-CYBMUJFWSA-N 0 3 342.399 2.699 10 5 EFBEHN CC1(C2CC2)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000352176616 535109028 /nfs/dbraw/zinc/10/90/28/535109028.db2.gz RNMIHBPEKINXSO-HNNXBMFYSA-N 0 3 334.416 2.847 10 5 EFBEHN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000352058722 535956363 /nfs/dbraw/zinc/95/63/63/535956363.db2.gz FYCDTKWXFSJVHK-INIZCTEOSA-N 0 3 331.416 2.568 10 5 EFBEHN COc1cc(CN(C)C[C@H](O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000433057282 536747623 /nfs/dbraw/zinc/74/76/23/536747623.db2.gz GJOPYQPXCZQTSS-MRXNPFEDSA-N 0 3 330.384 2.639 10 5 EFBEHN COc1ccc(CNCCc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000341265213 536892117 /nfs/dbraw/zinc/89/21/17/536892117.db2.gz HJMQRTLMHIRDHM-UHFFFAOYSA-N 0 3 326.356 2.812 10 5 EFBEHN CNC(=O)C1CCC(NCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761520660 576174172 /nfs/dbraw/zinc/17/41/72/576174172.db2.gz DDDNWTHAMMEKDU-UHFFFAOYSA-N 0 3 325.796 2.643 10 5 EFBEHN CC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000754432514 575435661 /nfs/dbraw/zinc/43/56/61/575435661.db2.gz ZGZPKRUHDIWMBD-CVEARBPZSA-N 0 3 332.404 2.719 10 5 EFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000755308792 575572812 /nfs/dbraw/zinc/57/28/12/575572812.db2.gz ASRVQPLMUBNLML-QAAVPBIRSA-N 0 3 329.400 2.551 10 5 EFBEHN CCCN1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756993385 575808634 /nfs/dbraw/zinc/80/86/34/575808634.db2.gz SMPKKFOIBVVRPS-AWEZNQCLSA-N 0 3 325.796 2.739 10 5 EFBEHN CCCN1CCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756993386 575808703 /nfs/dbraw/zinc/80/87/03/575808703.db2.gz SMPKKFOIBVVRPS-CQSZACIVSA-N 0 3 325.796 2.739 10 5 EFBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)c2ccccc2)n1 ZINC001125500288 1248239095 /nfs/dbraw/zinc/23/90/95/1248239095.db2.gz VFJLCQXPIXEWOH-UHFFFAOYSA-N 0 3 328.372 2.507 10 5 EFBEHN CS(=O)(=O)CC1(CCNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000850345095 1250442661 /nfs/dbraw/zinc/44/26/61/1250442661.db2.gz JGWLWEORCJCLHB-UHFFFAOYSA-N 0 3 346.836 2.553 10 5 EFBEHN O=[N+]([O-])c1cc(CN[C@H]2C[C@@H](O)C23CCC3)ccc1Br ZINC000850389222 1250461428 /nfs/dbraw/zinc/46/14/28/1250461428.db2.gz UDAYAHVQZJLAAU-QWHCGFSZSA-N 0 3 341.205 2.750 10 5 EFBEHN C[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850533455 1250525322 /nfs/dbraw/zinc/52/53/22/1250525322.db2.gz ZBXWQXMCLHRPMB-FZZIBODNSA-N 0 3 327.331 2.642 10 5 EFBEHN C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nccn1C ZINC000850571877 1250542340 /nfs/dbraw/zinc/54/23/40/1250542340.db2.gz DINPGQJCWIZVFA-CYBMUJFWSA-N 0 3 329.404 2.648 10 5 EFBEHN CC(C)n1cccc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001691606192 1251818319 /nfs/dbraw/zinc/81/83/19/1251818319.db2.gz VCZIZVBJJWKPPP-UHFFFAOYSA-N 0 3 344.415 2.839 10 5 EFBEHN C[C@H]1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000922557332 1266253593 /nfs/dbraw/zinc/25/35/93/1266253593.db2.gz OEHUDWNIUGSRKS-XHDPSFHLSA-N 0 3 332.429 2.901 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)o1 ZINC001273256891 1265014061 /nfs/dbraw/zinc/01/40/61/1265014061.db2.gz XZQWOSPQBNZDED-UHFFFAOYSA-N 0 3 331.372 2.748 10 5 EFBEHN O=C1O[C@H](CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000844338536 1278896684 /nfs/dbraw/zinc/89/66/84/1278896684.db2.gz QLUVDNPREBYHNY-RHSMWYFYSA-N 0 3 345.399 2.757 10 5 EFBEHN O=C1O[C@H](CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000844338538 1278896839 /nfs/dbraw/zinc/89/68/39/1278896839.db2.gz QLUVDNPREBYHNY-WMLDXEAASA-N 0 3 345.399 2.757 10 5 EFBEHN CCC[C@@H](C)[C@@H](CO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844378605 1278955361 /nfs/dbraw/zinc/95/53/61/1278955361.db2.gz LKHSBQYLSSYSBP-ZWNOBZJWSA-N 0 3 343.811 2.573 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)C3CCCCC3)CC2)cc1 ZINC000788816729 1276335609 /nfs/dbraw/zinc/33/56/09/1276335609.db2.gz RGVXQDXCZRGTFG-GOSISDBHSA-N 0 3 333.432 2.658 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CC[C@H](C4CC4)N3)n2)c1 ZINC000844915555 1279336553 /nfs/dbraw/zinc/33/65/53/1279336553.db2.gz GGKAUFOIPAXXBC-ZIAGYGMSSA-N 0 3 344.371 2.780 10 5 EFBEHN CC([C@H](OC(=O)CCOCC1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881135 1279904365 /nfs/dbraw/zinc/90/43/65/1279904365.db2.gz YDWJDMXQXXIZMM-ZBEGNZNMSA-N 0 3 325.336 2.892 10 5 EFBEHN COCC1(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872073032 1287420504 /nfs/dbraw/zinc/42/05/04/1287420504.db2.gz LRNXZONVWCYFOM-LBPRGKRZSA-N 0 3 326.368 2.828 10 5 EFBEHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@]1(CCO)CCOC1 ZINC000811483973 1284343420 /nfs/dbraw/zinc/34/34/20/1284343420.db2.gz NIWGMJVRFZCTII-CQSZACIVSA-N 0 3 349.214 2.780 10 5 EFBEHN O=[N+]([O-])c1ccc2cnn(CN3CCC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000747828702 1285552588 /nfs/dbraw/zinc/55/25/88/1285552588.db2.gz HPGFWKCZLQXIGS-GJZGRUSLSA-N 0 3 330.388 2.651 10 5 EFBEHN CC(COC(=O)COc1ccc(OCc2ccccc2)cc1)[N+](=O)[O-] ZINC000813101637 1285651619 /nfs/dbraw/zinc/65/16/19/1285651619.db2.gz FZODWTPPCDCHSR-AWEZNQCLSA-N 0 3 345.351 2.853 10 5 EFBEHN Cc1cc(CCC(=O)OCC(C)[N+](=O)[O-])ccc1Br ZINC000813101811 1285652135 /nfs/dbraw/zinc/65/21/35/1285652135.db2.gz JGFZHYXYDYPMHN-SNVBAGLBSA-N 0 3 330.178 2.899 10 5 EFBEHN CCCCc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813102540 1285654743 /nfs/dbraw/zinc/65/47/43/1285654743.db2.gz RMEXHONTSJOGRE-HIFRSBDPSA-N 0 3 348.399 2.591 10 5 EFBEHN CCCCc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813102542 1285654773 /nfs/dbraw/zinc/65/47/73/1285654773.db2.gz RMEXHONTSJOGRE-ZFWWWQNUSA-N 0 3 348.399 2.591 10 5 EFBEHN CC(COC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)[N+](=O)[O-] ZINC000813103299 1285655164 /nfs/dbraw/zinc/65/51/64/1285655164.db2.gz BSAPOJOIHVFRKX-SECBINFHSA-N 0 3 343.261 2.713 10 5 EFBEHN CC(COC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)[N+](=O)[O-] ZINC000813106737 1285676909 /nfs/dbraw/zinc/67/69/09/1285676909.db2.gz HFCZGSLBIHIBTF-VIFPVBQESA-N 0 3 343.261 2.713 10 5 EFBEHN COc1cc(C)c(Br)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106263 1285678671 /nfs/dbraw/zinc/67/86/71/1285678671.db2.gz BQKFXAFIPOMRSG-QMMMGPOBSA-N 0 3 332.150 2.588 10 5 EFBEHN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813108983 1285680158 /nfs/dbraw/zinc/68/01/58/1285680158.db2.gz CXXQXFJCORCCQA-MELADBBJSA-N 0 3 348.399 2.761 10 5 EFBEHN CC(COC(=O)c1csc(COc2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000813110273 1285682779 /nfs/dbraw/zinc/68/27/79/1285682779.db2.gz WFEZTKLAAZAUQO-VIFPVBQESA-N 0 3 340.332 2.683 10 5 EFBEHN CCN1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001178856159 1288945059 /nfs/dbraw/zinc/94/50/59/1288945059.db2.gz IBLDITRAIZHGOV-ZDUSSCGKSA-N 0 3 325.796 2.708 10 5 EFBEHN COC(=O)[C@]12CCC[C@H]1N(Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000880183162 1292409490 /nfs/dbraw/zinc/40/94/90/1292409490.db2.gz AOXYMUVMSMJZMM-WBVHZDCISA-N 0 3 334.372 2.521 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)Cc1ccc(F)cc1 ZINC000886238590 1294782031 /nfs/dbraw/zinc/78/20/31/1294782031.db2.gz CYNOBNKFZRRMKU-QGZVFWFLSA-N 0 3 348.374 2.826 10 5 EFBEHN CC(C)(C)n1cncc1[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001198789908 1295232240 /nfs/dbraw/zinc/23/22/40/1295232240.db2.gz APCDBTQBBDGNNA-AWEZNQCLSA-N 0 3 346.435 2.622 10 5 EFBEHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826585010 1295550591 /nfs/dbraw/zinc/55/05/91/1295550591.db2.gz KRMUIXIZFPNYST-MRXNPFEDSA-N 0 3 347.459 2.945 10 5 EFBEHN CN1CCCC[C@H]1CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000803857499 1313260724 /nfs/dbraw/zinc/26/07/24/1313260724.db2.gz XFLHSRYTNSYZTF-AWEZNQCLSA-N 0 3 334.372 2.585 10 5 EFBEHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000931626077 1297358764 /nfs/dbraw/zinc/35/87/64/1297358764.db2.gz NOYDXSHQIVWBEN-YGRLFVJLSA-N 0 3 338.795 2.724 10 5 EFBEHN CCN(CCCNC(=O)c1[nH]ccc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001490326004 1298773123 /nfs/dbraw/zinc/77/31/23/1298773123.db2.gz QIROWOTUBQRKCF-UHFFFAOYSA-N 0 3 344.415 2.873 10 5 EFBEHN Cc1ccccc1[C@H](O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000796410532 1299442955 /nfs/dbraw/zinc/44/29/55/1299442955.db2.gz XQPLJDKSZASWLG-GOSISDBHSA-N 0 3 344.415 2.545 10 5 EFBEHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCN(CC)C1 ZINC000855490627 1300978956 /nfs/dbraw/zinc/97/89/56/1300978956.db2.gz NCJJZQAKGLZTOB-LBPRGKRZSA-N 0 3 325.796 2.805 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859824658 1301589745 /nfs/dbraw/zinc/58/97/45/1301589745.db2.gz CMQYCJSIUYHJNB-DRNSDYETSA-N 0 3 341.795 2.588 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859826013 1301589944 /nfs/dbraw/zinc/58/99/44/1301589944.db2.gz UHOXXMCAQVKDES-DRNSDYETSA-N 0 3 341.795 2.588 10 5 EFBEHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860010670 1301673023 /nfs/dbraw/zinc/67/30/23/1301673023.db2.gz GUENBNGMTAAALA-KZULUSFZSA-N 0 3 339.395 2.961 10 5 EFBEHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000861347203 1302093414 /nfs/dbraw/zinc/09/34/14/1302093414.db2.gz HHOORPMJJAUPSM-QOEWNVPUSA-N 0 3 348.399 2.651 10 5 EFBEHN COc1cc(C[NH2+]C[C@@H]2c3ccccc3CN2C)c([N+](=O)[O-])cc1[O-] ZINC000865805890 1303410348 /nfs/dbraw/zinc/41/03/48/1303410348.db2.gz CSPBHPYEQLTSOO-MRXNPFEDSA-N 0 3 343.383 2.585 10 5 EFBEHN C[NH+]1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])(c2ccccc2)CC1 ZINC000866016946 1303489957 /nfs/dbraw/zinc/48/99/57/1303489957.db2.gz YYVISSSBAZVMAT-UHFFFAOYSA-N 0 3 342.399 2.771 10 5 EFBEHN CC1(C)[C@@H](N)c2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000867991004 1304063296 /nfs/dbraw/zinc/06/32/96/1304063296.db2.gz IXQXDZQNGIZQEZ-KRWDZBQOSA-N 0 3 325.368 2.963 10 5 EFBEHN Cc1ccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000868544439 1304348207 /nfs/dbraw/zinc/34/82/07/1304348207.db2.gz DUTBDYHDOGLPDI-MRXNPFEDSA-N 0 3 346.431 2.719 10 5 EFBEHN CC(C)CC(=O)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC001276935586 1311333880 /nfs/dbraw/zinc/33/38/80/1311333880.db2.gz ULBAEALPWJQZHB-AULYBMBSSA-N 0 3 325.434 2.687 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(OC)CCSC1 ZINC000903314884 1312563403 /nfs/dbraw/zinc/56/34/03/1312563403.db2.gz CUOJVBFKTBNCGV-XHDPSFHLSA-N 0 3 326.418 2.776 10 5 EFBEHN CN(CCCNC(=O)C1(C2CC2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001264997858 1316683740 /nfs/dbraw/zinc/68/37/40/1316683740.db2.gz WTJOMSCFCQAXRD-UHFFFAOYSA-N 0 3 331.416 2.723 10 5 EFBEHN CCN(CCCNC(=O)c1ccccn1)Cc1cccc([N+](=O)[O-])c1 ZINC001265096627 1316719568 /nfs/dbraw/zinc/71/95/68/1316719568.db2.gz GTVWWNNNSWLZGG-UHFFFAOYSA-N 0 3 342.399 2.632 10 5 EFBEHN CCN(CCCNC(=O)C(C)(C)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001265096559 1316719719 /nfs/dbraw/zinc/71/97/19/1316719719.db2.gz DMCHBGREXJRWSY-UHFFFAOYSA-N 0 3 325.384 2.671 10 5 EFBEHN Cc1cc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001265940626 1316921959 /nfs/dbraw/zinc/92/19/59/1316921959.db2.gz FPJDVJMLXUXNKX-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN CC/C(C)=C/C(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001279363800 1317245587 /nfs/dbraw/zinc/24/55/87/1317245587.db2.gz WKROBSDBTIXNAK-ULFOHVRDSA-N 0 3 343.427 2.841 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC001296127059 1322856793 /nfs/dbraw/zinc/85/67/93/1322856793.db2.gz MDJJEFUWEZANPO-CYBMUJFWSA-N 0 3 335.404 2.596 10 5 EFBEHN CC[C@H]1CN(C)c2ccccc2CN1CCn1c(C)ncc1[N+](=O)[O-] ZINC001307525067 1324771196 /nfs/dbraw/zinc/77/11/96/1324771196.db2.gz SWCMHKWDDBFWNL-INIZCTEOSA-N 0 3 343.431 2.830 10 5 EFBEHN CC[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCOC1 ZINC001308028669 1324789896 /nfs/dbraw/zinc/78/98/96/1324789896.db2.gz GAPPUBYZESYEBC-HIFRSBDPSA-N 0 3 346.387 2.940 10 5 EFBEHN CN(CCCNC(=O)/C=C/c1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316817857 1325073089 /nfs/dbraw/zinc/07/30/89/1325073089.db2.gz BPVOYLRKHMNNRH-JXMROGBWSA-N 0 3 342.399 2.574 10 5 EFBEHN CCN(CCCNC(=O)c1ncoc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001316885911 1325265495 /nfs/dbraw/zinc/26/54/95/1325265495.db2.gz NRHQKXPNVOVHFM-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)C1=CCCC1 ZINC001326809135 1330367863 /nfs/dbraw/zinc/36/78/63/1330367863.db2.gz JVJCNOJWUSDILB-UHFFFAOYSA-N 0 3 329.400 2.834 10 5 EFBEHN CC(F)(F)CC(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001326889121 1330379789 /nfs/dbraw/zinc/37/97/89/1330379789.db2.gz HNANYMKLGYNEJP-UHFFFAOYSA-N 0 3 341.358 2.769 10 5 EFBEHN CN(CCCN(C)C(=O)c1ccoc1)Cc1cccc([N+](=O)[O-])c1 ZINC001327187376 1330438549 /nfs/dbraw/zinc/43/85/49/1330438549.db2.gz HJUODLXQVPRAKM-UHFFFAOYSA-N 0 3 331.372 2.782 10 5 EFBEHN CN1CCN(C(C)(C)CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC001329174649 1330677226 /nfs/dbraw/zinc/67/72/26/1330677226.db2.gz XGLFSUYGVCTPOH-UHFFFAOYSA-N 0 3 343.431 2.581 10 5 EFBEHN COc1ccc(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC001331531876 1330849080 /nfs/dbraw/zinc/84/90/80/1330849080.db2.gz IOJOUXITVYRFAC-LBPRGKRZSA-N 0 3 331.372 2.900 10 5 EFBEHN C[C@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC001333027839 1331068987 /nfs/dbraw/zinc/06/89/87/1331068987.db2.gz AXQMZQDMHGFGRD-TVQRCGJNSA-N 0 3 329.194 2.872 10 5 EFBEHN C[C@@H]1COCC[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001335941979 1331418778 /nfs/dbraw/zinc/41/87/78/1331418778.db2.gz KTRCKGVLAGKJKN-SKDRFNHKSA-N 0 3 329.194 2.872 10 5 EFBEHN CC([C@H](OC(=O)[C@@H](C)[C@@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC001345234947 1332524661 /nfs/dbraw/zinc/52/46/61/1332524661.db2.gz YDAMODVZZYKONF-GVARAGBVSA-N 0 3 325.336 2.890 10 5 EFBEHN CCc1ccc(C(=O)OC[C@@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC001347391995 1332739658 /nfs/dbraw/zinc/73/96/58/1332739658.db2.gz PGSQHWOEOIYCHZ-INIZCTEOSA-N 0 3 348.399 2.567 10 5 EFBEHN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C1CCCC1 ZINC001347813900 1332775317 /nfs/dbraw/zinc/77/53/17/1332775317.db2.gz OASNNOVJYSXNHL-CQSZACIVSA-N 0 3 331.416 2.613 10 5 EFBEHN C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCN1C1CCCC1 ZINC001348349864 1332828058 /nfs/dbraw/zinc/82/80/58/1332828058.db2.gz TXPGWRMILMLVHI-CYBMUJFWSA-N 0 3 349.406 2.752 10 5 EFBEHN CC(C)[C@H]1CCCN1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475708 1334735311 /nfs/dbraw/zinc/73/53/11/1334735311.db2.gz STEKXDMPUPUAQV-IAGOWNOFSA-N 0 3 331.416 2.989 10 5 EFBEHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN(CC1CC1)CC1CC1 ZINC000848478023 1334735855 /nfs/dbraw/zinc/73/58/55/1334735855.db2.gz ASWILZZZUKTFFY-SFHVURJKSA-N 0 3 343.427 2.990 10 5 EFBEHN CN(CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)C(C1CC1)C1CC1 ZINC000848477245 1334736453 /nfs/dbraw/zinc/73/64/53/1334736453.db2.gz NRJBGYTUTVZTBP-KRWDZBQOSA-N 0 3 343.427 2.989 10 5 EFBEHN CC[C@@H]1C[C@H](C)CN1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481261 1334738057 /nfs/dbraw/zinc/73/80/57/1334738057.db2.gz XLVJTKUVNPDCRU-LXZKKBNFSA-N 0 3 331.416 2.989 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC[C@@H]3COCC[C@H]32)c1 ZINC000848482667 1334740530 /nfs/dbraw/zinc/74/05/30/1334740530.db2.gz SSYGXKHNZDQUDB-RHSMWYFYSA-N 0 3 342.399 2.917 10 5 EFBEHN C[C@@H]1[C@@H](C)[C@H](C)CN1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848489093 1334745753 /nfs/dbraw/zinc/74/57/53/1334745753.db2.gz PZYBNLSACXAENN-UMPJEAMMSA-N 0 3 331.416 2.845 10 5 EFBEHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@@H](C2CCC2)C1 ZINC000848489166 1334745812 /nfs/dbraw/zinc/74/58/12/1334745812.db2.gz QRLUPJNFBMQGMC-AEFFLSMTSA-N 0 3 343.427 2.990 10 5 EFBEHN CC1(C)C[C@@H](NC[C@@H]2CN(C3CC3)C(=O)O2)c2cc([N+](=O)[O-])ccc21 ZINC000848569310 1334799118 /nfs/dbraw/zinc/79/91/18/1334799118.db2.gz DGBNRUXPLGQHAP-CZUORRHYSA-N 0 3 345.399 2.890 10 5 EFBEHN O=C1O[C@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848571655 1334801367 /nfs/dbraw/zinc/80/13/67/1334801367.db2.gz GGDZROASMQVFTP-NVXWUHKLSA-N 0 3 345.399 2.935 10 5 EFBEHN COC[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001356535679 1335049949 /nfs/dbraw/zinc/04/99/49/1335049949.db2.gz VKTFWVNCXWYDAH-SJORKVTESA-N 0 3 334.347 2.745 10 5 EFBEHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c(CN(C)C)c1 ZINC001360369082 1335939838 /nfs/dbraw/zinc/93/98/38/1335939838.db2.gz XGNRSEZWHCQUNA-UHFFFAOYSA-N 0 3 328.372 2.921 10 5 EFBEHN CC[C@H](NCCn1c(C)ncc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001459863463 1395987764 /nfs/dbraw/zinc/98/77/64/1395987764.db2.gz HMKIWZHSALXGRU-AWEZNQCLSA-N 0 3 333.348 2.749 10 5 EFBEHN CN(CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)C ZINC001466056644 1396734339 /nfs/dbraw/zinc/73/43/39/1396734339.db2.gz RFYYDMYKJDDNHK-UHFFFAOYSA-N 0 3 327.812 2.842 10 5 EFBEHN Cc1cccnc1[C@@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473879909 1397342899 /nfs/dbraw/zinc/34/28/99/1397342899.db2.gz ZFRGXRLXFUDEKK-CYBMUJFWSA-N 0 3 328.372 2.978 10 5 EFBEHN C/C(=C/C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001479280474 1397664628 /nfs/dbraw/zinc/66/46/28/1397664628.db2.gz HQMPPQJJSJKDDU-GKLWICNWSA-N 0 3 343.427 2.936 10 5 EFBEHN CCN(CCCNC(=O)CC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001479839528 1397937552 /nfs/dbraw/zinc/93/75/52/1397937552.db2.gz WKFCNMALBFRZPK-UHFFFAOYSA-N 0 3 347.337 2.875 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1F ZINC001493781127 1398882140 /nfs/dbraw/zinc/88/21/40/1398882140.db2.gz XYFVYKIJELYWOE-UHFFFAOYSA-N 0 3 345.374 2.525 10 5 EFBEHN CC(C)N(CCCNC(=O)c1cnco1)Cc1ccccc1[N+](=O)[O-] ZINC001493865676 1398935590 /nfs/dbraw/zinc/93/55/90/1398935590.db2.gz NYROTZHHWUVIKH-UHFFFAOYSA-N 0 3 346.387 2.613 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cc1 ZINC001497344320 1401317487 /nfs/dbraw/zinc/31/74/87/1401317487.db2.gz DQRLHLAUIFYUPW-UHFFFAOYSA-N 0 3 345.374 2.986 10 5 EFBEHN Cc1ccoc1CC(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001497672024 1401538983 /nfs/dbraw/zinc/53/89/83/1401538983.db2.gz DHWXODZPHMELGK-NSCUHMNNSA-N 0 3 343.383 2.501 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccc[nH]1 ZINC001498536304 1402165073 /nfs/dbraw/zinc/16/50/73/1402165073.db2.gz IOCKGUPVJKIGBM-MDZDMXLPSA-N 0 3 342.399 2.574 10 5 EFBEHN CN(CCCN(C)C(=O)c1ccsn1)Cc1cccc([N+](=O)[O-])c1 ZINC001502346568 1404087315 /nfs/dbraw/zinc/08/73/15/1404087315.db2.gz VZDZAWKCLSIRBO-UHFFFAOYSA-N 0 3 348.428 2.645 10 5 EFBEHN CCN(CCCNC(=O)c1c[nH]cc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001566574886 1415657622 /nfs/dbraw/zinc/65/76/22/1415657622.db2.gz LXXKAMCMSLBQOU-UHFFFAOYSA-N 0 3 344.415 2.873 10 5 EFBEHN O=C(NCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cc[nH]c1 ZINC001566588733 1415673932 /nfs/dbraw/zinc/67/39/32/1415673932.db2.gz ZRCVFTFPXCZNBU-UHFFFAOYSA-N 0 3 342.399 2.707 10 5 EFBEHN C/C(=C\C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001713153273 1418341559 /nfs/dbraw/zinc/34/15/59/1418341559.db2.gz APYFESBUQCFZNI-PUHXBFOGSA-N 0 3 329.400 2.688 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)cn1 ZINC001714786810 1418638531 /nfs/dbraw/zinc/63/85/31/1418638531.db2.gz PDZDPSBMRLNWTM-UHFFFAOYSA-N 0 3 348.790 2.505 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1occc1C ZINC001716239737 1418733606 /nfs/dbraw/zinc/73/36/06/1418733606.db2.gz MCYYNYPJLJYBQO-UHFFFAOYSA-N 0 3 345.399 2.677 10 5 EFBEHN CC/C=C(/C)C(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001717008450 1419144541 /nfs/dbraw/zinc/14/45/41/1419144541.db2.gz MFBJOSAERWOYSV-DKFSEWANSA-N 0 3 343.427 2.841 10 5 EFBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)C(C)(C)C(F)F ZINC001723116480 1424429160 /nfs/dbraw/zinc/42/91/60/1424429160.db2.gz RIXPAWJTSHIHCB-UHFFFAOYSA-N 0 3 349.403 2.886 10 5 EFBEHN CC(COC(=O)CCc1cc(Br)ccc1F)[N+](=O)[O-] ZINC000813114065 713613055 /nfs/dbraw/zinc/61/30/55/713613055.db2.gz YGLASGQGDTXMEU-MRVPVSSYSA-N 0 3 334.141 2.729 10 5 EFBEHN CC(COC(=O)CCCOc1cccc(Br)c1)[N+](=O)[O-] ZINC000813110164 713542230 /nfs/dbraw/zinc/54/22/30/713542230.db2.gz UDHDZLGNSDMNJX-SNVBAGLBSA-N 0 3 346.177 2.817 10 5 EFBEHN CC[C@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC000893452681 715560805 /nfs/dbraw/zinc/56/08/05/715560805.db2.gz WRZWCLKIFYDPOC-YESZJQIVSA-N 0 3 346.431 2.924 10 5 EFBEHN C[C@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CN2CCC1CC2 ZINC000892762390 719134851 /nfs/dbraw/zinc/13/48/51/719134851.db2.gz HCDNTOCFVIJRLY-IBGZPJMESA-N 0 3 339.395 2.962 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892775919 719156950 /nfs/dbraw/zinc/15/69/50/719156950.db2.gz DUCJCXLNASWLKA-YLZCUGDYSA-N 0 3 329.400 2.599 10 5 EFBEHN O=C(CN[C@H]1CCOC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000925191136 724739615 /nfs/dbraw/zinc/73/96/15/724739615.db2.gz GAQOZBRKSQVTEY-HNNXBMFYSA-N 0 3 333.388 2.615 10 5 EFBEHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928438771 722872012 /nfs/dbraw/zinc/87/20/12/722872012.db2.gz MPACFWRWIXDRHU-FZMZJTMJSA-N 0 3 337.445 2.918 10 5 EFBEHN COc1cc(CNCC2CSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000895421495 724131008 /nfs/dbraw/zinc/13/10/08/724131008.db2.gz LJMIVIDVIYVIKE-UHFFFAOYSA-N 0 3 348.371 2.700 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@H]2CCCCN21 ZINC000908282773 727150469 /nfs/dbraw/zinc/15/04/69/727150469.db2.gz VWWHCHVGOFIEAN-DOMZBBRYSA-N 0 3 333.388 2.949 10 5 EFBEHN CC[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000912731403 727739376 /nfs/dbraw/zinc/73/93/76/727739376.db2.gz VKNKQELWBKOHAN-WCBMZHEXSA-N 0 3 329.759 2.600 10 5 EFBEHN COc1ccc(CNC[C@H](O)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000917418053 727802923 /nfs/dbraw/zinc/80/29/23/727802923.db2.gz XLQMYMHKHCIRAK-HNNXBMFYSA-N 0 3 338.310 2.705 10 5 EFBEHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384702 727830516 /nfs/dbraw/zinc/83/05/16/727830516.db2.gz CEEKFXSSWSQICU-UWVGGRQHSA-N 0 3 343.786 2.876 10 5 EFBEHN CN(C)Cc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c(F)c1 ZINC001570312840 1086141235 /nfs/dbraw/zinc/14/12/35/1086141235.db2.gz ZWWUPHMIWMSHJH-UHFFFAOYSA-N 0 3 332.335 2.630 10 5 EFBEHN Cc1ccccc1[C@@H](CO)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001648333354 1089986687 /nfs/dbraw/zinc/98/66/87/1089986687.db2.gz OZACKUMTBCAWPI-GOSISDBHSA-N 0 3 330.384 2.947 10 5 EFBEHN CC(C)[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001648650107 1092245177 /nfs/dbraw/zinc/24/51/77/1092245177.db2.gz UFMNERPAAFIJMG-STQMWFEESA-N 0 3 337.445 2.991 10 5 EFBEHN CN(C)CCCC(C)(C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001651081652 1093523825 /nfs/dbraw/zinc/52/38/25/1093523825.db2.gz HOMCFNQGUVKBKO-UHFFFAOYSA-N 0 3 343.449 2.531 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c[nH]1 ZINC001268514240 1097111233 /nfs/dbraw/zinc/11/12/33/1097111233.db2.gz UNDVEUKBGGMMSZ-OWOJBTEDSA-N 0 3 348.790 2.652 10 5 EFBEHN Cc1nc(C)c(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001481312693 1099229424 /nfs/dbraw/zinc/22/94/24/1099229424.db2.gz YMICGZDSXFQNOY-UHFFFAOYSA-N 0 3 348.428 2.530 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC001620561314 1099361272 /nfs/dbraw/zinc/36/12/72/1099361272.db2.gz SOTCZQUEOLXOSA-MAEOIBBWSA-N 0 3 328.368 2.613 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CCC(c3ncccn3)CC2)c1 ZINC001620595833 1099362353 /nfs/dbraw/zinc/36/23/53/1099362353.db2.gz PERVAYTUWYRSQQ-UHFFFAOYSA-N 0 3 328.372 2.643 10 5 EFBEHN CC(C)N(CCCNC(=O)c1cc[nH]c1)Cc1ccccc1[N+](=O)[O-] ZINC001481350868 1099420436 /nfs/dbraw/zinc/42/04/36/1099420436.db2.gz RDHZNCZPUMDQOE-UHFFFAOYSA-N 0 3 344.415 2.953 10 5 EFBEHN CN(C)Cc1cccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC001623746148 1099620811 /nfs/dbraw/zinc/62/08/11/1099620811.db2.gz PMAPZTGXZDJZOE-UHFFFAOYSA-N 0 3 331.347 2.977 10 5 EFBEHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H](c1ccccc1)N(C)C ZINC001625652015 1099835448 /nfs/dbraw/zinc/83/54/48/1099835448.db2.gz RUBAKHSRVMZOJZ-YVEFUNNKSA-N 0 3 342.399 2.598 10 5 EFBEHN C[C@@H]1CCCN(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001629984067 1100265942 /nfs/dbraw/zinc/26/59/42/1100265942.db2.gz OCVOSXWGRBHEOS-SNVBAGLBSA-N 0 3 343.786 2.849 10 5 EFBEHN CCOc1ccc(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC001632473877 1100476311 /nfs/dbraw/zinc/47/63/11/1100476311.db2.gz YWIXXJCVGUIHOS-CQSZACIVSA-N 0 3 335.404 2.596 10 5 EFBEHN CC(C)N1CCC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001632477440 1100477319 /nfs/dbraw/zinc/47/73/19/1100477319.db2.gz LVWPFUNQWBSRBG-NSHDSACASA-N 0 3 325.796 2.851 10 5 EFBEHN CCN1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001639265815 1100931342 /nfs/dbraw/zinc/93/13/42/1100931342.db2.gz AKDZWLXOQFXLMP-HNNXBMFYSA-N 0 3 333.432 2.719 10 5 EFBEHN CCN1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C(C)(C)C1 ZINC001639266167 1100931832 /nfs/dbraw/zinc/93/18/32/1100931832.db2.gz IEODICYGNXTBSE-LBPRGKRZSA-N 0 3 325.796 2.708 10 5 EFBEHN CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c(F)c1 ZINC001642612073 1101227745 /nfs/dbraw/zinc/22/77/45/1101227745.db2.gz MWHSLAHIDPNJMX-UHFFFAOYSA-N 0 3 332.335 2.630 10 5 EFBEHN C[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CCN1C1CCCC1 ZINC001651418554 1101325732 /nfs/dbraw/zinc/32/57/32/1101325732.db2.gz MCWJXBUPPWYHEI-ZDUSSCGKSA-N 0 3 329.404 2.696 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001652491552 1101500097 /nfs/dbraw/zinc/50/00/97/1101500097.db2.gz LJNVOVJUBVARBK-GOEBONIOSA-N 0 3 333.432 2.620 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001654081494 1101679826 /nfs/dbraw/zinc/67/98/26/1101679826.db2.gz YIJICDYWIBTGEC-VXGBXAGGSA-N 0 3 344.371 2.655 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1([C@@H]2CCCO2)CCC1 ZINC001655100258 1101786202 /nfs/dbraw/zinc/78/62/02/1101786202.db2.gz COKMJNWHEFEQBE-HNNXBMFYSA-N 0 3 333.388 2.533 10 5 EFBEHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001655220223 1101796450 /nfs/dbraw/zinc/79/64/50/1101796450.db2.gz ANACFDDPVWLHKM-MEBBXXQBSA-N 0 3 343.339 2.826 10 5 EFBEHN Cc1oc(C)c(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c1C ZINC001266765837 1102161488 /nfs/dbraw/zinc/16/14/88/1102161488.db2.gz ATHGONXWSJSWMY-UHFFFAOYSA-N 0 3 345.399 2.975 10 5 EFBEHN CN(CCOc1ccc2c(c1)OCO2)CCc1ccccc1[N+](=O)[O-] ZINC001658612166 1102473169 /nfs/dbraw/zinc/47/31/69/1102473169.db2.gz HJBOYZWIDPRLCE-UHFFFAOYSA-N 0 3 344.367 2.877 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](c2nnc(N)o2)C1 ZINC001659612852 1102553659 /nfs/dbraw/zinc/55/36/59/1102553659.db2.gz RCBGFVWFGYVBLD-RYUDHWBXSA-N 0 3 331.376 2.809 10 5 EFBEHN O=C(CNC1(CO)CCCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC001659852340 1102571662 /nfs/dbraw/zinc/57/16/62/1102571662.db2.gz BHIJUVONLZLRBL-UHFFFAOYSA-N 0 3 335.404 2.598 10 5 EFBEHN CCN(CCCNC(=O)c1ncoc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001660498708 1102798567 /nfs/dbraw/zinc/79/85/67/1102798567.db2.gz ZYPZHLNOUBDSHL-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1Cc1ccnn1C ZINC001660700023 1102935753 /nfs/dbraw/zinc/93/57/53/1102935753.db2.gz AEOFARLQZOVVPK-HNNXBMFYSA-N 0 3 330.388 2.544 10 5 EFBEHN Cc1cccc(C(=O)N(C)CCCNCc2csc([N+](=O)[O-])c2)n1 ZINC001483453185 1103746931 /nfs/dbraw/zinc/74/69/31/1103746931.db2.gz XSJSBFHYGBWAGY-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN Cc1ccncc1C(=O)N(C)CCCNCc1csc([N+](=O)[O-])c1 ZINC001483457583 1103752387 /nfs/dbraw/zinc/75/23/87/1103752387.db2.gz ORLPXGCVVLPYCY-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(CF)cc1 ZINC001664398980 1104378063 /nfs/dbraw/zinc/37/80/63/1104378063.db2.gz GFZCLCSQODUBHS-UHFFFAOYSA-N 0 3 345.374 2.926 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cccs1 ZINC001482908254 1105156620 /nfs/dbraw/zinc/15/66/20/1105156620.db2.gz LNSAHLUFMXWUHL-UHFFFAOYSA-N 0 3 333.413 2.908 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1 ZINC001668472447 1105304012 /nfs/dbraw/zinc/30/40/12/1105304012.db2.gz CIUHRMLKEROMTN-UHFFFAOYSA-N 0 3 341.411 2.776 10 5 EFBEHN CC[C@H](NC(=O)N1CCCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090685775 1106495677 /nfs/dbraw/zinc/49/56/77/1106495677.db2.gz FXRWOFYAFXVGCD-INIZCTEOSA-N 0 3 334.420 2.783 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccc(F)s1 ZINC001483100929 1108660564 /nfs/dbraw/zinc/66/05/64/1108660564.db2.gz QTURNEYKZAYJDG-OWOJBTEDSA-N 0 3 349.387 2.871 10 5 EFBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)Cc2cccs2)n1 ZINC001126878425 1109007603 /nfs/dbraw/zinc/00/76/03/1109007603.db2.gz YPXKLKUTKANCFB-UHFFFAOYSA-N 0 3 348.428 2.564 10 5 EFBEHN CC[C@@H]1COC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000699547964 1111547916 /nfs/dbraw/zinc/54/79/16/1111547916.db2.gz SCXDKLLOVYXOIZ-SKDRFNHKSA-N 0 3 329.194 2.872 10 5 EFBEHN COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)N(C)C)cc1 ZINC000009216592 201770012 /nfs/dbraw/zinc/77/00/12/201770012.db2.gz QEJZUTMOWHESMQ-ZDUSSCGKSA-N 0 3 349.412 2.698 10 5 EFBEHN CN(C)CCN1C(=O)c2cccc3c(N)c4ccccc4c(c32)C1=O ZINC000029348027 202185294 /nfs/dbraw/zinc/18/52/94/202185294.db2.gz BVJYKGQPRKCYMA-UHFFFAOYSA-N 0 3 333.391 2.733 10 5 EFBEHN CN(C)C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000172306354 239167030 /nfs/dbraw/zinc/16/70/30/239167030.db2.gz HRNMJSCVBONMBZ-INIZCTEOSA-N 0 3 349.434 2.791 10 5 EFBEHN Cc1ccc([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000229339135 242157093 /nfs/dbraw/zinc/15/70/93/242157093.db2.gz QTGDPSDIACEXHL-MSOLQXFVSA-N 0 3 344.415 2.606 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000412136984 243163059 /nfs/dbraw/zinc/16/30/59/243163059.db2.gz VQZZLWYIUKZOAZ-OSMBCOQSSA-N 0 3 331.416 2.639 10 5 EFBEHN CNc1ccc(CNCC[S@@](=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000069653342 203031488 /nfs/dbraw/zinc/03/14/88/203031488.db2.gz QLQCNJCRNIXFHA-QHCPKHFHSA-N 0 3 333.413 2.534 10 5 EFBEHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc3cncn3c2)n1 ZINC000414188234 244038323 /nfs/dbraw/zinc/03/83/23/244038323.db2.gz QHEKQOQEMNZLQK-JKSUJKDBSA-N 0 3 340.387 2.713 10 5 EFBEHN COC(=O)COc1ccc(CN2CC(C)(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414519417 244207696 /nfs/dbraw/zinc/20/76/96/244207696.db2.gz BCBFDSCEJURGBI-LBPRGKRZSA-N 0 3 336.388 2.767 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCNCc1cccnc1 ZINC000414659393 244279949 /nfs/dbraw/zinc/27/99/49/244279949.db2.gz MUTXMDGJSGJBTB-UHFFFAOYSA-N 0 3 343.387 2.600 10 5 EFBEHN CCCC(=O)N[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101563292 204009368 /nfs/dbraw/zinc/00/93/68/204009368.db2.gz UGPHREPTVROXNJ-HNNXBMFYSA-N 0 3 349.431 2.744 10 5 EFBEHN CN(C)C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000128224763 205138303 /nfs/dbraw/zinc/13/83/03/205138303.db2.gz WCBLUHVTOQBNIL-QGZVFWFLSA-N 0 3 345.399 2.617 10 5 EFBEHN CN(C)C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000128225051 205138569 /nfs/dbraw/zinc/13/85/69/205138569.db2.gz WCBLUHVTOQBNIL-KRWDZBQOSA-N 0 3 345.399 2.617 10 5 EFBEHN CC(C)c1ccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000245776750 205155898 /nfs/dbraw/zinc/15/58/98/205155898.db2.gz SUIDUBCXRVWDFZ-HNAYVOBHSA-N 0 3 347.459 2.871 10 5 EFBEHN CN(C)C1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000444854708 250357798 /nfs/dbraw/zinc/35/77/98/250357798.db2.gz WIKUXRIWORVVHY-UHFFFAOYSA-N 0 3 349.434 2.848 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000153676431 296311827 /nfs/dbraw/zinc/31/18/27/296311827.db2.gz OKCLJCHRJBYAEL-CYBMUJFWSA-N 0 3 344.415 2.609 10 5 EFBEHN COC[C@](C)(O)CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449383305 251004628 /nfs/dbraw/zinc/00/46/28/251004628.db2.gz GKNXCQNYJXHNBS-QGZVFWFLSA-N 0 3 334.372 2.732 10 5 EFBEHN C[C@@H]1OCC[C@@H]1N(CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449679064 251113561 /nfs/dbraw/zinc/11/35/61/251113561.db2.gz QULGHDCWCNCCCC-BBRMVZONSA-N 0 3 346.383 2.827 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000175361654 207120596 /nfs/dbraw/zinc/12/05/96/207120596.db2.gz ICEKBHAKROOAAI-OAHLLOKOSA-N 0 3 345.403 2.561 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000177024245 207283751 /nfs/dbraw/zinc/28/37/51/207283751.db2.gz CBBWTCXJHPMQQZ-CQSZACIVSA-N 0 3 339.823 2.733 10 5 EFBEHN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268631368 252084501 /nfs/dbraw/zinc/08/45/01/252084501.db2.gz ZYWZXTHXEADBCS-GOSISDBHSA-N 0 3 339.395 2.941 10 5 EFBEHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1nnc2ccccn21)C1CC1 ZINC000183824997 285161435 /nfs/dbraw/zinc/16/14/35/285161435.db2.gz GOSGYFWJBZVVPU-OAHLLOKOSA-N 0 3 337.383 2.748 10 5 EFBEHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000344630629 142052252 /nfs/dbraw/zinc/05/22/52/142052252.db2.gz WQQBSIHZFCJOME-MRXNPFEDSA-N 0 3 344.415 2.926 10 5 EFBEHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000346174822 142161110 /nfs/dbraw/zinc/16/11/10/142161110.db2.gz VKHBWGWFOQIXRT-OAHLLOKOSA-N 0 3 342.399 2.707 10 5 EFBEHN Cc1cnn(CCCCCN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000347785353 142271796 /nfs/dbraw/zinc/27/17/96/142271796.db2.gz CRYNKBASDOAJAR-UHFFFAOYSA-N 0 3 329.404 2.723 10 5 EFBEHN Cc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(C)c1O ZINC000347865863 142284445 /nfs/dbraw/zinc/28/44/45/142284445.db2.gz ZWWFMCNAFASZNS-HNNXBMFYSA-N 0 3 342.399 2.999 10 5 EFBEHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccsc1 ZINC000349316293 142319845 /nfs/dbraw/zinc/31/98/45/142319845.db2.gz WMVFENZSDYKOOJ-ABAIWWIYSA-N 0 3 349.412 2.697 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CO)c1ccsc1 ZINC000352031305 146270451 /nfs/dbraw/zinc/27/04/51/146270451.db2.gz DKLUULODCPERSW-HNNXBMFYSA-N 0 3 349.412 2.617 10 5 EFBEHN COc1cccc(CCCN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000353033317 146381151 /nfs/dbraw/zinc/38/11/51/146381151.db2.gz NCJUVFNSEKENAM-UHFFFAOYSA-N 0 3 327.384 2.989 10 5 EFBEHN COC(=O)COc1ccc(CN2CCC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000355606533 147011223 /nfs/dbraw/zinc/01/12/23/147011223.db2.gz LJOABALTMWBHJH-ZDUSSCGKSA-N 0 3 336.388 2.769 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356340734 147217299 /nfs/dbraw/zinc/21/72/99/147217299.db2.gz PDFJKPYOFXNJEW-XJKSGUPXSA-N 0 3 333.432 2.814 10 5 EFBEHN CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CCN(C2CC2)C1 ZINC000356741903 147324717 /nfs/dbraw/zinc/32/47/17/147324717.db2.gz LKSDBIGDJPHVDX-LBPRGKRZSA-N 0 3 327.331 2.869 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000378424525 152081533 /nfs/dbraw/zinc/08/15/33/152081533.db2.gz NALWRTOJNAZOGK-DOMZBBRYSA-N 0 3 326.780 2.676 10 5 EFBEHN COc1ccccc1[C@@H]1CNCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000261804616 286512385 /nfs/dbraw/zinc/51/23/85/286512385.db2.gz RFGZCZOAARPOPZ-KRWDZBQOSA-N 0 3 345.374 2.889 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000123968348 222359115 /nfs/dbraw/zinc/35/91/15/222359115.db2.gz ODIJUXGRFMDPIS-AAEUAGOBSA-N 0 3 339.823 2.732 10 5 EFBEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000194191108 265366026 /nfs/dbraw/zinc/36/60/26/265366026.db2.gz OBNQFMPSVWKMKK-OAHLLOKOSA-N 0 3 336.436 2.713 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000276544494 267009921 /nfs/dbraw/zinc/00/99/21/267009921.db2.gz GSSQYELDRVQCFX-JQWIXIFHSA-N 0 3 337.807 2.912 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000276544490 267010000 /nfs/dbraw/zinc/01/00/00/267010000.db2.gz GSSQYELDRVQCFX-CMPLNLGQSA-N 0 3 337.807 2.912 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000276544500 267010635 /nfs/dbraw/zinc/01/06/35/267010635.db2.gz GSSQYELDRVQCFX-ZYHUDNBSSA-N 0 3 337.807 2.912 10 5 EFBEHN C[C@H](N[C@H]1CCOC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000277578272 267202659 /nfs/dbraw/zinc/20/26/59/267202659.db2.gz VPJCBOYRIRCROI-NRUUGDAUSA-N 0 3 341.795 2.590 10 5 EFBEHN COc1cc(CN(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000269662344 273087427 /nfs/dbraw/zinc/08/74/27/273087427.db2.gz KGZLLXIPUPIIHE-SFHVURJKSA-N 0 3 346.383 2.777 10 5 EFBEHN C[C@@H]1C[C@@H](C)[C@@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000355791798 274384786 /nfs/dbraw/zinc/38/47/86/274384786.db2.gz ZVLZQLCXCWDRRO-MGPQQGTHSA-N 0 3 331.416 2.850 10 5 EFBEHN CC(C)c1ccc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000180230824 276053255 /nfs/dbraw/zinc/05/32/55/276053255.db2.gz SUIDUBCXRVWDFZ-KXBFYZLASA-N 0 3 347.459 2.871 10 5 EFBEHN C[C@@H](NCCC(=O)Nc1cc(N)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000342291079 278342455 /nfs/dbraw/zinc/34/24/55/278342455.db2.gz FJRRRINPCZOCQL-LLVKDONJSA-N 0 3 346.362 2.996 10 5 EFBEHN CC(C)Oc1cc(C(=O)N2CCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000411905931 279718304 /nfs/dbraw/zinc/71/83/04/279718304.db2.gz CNFWUZLQVTXPOY-CQSZACIVSA-N 0 3 335.404 2.548 10 5 EFBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000247037877 281198230 /nfs/dbraw/zinc/19/82/30/281198230.db2.gz UZQVYBIQEWRFMP-STQMWFEESA-N 0 3 337.807 2.947 10 5 EFBEHN CCc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)cc1[N+](=O)[O-] ZINC000245407815 281399277 /nfs/dbraw/zinc/39/92/77/281399277.db2.gz CZNLMPIOFVVRMS-CVEARBPZSA-N 0 3 331.416 2.856 10 5 EFBEHN O=C(CSCc1ccc([N+](=O)[O-])cc1)NC1CCN(C2CC2)CC1 ZINC000131129921 293187597 /nfs/dbraw/zinc/18/75/97/293187597.db2.gz UDEAVWIBKLTFLK-UHFFFAOYSA-N 0 3 349.456 2.571 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295735047 295368235 /nfs/dbraw/zinc/36/82/35/295368235.db2.gz WETRAYHNCWESOK-OFQRWUPVSA-N 0 3 339.395 2.937 10 5 EFBEHN COC(=O)c1cc(NCCN2CCC[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000301688402 311152528 /nfs/dbraw/zinc/15/25/28/311152528.db2.gz MOYSEGLBISTLAW-LBPRGKRZSA-N 0 3 335.404 2.834 10 5 EFBEHN COC(=O)c1cc(N[C@@H](C)CN2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000301713808 311154244 /nfs/dbraw/zinc/15/42/44/311154244.db2.gz ZELAGBMTNYEQOG-ZDUSSCGKSA-N 0 3 335.404 2.976 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000301879333 311164363 /nfs/dbraw/zinc/16/43/63/311164363.db2.gz ZICPVOQPDQJBAE-KRWDZBQOSA-N 0 3 333.432 2.984 10 5 EFBEHN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](O)CN1CCCCC1 ZINC000302695143 311196942 /nfs/dbraw/zinc/19/69/42/311196942.db2.gz SOVVUYQXQQTUDO-ZDUSSCGKSA-N 0 3 327.812 2.815 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CNCCC3(F)F)o2)c1 ZINC000415009978 312076644 /nfs/dbraw/zinc/07/66/44/312076644.db2.gz XXKKURDCNJBXOT-OAHLLOKOSA-N 0 3 337.326 2.942 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CNCCC3(F)F)o2)c1 ZINC000415009976 312076650 /nfs/dbraw/zinc/07/66/50/312076650.db2.gz XXKKURDCNJBXOT-HNNXBMFYSA-N 0 3 337.326 2.942 10 5 EFBEHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000492937264 314184588 /nfs/dbraw/zinc/18/45/88/314184588.db2.gz QPUOJZWIKHVJNF-SUMWQHHRSA-N 0 3 336.388 2.815 10 5 EFBEHN CCN1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C[C@H]1C ZINC000497515958 315393293 /nfs/dbraw/zinc/39/32/93/315393293.db2.gz PZAKNGRVWNYNDK-CHWSQXEVSA-N 0 3 335.404 2.609 10 5 EFBEHN CCO[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000518562504 315819339 /nfs/dbraw/zinc/81/93/39/315819339.db2.gz JNDQVPVFAKSWOD-ONIAQPFYSA-N 0 3 342.399 2.787 10 5 EFBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337633 316154848 /nfs/dbraw/zinc/15/48/48/316154848.db2.gz KCYQBKSISJCDQW-KBPBESRZSA-N 0 3 334.420 2.657 10 5 EFBEHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531633420 317293831 /nfs/dbraw/zinc/29/38/31/317293831.db2.gz VTXAVBBRDBRNMP-KRWDZBQOSA-N 0 3 342.399 2.803 10 5 EFBEHN C[C@@H](NC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531882555 317327766 /nfs/dbraw/zinc/32/77/66/317327766.db2.gz BRTVLDUNBBFTHK-CYBMUJFWSA-N 0 3 342.399 2.849 10 5 EFBEHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532136973 317360447 /nfs/dbraw/zinc/36/04/47/317360447.db2.gz BWMGROANQYOIPP-UKRRQHHQSA-N 0 3 340.383 2.555 10 5 EFBEHN COC[C@](C)(O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000543702517 317859118 /nfs/dbraw/zinc/85/91/18/317859118.db2.gz YOFUCEPLFQLCBC-QZTJIDSGSA-N 0 3 330.384 2.671 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1CN1CCc2ccccc2[C@H]1CN ZINC000566245066 319051495 /nfs/dbraw/zinc/05/14/95/319051495.db2.gz BQQAFZGNKBFMHP-QGZVFWFLSA-N 0 3 327.384 2.662 10 5 EFBEHN CC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000567692052 319198924 /nfs/dbraw/zinc/19/89/24/319198924.db2.gz NCEDSUQDGBMZBY-UHFFFAOYSA-N 0 3 326.418 2.538 10 5 EFBEHN CCC[C@H](C)[C@H](CO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000570097792 319444014 /nfs/dbraw/zinc/44/40/14/319444014.db2.gz LETYMMJAJRFCBN-GWCFXTLKSA-N 0 3 343.811 2.573 10 5 EFBEHN C[C@H](C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184199769 323359013 /nfs/dbraw/zinc/35/90/13/323359013.db2.gz IUUYYJKWGQFDOS-AGIUHOORSA-N 0 3 337.395 2.779 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](NCCCn2ccnn2)c2ccccc2)c1 ZINC000184264758 323360671 /nfs/dbraw/zinc/36/06/71/323360671.db2.gz PHYWYGMEPPHREN-GOSISDBHSA-N 0 3 337.383 2.956 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184452548 323364886 /nfs/dbraw/zinc/36/48/86/323364886.db2.gz XQUQRSMVSKSSMT-GXTWGEPZSA-N 0 3 337.395 2.780 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)CN1CCOCC1 ZINC000124040178 473207358 /nfs/dbraw/zinc/20/73/58/473207358.db2.gz TXTYXTPCOASHKQ-HNNXBMFYSA-N 0 3 335.448 2.946 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000124234312 473223038 /nfs/dbraw/zinc/22/30/38/473223038.db2.gz AKOGSLIZMIAQOT-CMPLNLGQSA-N 0 3 325.796 2.803 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000124572320 473265750 /nfs/dbraw/zinc/26/57/50/473265750.db2.gz YNDLMYCBWJDULQ-ZYHUDNBSSA-N 0 3 325.796 2.803 10 5 EFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190483544 473290086 /nfs/dbraw/zinc/29/00/86/473290086.db2.gz JDJFGBBIKGFJCQ-SFHVURJKSA-N 0 3 340.427 2.944 10 5 EFBEHN O=C(CCN1CCc2ccccc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000026156139 472125826 /nfs/dbraw/zinc/12/58/26/472125826.db2.gz VRGKEXKBQUPVOG-UHFFFAOYSA-N 0 3 325.368 2.982 10 5 EFBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056347443 472309442 /nfs/dbraw/zinc/30/94/42/472309442.db2.gz MSXITPGEWMPXFC-INIZCTEOSA-N 0 3 342.399 2.889 10 5 EFBEHN O=C(CN[C@H]1CCCC[C@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000128736310 472491475 /nfs/dbraw/zinc/49/14/75/472491475.db2.gz DPBNQLCNIUXXPJ-DZGCQCFKSA-N 0 3 343.387 2.503 10 5 EFBEHN CCN(CC)C(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058524107 472578490 /nfs/dbraw/zinc/57/84/90/472578490.db2.gz VQWMAYHHPOVHDX-UHFFFAOYSA-N 0 3 349.431 2.554 10 5 EFBEHN CCC[C@H](N[C@@H]1CCN(C(=O)NCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090409762 472615211 /nfs/dbraw/zinc/61/52/11/472615211.db2.gz GAMFCWHACADWCM-ZBFHGGJFSA-N 0 3 334.420 2.829 10 5 EFBEHN Cc1ccc(C[C@H](C)N(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090550092 472633822 /nfs/dbraw/zinc/63/38/22/472633822.db2.gz HKQGUPFRSAPANI-HNNXBMFYSA-N 0 3 329.400 2.628 10 5 EFBEHN CC[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090563038 472636984 /nfs/dbraw/zinc/63/69/84/472636984.db2.gz CYICFDIPQFUSAT-BBRMVZONSA-N 0 3 334.420 2.687 10 5 EFBEHN CC[C@H](NC(=O)NC[C@H]1CCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000090591910 472641200 /nfs/dbraw/zinc/64/12/00/472641200.db2.gz KERKIAVSPRILCG-CVEARBPZSA-N 0 3 334.420 2.829 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047142688 472659700 /nfs/dbraw/zinc/65/97/00/472659700.db2.gz HTYYMXAENZNWFT-LLVKDONJSA-N 0 3 325.796 2.852 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC[C@@H]2C)c1 ZINC000060524369 472663834 /nfs/dbraw/zinc/66/38/34/472663834.db2.gz QGFVPHNGLWRYMJ-LBPRGKRZSA-N 0 3 337.445 2.921 10 5 EFBEHN CCCN1CCCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000078251423 472681362 /nfs/dbraw/zinc/68/13/62/472681362.db2.gz MAPZRVBXIGIICI-UHFFFAOYSA-N 0 3 348.447 2.655 10 5 EFBEHN COC(=O)/C=C/c1ccc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133534188 472815095 /nfs/dbraw/zinc/81/50/95/472815095.db2.gz OJVWFEQSXABDOP-RDGOESDJSA-N 0 3 345.399 2.818 10 5 EFBEHN COCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092649499 472951488 /nfs/dbraw/zinc/95/14/88/472951488.db2.gz LTGBDIKQUQRUDA-CYBMUJFWSA-N 0 3 330.388 2.666 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H](N3CCCC3)C2)c1 ZINC000107522846 472961749 /nfs/dbraw/zinc/96/17/49/472961749.db2.gz QNDCCYCFWUAIDT-AWEZNQCLSA-N 0 3 347.415 2.694 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107525688 472962077 /nfs/dbraw/zinc/96/20/77/472962077.db2.gz DWAJENDSYXGOAH-HNNXBMFYSA-N 0 3 347.415 2.694 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107525689 472962206 /nfs/dbraw/zinc/96/22/06/472962206.db2.gz DWAJENDSYXGOAH-OAHLLOKOSA-N 0 3 347.415 2.694 10 5 EFBEHN Cc1cc(NC2CCN(CCN(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080568820 473048033 /nfs/dbraw/zinc/04/80/33/473048033.db2.gz BESGSVNCWWKBSJ-UHFFFAOYSA-N 0 3 340.855 2.995 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000123118278 473098753 /nfs/dbraw/zinc/09/87/53/473098753.db2.gz FTSYRLGCEOWADK-SWLSCSKDSA-N 0 3 346.431 2.724 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000123118670 473099393 /nfs/dbraw/zinc/09/93/93/473099393.db2.gz FTSYRLGCEOWADK-WFASDCNBSA-N 0 3 346.431 2.724 10 5 EFBEHN CCn1cc(C2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000137019520 473191322 /nfs/dbraw/zinc/19/13/22/473191322.db2.gz VURZEJVBCKXEQU-GOSISDBHSA-N 0 3 344.415 2.724 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000123853528 473192508 /nfs/dbraw/zinc/19/25/08/473192508.db2.gz LKIUJNGLRQGUNA-RYUDHWBXSA-N 0 3 337.445 2.871 10 5 EFBEHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](CNc2ccccn2)C1 ZINC000171640915 473427702 /nfs/dbraw/zinc/42/77/02/473427702.db2.gz GWASYGKSKQPWID-OAHLLOKOSA-N 0 3 342.399 2.803 10 5 EFBEHN CCO[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2C)C12CCOCC2 ZINC000185654008 473479767 /nfs/dbraw/zinc/47/97/67/473479767.db2.gz VUNNDIKPBVNEKP-IRXDYDNUSA-N 0 3 334.416 2.967 10 5 EFBEHN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2C)C12CCOCC2 ZINC000185653992 473479785 /nfs/dbraw/zinc/47/97/85/473479785.db2.gz VUNNDIKPBVNEKP-DLBZAZTESA-N 0 3 334.416 2.967 10 5 EFBEHN CCO[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C12CCOCC2 ZINC000185655899 473480771 /nfs/dbraw/zinc/48/07/71/473480771.db2.gz RTBQDDHUYBIOBR-OLZOCXBDSA-N 0 3 326.418 2.720 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000185768752 473509738 /nfs/dbraw/zinc/50/97/38/473509738.db2.gz SANLXZZNUZKMAL-VSOYFRJCSA-N 0 3 329.400 2.695 10 5 EFBEHN Cc1ccc([C@H](C)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000166529832 473528674 /nfs/dbraw/zinc/52/86/74/473528674.db2.gz NTVJYUVEDYDZCL-HOCLYGCPSA-N 0 3 343.431 2.956 10 5 EFBEHN CC(C)c1nnc2n1C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178652387 473542031 /nfs/dbraw/zinc/54/20/31/473542031.db2.gz UDMHYYPGMPVMIH-TZMCWYRMSA-N 0 3 329.404 2.975 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2nc(CN3CCN4CCC[C@@H]4C3)cs2)c1 ZINC000179545608 473693768 /nfs/dbraw/zinc/69/37/68/473693768.db2.gz KNOHBPINDUEGHA-MRXNPFEDSA-N 0 3 344.440 2.998 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000281568303 473768750 /nfs/dbraw/zinc/76/87/50/473768750.db2.gz MBQKCUUVZXNHLE-GJZGRUSLSA-N 0 3 349.431 2.613 10 5 EFBEHN Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180414976 473872731 /nfs/dbraw/zinc/87/27/31/473872731.db2.gz ORCUYEBEJQHFHU-YOEHRIQHSA-N 0 3 330.384 2.994 10 5 EFBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000246558370 473901272 /nfs/dbraw/zinc/90/12/72/473901272.db2.gz LRVSDNNCTDAHRQ-STQMWFEESA-N 0 3 337.807 2.947 10 5 EFBEHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1CN(C)C ZINC000263914823 473904315 /nfs/dbraw/zinc/90/43/15/473904315.db2.gz LZPFSTMYZNPLGJ-TZMCWYRMSA-N 0 3 337.445 2.628 10 5 EFBEHN NC(=O)c1coc(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000187723411 473909632 /nfs/dbraw/zinc/90/96/32/473909632.db2.gz GDWCPMVZTMWSEL-WBMJQRKESA-N 0 3 343.383 2.788 10 5 EFBEHN COc1ccc([C@@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000180868539 473979712 /nfs/dbraw/zinc/97/97/12/473979712.db2.gz RHVFNQADZSSCDX-MLGOLLRUSA-N 0 3 346.383 2.996 10 5 EFBEHN C[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000174105571 473986934 /nfs/dbraw/zinc/98/69/34/473986934.db2.gz WZTMMTSTDOLNEV-YDHLFZDLSA-N 0 3 334.420 2.780 10 5 EFBEHN C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000174105530 473987336 /nfs/dbraw/zinc/98/73/36/473987336.db2.gz WZTMMTSTDOLNEV-VNHYZAJKSA-N 0 3 334.420 2.780 10 5 EFBEHN C[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000174105555 473987492 /nfs/dbraw/zinc/98/74/92/473987492.db2.gz WZTMMTSTDOLNEV-IPYPFGDCSA-N 0 3 334.420 2.780 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275109625 474072997 /nfs/dbraw/zinc/07/29/97/474072997.db2.gz MVISZJIAZXXUPW-JQWIXIFHSA-N 0 3 345.321 2.656 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CCCN(C3CC3)CC2)cc1OC(F)F ZINC000174708862 474084226 /nfs/dbraw/zinc/08/42/26/474084226.db2.gz CJOPFRITJZWLNK-UHFFFAOYSA-N 0 3 327.331 2.871 10 5 EFBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000247206772 474087436 /nfs/dbraw/zinc/08/74/36/474087436.db2.gz LUEOEPHBISKJQC-PWSUYJOCSA-N 0 3 338.795 2.949 10 5 EFBEHN CCOc1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000175042173 474136126 /nfs/dbraw/zinc/13/61/26/474136126.db2.gz MHEASXCMXGIACK-LSDHHAIUSA-N 0 3 347.415 2.692 10 5 EFBEHN O=C(NCc1ccc2c(c1)CNC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000188679545 474163782 /nfs/dbraw/zinc/16/37/82/474163782.db2.gz YUVYWRYOXZEGDN-UHFFFAOYSA-N 0 3 331.759 2.781 10 5 EFBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000175436800 474220015 /nfs/dbraw/zinc/22/00/15/474220015.db2.gz LRVSDNNCTDAHRQ-QWHCGFSZSA-N 0 3 337.807 2.947 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000182835089 474268127 /nfs/dbraw/zinc/26/81/27/474268127.db2.gz NMVKYIIXOKHCQF-RLFYNMQTSA-N 0 3 333.432 2.617 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000275745326 474303274 /nfs/dbraw/zinc/30/32/74/474303274.db2.gz COQNXZXVYVYWCS-WCQYABFASA-N 0 3 339.823 2.969 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000275745327 474303577 /nfs/dbraw/zinc/30/35/77/474303577.db2.gz COQNXZXVYVYWCS-YPMHNXCESA-N 0 3 339.823 2.969 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265739071 474316142 /nfs/dbraw/zinc/31/61/42/474316142.db2.gz BNDIDJCPTMYDRF-CQSZACIVSA-N 0 3 333.432 2.863 10 5 EFBEHN COc1ccc([C@H]2C[C@@H](C)N(CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000176250175 474421088 /nfs/dbraw/zinc/42/10/88/474421088.db2.gz VMLAPKGGPZZRSJ-HIFRSBDPSA-N 0 3 330.388 2.678 10 5 EFBEHN CSc1cccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000249112141 474529277 /nfs/dbraw/zinc/52/92/77/474529277.db2.gz BULLGCQQHRQPKM-WCQYABFASA-N 0 3 337.445 2.775 10 5 EFBEHN C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Br)CCN1C ZINC000267283497 474636993 /nfs/dbraw/zinc/63/69/93/474636993.db2.gz VUEJAQZXMBNULD-UWVGGRQHSA-N 0 3 343.225 2.671 10 5 EFBEHN C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2Br)CCN1C ZINC000267283499 474637049 /nfs/dbraw/zinc/63/70/49/474637049.db2.gz VUEJAQZXMBNULD-VHSXEESVSA-N 0 3 343.225 2.671 10 5 EFBEHN CN1CC[C@@H]2OCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284447764 474642109 /nfs/dbraw/zinc/64/21/09/474642109.db2.gz CHFSTOPUNJVKLJ-KGLIPLIRSA-N 0 3 345.321 2.523 10 5 EFBEHN CN1CC[C@@H]2OCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284447758 474642131 /nfs/dbraw/zinc/64/21/31/474642131.db2.gz CHFSTOPUNJVKLJ-KBPBESRZSA-N 0 3 345.321 2.523 10 5 EFBEHN CS[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000291785463 474686320 /nfs/dbraw/zinc/68/63/20/474686320.db2.gz CWYGASVNYKTNPF-CABCVRRESA-N 0 3 332.429 2.625 10 5 EFBEHN CN1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000253309275 474721752 /nfs/dbraw/zinc/72/17/52/474721752.db2.gz BXUSZYOKVMWFRR-GDBMZVCRSA-N 0 3 341.371 2.557 10 5 EFBEHN O=[N+]([O-])c1ccccc1/C=C\CN1CCCC[C@@H]1CN1CCOCC1 ZINC000255121006 474806273 /nfs/dbraw/zinc/80/62/73/474806273.db2.gz MUGATZJQVJDWPK-LZCIBIBXSA-N 0 3 345.443 2.795 10 5 EFBEHN CCOCCN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000255390196 474848550 /nfs/dbraw/zinc/84/85/50/474848550.db2.gz FDHYIFWPXKNHOX-IOBAAEILSA-N 0 3 333.432 2.651 10 5 EFBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000341062853 474933959 /nfs/dbraw/zinc/93/39/59/474933959.db2.gz QHACWVISJYAAKD-HUUCEWRRSA-N 0 3 349.431 2.743 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000285379566 474996913 /nfs/dbraw/zinc/99/69/13/474996913.db2.gz CQTWAUACXZPOLV-MRXNPFEDSA-N 0 3 346.431 2.673 10 5 EFBEHN CCCN1CCC[C@@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000352378867 475233879 /nfs/dbraw/zinc/23/38/79/475233879.db2.gz MUZZLORCOSJQHQ-MRXNPFEDSA-N 0 3 348.447 2.696 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1CN(C)C ZINC000361201140 475265794 /nfs/dbraw/zinc/26/57/94/475265794.db2.gz NHJPENXUCDIYJK-WBVHZDCISA-N 0 3 333.432 2.716 10 5 EFBEHN C[C@@H]1CCC[C@H](C)N1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000609354326 480152776 /nfs/dbraw/zinc/15/27/76/480152776.db2.gz VCRXHNUWWDWABU-TXEJJXNPSA-N 0 3 345.403 2.918 10 5 EFBEHN CCO[C@@H]1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000339600729 475338049 /nfs/dbraw/zinc/33/80/49/475338049.db2.gz YZKVPPDEPJSXHZ-KWVDBSNXSA-N 0 3 342.399 2.813 10 5 EFBEHN CNC(=O)CCOC1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000352546546 475400476 /nfs/dbraw/zinc/40/04/76/475400476.db2.gz WSDKNPRRCRQHDA-AWEZNQCLSA-N 0 3 349.431 2.581 10 5 EFBEHN Cc1ccncc1CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361424424 475438717 /nfs/dbraw/zinc/43/87/17/475438717.db2.gz ZWPDVBVIPBFZSH-UHFFFAOYSA-N 0 3 328.372 2.759 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000338018797 475510318 /nfs/dbraw/zinc/51/03/18/475510318.db2.gz YYUXVBCULJIGBF-CVEARBPZSA-N 0 3 338.429 2.537 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000338018800 475510916 /nfs/dbraw/zinc/51/09/16/475510916.db2.gz YYUXVBCULJIGBF-HZPDHXFCSA-N 0 3 338.429 2.537 10 5 EFBEHN CC(=O)NC1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000342270670 475580847 /nfs/dbraw/zinc/58/08/47/475580847.db2.gz BBWVQFKAAFHEIV-UHFFFAOYSA-N 0 3 325.796 2.785 10 5 EFBEHN CNC(=O)C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000361642183 475623057 /nfs/dbraw/zinc/62/30/57/475623057.db2.gz HZWQVSMLEJKMMQ-QGZVFWFLSA-N 0 3 327.384 2.604 10 5 EFBEHN CC(C)(CNc1ccncc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000340150646 475802571 /nfs/dbraw/zinc/80/25/71/475802571.db2.gz AKRPWFTWHFMXRH-UHFFFAOYSA-N 0 3 326.400 2.661 10 5 EFBEHN Cc1ccc([C@H](CNc2ccncc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000340152345 475804306 /nfs/dbraw/zinc/80/43/06/475804306.db2.gz KQOHQIJRZYXKIM-KRWDZBQOSA-N 0 3 326.400 2.969 10 5 EFBEHN CS[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000362016273 475938294 /nfs/dbraw/zinc/93/82/94/475938294.db2.gz PKXUPCJFGFNJIL-CHWSQXEVSA-N 0 3 327.475 2.668 10 5 EFBEHN CSC1(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CCN(C)CC1 ZINC000355455039 475953532 /nfs/dbraw/zinc/95/35/32/475953532.db2.gz LBXFOAHHZHZHNG-UHFFFAOYSA-N 0 3 343.474 2.522 10 5 EFBEHN CCc1noc(C)c1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000340440089 476037306 /nfs/dbraw/zinc/03/73/06/476037306.db2.gz NXHMANNVHMBDDC-HUUCEWRRSA-N 0 3 333.392 2.924 10 5 EFBEHN CCc1noc(C)c1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000340440088 476037875 /nfs/dbraw/zinc/03/78/75/476037875.db2.gz NXHMANNVHMBDDC-GJZGRUSLSA-N 0 3 333.392 2.924 10 5 EFBEHN C[C@H]1COCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000336806896 476132417 /nfs/dbraw/zinc/13/24/17/476132417.db2.gz DFPBIZXDXYUIRN-JOYOIKCWSA-N 0 3 329.194 2.872 10 5 EFBEHN C[C@@H]1COCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000336806898 476133347 /nfs/dbraw/zinc/13/33/47/476133347.db2.gz DFPBIZXDXYUIRN-SKDRFNHKSA-N 0 3 329.194 2.872 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(CCOC(C)C)CC2)n1 ZINC000359098204 476185969 /nfs/dbraw/zinc/18/59/69/476185969.db2.gz NFFMFGJJEAKNAC-UHFFFAOYSA-N 0 3 336.436 2.908 10 5 EFBEHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCCN2Cc2ccccc2)nc1 ZINC000302167927 476191838 /nfs/dbraw/zinc/19/18/38/476191838.db2.gz SKDQZCBNZXTKMT-HNNXBMFYSA-N 0 3 327.388 2.851 10 5 EFBEHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@@H](N2CCCC2)C1 ZINC000344270901 476203635 /nfs/dbraw/zinc/20/36/35/476203635.db2.gz GGWMSBNHEFCIHH-OAHLLOKOSA-N 0 3 335.379 2.824 10 5 EFBEHN CSc1ccc([C@H](CNc2ccncc2[N+](=O)[O-])N(C)C)cc1 ZINC000338829669 476219554 /nfs/dbraw/zinc/21/95/54/476219554.db2.gz DOTNUAHZIZLHCL-HNNXBMFYSA-N 0 3 332.429 2.848 10 5 EFBEHN Cc1c(NC(=O)CCN2CCC[C@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000362447010 476258165 /nfs/dbraw/zinc/25/81/65/476258165.db2.gz JVEBWDFQAHYREY-WMLDXEAASA-N 0 3 347.415 2.733 10 5 EFBEHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1cccs1 ZINC000357218580 476293763 /nfs/dbraw/zinc/29/37/63/476293763.db2.gz HYTIKJNHGLZUHT-ABAIWWIYSA-N 0 3 348.428 2.797 10 5 EFBEHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1cccs1 ZINC000357219234 476294339 /nfs/dbraw/zinc/29/43/39/476294339.db2.gz JOZVDXKZOPMZTQ-NHYWBVRUSA-N 0 3 348.428 2.797 10 5 EFBEHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1cccs1 ZINC000357219229 476294573 /nfs/dbraw/zinc/29/45/73/476294573.db2.gz JOZVDXKZOPMZTQ-ABAIWWIYSA-N 0 3 348.428 2.797 10 5 EFBEHN O=C1C[C@H]([C@@H]2CCCCN2C/C=C/c2ccccc2[N+](=O)[O-])CN1 ZINC000360808535 476401967 /nfs/dbraw/zinc/40/19/67/476401967.db2.gz DQHDFBZDCOHPRR-MCXNIAKKSA-N 0 3 329.400 2.599 10 5 EFBEHN CCCN1CCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351633317 476486037 /nfs/dbraw/zinc/48/60/37/476486037.db2.gz XCJDZXNNWFUNLA-CQSZACIVSA-N 0 3 339.823 2.781 10 5 EFBEHN CC(C)N1CCN(c2cccc(Nc3ccncc3[N+](=O)[O-])c2)CC1 ZINC000361072263 476582611 /nfs/dbraw/zinc/58/26/11/476582611.db2.gz CMGCEQIGNZDREB-UHFFFAOYSA-N 0 3 341.415 2.686 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429829730 476698123 /nfs/dbraw/zinc/69/81/23/476698123.db2.gz OJSUMAPEEAERFR-AWEZNQCLSA-N 0 3 333.432 2.863 10 5 EFBEHN O=[N+]([O-])c1ccn(C2CCN(CCOc3ccc(F)cc3)CC2)n1 ZINC000365873014 476743715 /nfs/dbraw/zinc/74/37/15/476743715.db2.gz LGCSFPAYDPFSPG-UHFFFAOYSA-N 0 3 334.351 2.646 10 5 EFBEHN CC[C@H](Nc1ccc(N2CCNCC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000423230532 476969423 /nfs/dbraw/zinc/96/94/23/476969423.db2.gz JHGLEGRGVLLJAK-KRWDZBQOSA-N 0 3 341.415 2.963 10 5 EFBEHN Cc1ccc([C@@H](C)Nc2ccc(N3CCNCC3)cn2)cc1[N+](=O)[O-] ZINC000423233788 476971466 /nfs/dbraw/zinc/97/14/66/476971466.db2.gz OTPLLTJECXWPSF-CQSZACIVSA-N 0 3 341.415 2.881 10 5 EFBEHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCCN(c2ccncn2)C1 ZINC000370768181 476976271 /nfs/dbraw/zinc/97/62/71/476976271.db2.gz RLCQNDNQPWFFLE-WUTVXBCWSA-N 0 3 339.399 2.657 10 5 EFBEHN COCCNCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423329345 476995612 /nfs/dbraw/zinc/99/56/12/476995612.db2.gz LHQUDDLUCYMYKT-SFHVURJKSA-N 0 3 329.400 2.510 10 5 EFBEHN CC1CCC(OC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000371071658 477110666 /nfs/dbraw/zinc/11/06/66/477110666.db2.gz CWSYDGAHFPTPEY-UHFFFAOYSA-N 0 3 336.436 2.851 10 5 EFBEHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CC)C(=O)NC ZINC000453388998 477219018 /nfs/dbraw/zinc/21/90/18/477219018.db2.gz CIURQYCHNAXGDB-NEPJUHHUSA-N 0 3 325.434 2.580 10 5 EFBEHN CC(C)N(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000558000222 477836506 /nfs/dbraw/zinc/83/65/06/477836506.db2.gz QTJPBWVGQWXLJI-UHFFFAOYSA-N 0 3 336.436 2.660 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(C2CCC2)CCC1 ZINC000459771576 478084235 /nfs/dbraw/zinc/08/42/35/478084235.db2.gz NUTXUUZUGOHJSO-UHFFFAOYSA-N 0 3 333.388 2.854 10 5 EFBEHN Cc1cc(F)ccc1CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488051620 478111219 /nfs/dbraw/zinc/11/12/19/478111219.db2.gz MDVBGLIVZKJQSE-INIZCTEOSA-N 0 3 348.374 2.914 10 5 EFBEHN CCO[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000518562499 478178476 /nfs/dbraw/zinc/17/84/76/478178476.db2.gz JNDQVPVFAKSWOD-ATLSCFEFSA-N 0 3 342.399 2.787 10 5 EFBEHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCCC1 ZINC000600228413 478298572 /nfs/dbraw/zinc/29/85/72/478298572.db2.gz LSVROLFCONKOPY-INIZCTEOSA-N 0 3 331.416 2.661 10 5 EFBEHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCCC1 ZINC000600228415 478298605 /nfs/dbraw/zinc/29/86/05/478298605.db2.gz LSVROLFCONKOPY-MRXNPFEDSA-N 0 3 331.416 2.661 10 5 EFBEHN COc1cc(C(=O)NC[C@@H]2CCN2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600229094 478299138 /nfs/dbraw/zinc/29/91/38/478299138.db2.gz OZCBNUMMASWHDD-HNNXBMFYSA-N 0 3 347.415 2.740 10 5 EFBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600472189 478382740 /nfs/dbraw/zinc/38/27/40/478382740.db2.gz MZPDGXPCISQKMF-LBPRGKRZSA-N 0 3 337.807 2.995 10 5 EFBEHN C[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594510067 478418289 /nfs/dbraw/zinc/41/82/89/478418289.db2.gz OEQQMAYMLIKQNR-ZJOBFFGXSA-N 0 3 333.432 2.669 10 5 EFBEHN O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OC[C@@H]1CNCCO1 ZINC000594697949 478500700 /nfs/dbraw/zinc/50/07/00/478500700.db2.gz BGTLQKZRIWRDLU-INIZCTEOSA-N 0 3 328.368 2.553 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000597857597 478543965 /nfs/dbraw/zinc/54/39/65/478543965.db2.gz GIBRCXBZSDFUKN-NSHDSACASA-N 0 3 325.796 2.851 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597857632 478544855 /nfs/dbraw/zinc/54/48/55/478544855.db2.gz HQPXYBSEWKIRSV-HNNXBMFYSA-N 0 3 344.415 2.539 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000597858159 478545087 /nfs/dbraw/zinc/54/50/87/478545087.db2.gz KWHMUMQAOOEIJM-AWEZNQCLSA-N 0 3 346.431 2.772 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000597946314 478589796 /nfs/dbraw/zinc/58/97/96/478589796.db2.gz OCJLWWSFPROMLT-WBVHZDCISA-N 0 3 333.432 2.716 10 5 EFBEHN CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCN(C)C1 ZINC000597945065 478590966 /nfs/dbraw/zinc/59/09/66/478590966.db2.gz HKSWIBPRWAZYQU-LBPRGKRZSA-N 0 3 345.321 2.780 10 5 EFBEHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594939935 478595913 /nfs/dbraw/zinc/59/59/13/478595913.db2.gz VVMNQLCQKVGRMV-ZEGGKSINSA-N 0 3 346.305 2.901 10 5 EFBEHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594966391 478609903 /nfs/dbraw/zinc/60/99/03/478609903.db2.gz RGAAKBRPPFGCPK-DJSGYFEHSA-N 0 3 342.823 2.904 10 5 EFBEHN C[C@@H]1CCN(CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000582556043 478629342 /nfs/dbraw/zinc/62/93/42/478629342.db2.gz KJADJFQHBJTWQY-GDBMZVCRSA-N 0 3 331.416 2.643 10 5 EFBEHN CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598043781 478630670 /nfs/dbraw/zinc/63/06/70/478630670.db2.gz UZYVWCAQMJUSPL-GFCCVEGCSA-N 0 3 325.796 2.805 10 5 EFBEHN CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCN(CC)C1 ZINC000598044187 478630711 /nfs/dbraw/zinc/63/07/11/478630711.db2.gz ZJBFCBARTWSLHV-ZDUSSCGKSA-N 0 3 330.388 2.632 10 5 EFBEHN CO[C@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000595059016 478645002 /nfs/dbraw/zinc/64/50/02/478645002.db2.gz FHGHURQXRGHKPN-JCURWCKSSA-N 0 3 334.416 2.958 10 5 EFBEHN CCOc1ccc([C@H](C)NC[C@@H](OC)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000595058958 478645675 /nfs/dbraw/zinc/64/56/75/478645675.db2.gz CZHSJIDLNPSCKP-RVSPLBMKSA-N 0 3 338.404 2.696 10 5 EFBEHN C[C@@H](N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595094071 478657970 /nfs/dbraw/zinc/65/79/70/478657970.db2.gz BHEJIZWGVQZQBJ-ZTFGCOKTSA-N 0 3 345.443 2.889 10 5 EFBEHN CC[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)N1CCCC1 ZINC000601104394 478658082 /nfs/dbraw/zinc/65/80/82/478658082.db2.gz VPCZFKNWYJUZHX-VIFPVBQESA-N 0 3 335.330 2.633 10 5 EFBEHN Cc1ccc([C@H](C)NCCN2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000595099978 478659223 /nfs/dbraw/zinc/65/92/23/478659223.db2.gz HPTXILOIEOUWQN-GOEBONIOSA-N 0 3 346.431 2.844 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1C[C@@H]2CCCCN2C1=O ZINC000595104295 478662483 /nfs/dbraw/zinc/66/24/83/478662483.db2.gz OPKJBGBJPVBKCB-ZBFHGGJFSA-N 0 3 346.431 2.844 10 5 EFBEHN C[C@H](NCCN1C[C@@H]2CCCCN2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000595108011 478663018 /nfs/dbraw/zinc/66/30/18/478663018.db2.gz YSEBVDKDDOVIFA-BBRMVZONSA-N 0 3 332.404 2.536 10 5 EFBEHN C[C@@H](NCCN1C[C@H]2CCCCN2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000595108013 478663619 /nfs/dbraw/zinc/66/36/19/478663619.db2.gz YSEBVDKDDOVIFA-CZUORRHYSA-N 0 3 332.404 2.536 10 5 EFBEHN CN(Cc1ccccc1)[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601120717 478668304 /nfs/dbraw/zinc/66/83/04/478668304.db2.gz MXADGRKPOWPSTH-OAHLLOKOSA-N 0 3 330.363 2.840 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNCC[C@H](O)C(F)F)o1 ZINC000601147008 478688071 /nfs/dbraw/zinc/68/80/71/478688071.db2.gz GNIKMEUBMGSVIY-ZDUSSCGKSA-N 0 3 326.299 2.961 10 5 EFBEHN CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1CCN(C2CC2)C1 ZINC000601152517 478691097 /nfs/dbraw/zinc/69/10/97/478691097.db2.gz FGFDNRZVJKXGAF-QGZVFWFLSA-N 0 3 343.427 2.712 10 5 EFBEHN Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)ccc1[N+](=O)[O-] ZINC000595258388 478703749 /nfs/dbraw/zinc/70/37/49/478703749.db2.gz UQEZRVYALNGVNV-QGZVFWFLSA-N 0 3 341.367 2.816 10 5 EFBEHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1csc([N+](=O)[O-])c1 ZINC000595259244 478706461 /nfs/dbraw/zinc/70/64/61/478706461.db2.gz ZNXMTWDIPBDSRB-ZDUSSCGKSA-N 0 3 333.369 2.570 10 5 EFBEHN CN(C[C@H]1CCCN(C)C1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601180935 478709390 /nfs/dbraw/zinc/70/93/90/478709390.db2.gz ZWNMMNQSNIUSOF-HNNXBMFYSA-N 0 3 345.443 2.817 10 5 EFBEHN CO[C@@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000595373190 478752895 /nfs/dbraw/zinc/75/28/95/478752895.db2.gz XZTXWEHBQDDSKE-HOCLYGCPSA-N 0 3 334.420 2.681 10 5 EFBEHN COC(=O)c1cc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000564567615 478761970 /nfs/dbraw/zinc/76/19/70/478761970.db2.gz LRZDZZQWKNATGU-DGCLKSJQSA-N 0 3 333.388 2.727 10 5 EFBEHN C[C@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CN1C1CC1 ZINC000601300028 478773759 /nfs/dbraw/zinc/77/37/59/478773759.db2.gz ULVKXJNTOKWUCE-ZFWWWQNUSA-N 0 3 343.427 2.758 10 5 EFBEHN C[C@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CN1C1CC1 ZINC000601300025 478773805 /nfs/dbraw/zinc/77/38/05/478773805.db2.gz ULVKXJNTOKWUCE-DZGCQCFKSA-N 0 3 343.427 2.758 10 5 EFBEHN O=[N+]([O-])c1ccccc1CN(CCCCCO)[C@H]1CC[C@H](O)CC1 ZINC000592130339 478787905 /nfs/dbraw/zinc/78/79/05/478787905.db2.gz CTBGJAWWRUXGFM-QAQDUYKDSA-N 0 3 336.432 2.863 10 5 EFBEHN O=[N+]([O-])c1ccccc1CN(CCn1cccn1)[C@H]1CC[C@H](O)CC1 ZINC000592130288 478788898 /nfs/dbraw/zinc/78/88/98/478788898.db2.gz AGDCPXWSEWHGRB-QAQDUYKDSA-N 0 3 344.415 2.597 10 5 EFBEHN CCOc1cc(N2CCN([C@@H]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000595465090 478799616 /nfs/dbraw/zinc/79/96/16/478799616.db2.gz NUHHQWYVRVNSRB-GDBMZVCRSA-N 0 3 349.431 2.683 10 5 EFBEHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H](CO)C1CCC1 ZINC000595617991 478891824 /nfs/dbraw/zinc/89/18/24/478891824.db2.gz VUXLCQYQVSKYQL-GFCCVEGCSA-N 0 3 329.194 2.608 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCNC[C@H]3C(F)F)o2)c1 ZINC000592434499 478893774 /nfs/dbraw/zinc/89/37/74/478893774.db2.gz JERHTSGUGBSDBY-AWEZNQCLSA-N 0 3 337.326 2.894 10 5 EFBEHN CC(C)N1CC[C@H](N(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601620426 478910869 /nfs/dbraw/zinc/91/08/69/478910869.db2.gz ITWMHHUGHYRKDH-KRWDZBQOSA-N 0 3 345.443 2.958 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC3(C[C@@H]2C)CCOCC3)c1 ZINC000592525659 478931864 /nfs/dbraw/zinc/93/18/64/478931864.db2.gz CQNFORXVGCJCLT-ZDUSSCGKSA-N 0 3 348.399 2.772 10 5 EFBEHN Cc1sc(C(=O)N2CCc3ccccc3[C@@H]2CN)cc1[N+](=O)[O-] ZINC000592567550 478943282 /nfs/dbraw/zinc/94/32/82/478943282.db2.gz RDAUXZADIFLKPM-AWEZNQCLSA-N 0 3 331.397 2.663 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](Nc2ncccn2)C1 ZINC000583995167 478989884 /nfs/dbraw/zinc/98/98/84/478989884.db2.gz PCHZYYOENRYVBS-DNXIFWLFSA-N 0 3 339.399 2.975 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000601781277 479001333 /nfs/dbraw/zinc/00/13/33/479001333.db2.gz VADGVQKDFRGULQ-UHFFFAOYSA-N 0 3 343.387 2.619 10 5 EFBEHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC(F)CC1 ZINC000595820261 479015693 /nfs/dbraw/zinc/01/56/93/479015693.db2.gz UAONHERGYBNHRJ-OPFPJEHXSA-N 0 3 349.406 2.990 10 5 EFBEHN O=C(CCN1CCC(c2ccon2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595828813 479020321 /nfs/dbraw/zinc/02/03/21/479020321.db2.gz NAKJXHIWOLBZDY-UHFFFAOYSA-N 0 3 344.371 2.791 10 5 EFBEHN CCNc1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000598856180 479057668 /nfs/dbraw/zinc/05/76/68/479057668.db2.gz VHLFRCOOUCDZQT-ZDUSSCGKSA-N 0 3 334.420 2.629 10 5 EFBEHN COCC1(NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCCC1 ZINC000595911470 479066710 /nfs/dbraw/zinc/06/67/10/479066710.db2.gz XACIZFNZYWGGHT-UHFFFAOYSA-N 0 3 335.404 2.781 10 5 EFBEHN C[C@H](O)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066450 479117002 /nfs/dbraw/zinc/11/70/02/479117002.db2.gz DHHQDWUSQLJAMY-SCLBCKFNSA-N 0 3 343.383 2.635 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)[C@@H]2CCCO2)s1 ZINC000598990340 479117991 /nfs/dbraw/zinc/11/79/91/479117991.db2.gz LARJXBIYEGQSOO-HOTGVXAUSA-N 0 3 348.424 2.953 10 5 EFBEHN COC(=O)c1cccc(OCc2cccc3c2CCNC3)c1[N+](=O)[O-] ZINC000596071919 479120459 /nfs/dbraw/zinc/12/04/59/479120459.db2.gz WIBDBIYHDYJICG-UHFFFAOYSA-N 0 3 342.351 2.606 10 5 EFBEHN COc1ccc(CNC[C@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000599001189 479121692 /nfs/dbraw/zinc/12/16/92/479121692.db2.gz ZTXDBZTXTZRENL-INIZCTEOSA-N 0 3 341.367 2.520 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000599002428 479122100 /nfs/dbraw/zinc/12/21/00/479122100.db2.gz ZONJCBZLVXEOLP-WBVHZDCISA-N 0 3 329.356 2.624 10 5 EFBEHN COc1ccc(-c2ccc(CN3CC[C@@H](F)[C@H](N)C3)o2)c([N+](=O)[O-])c1 ZINC000596103135 479140839 /nfs/dbraw/zinc/14/08/39/479140839.db2.gz ATTSKEUXFCTKKK-HUUCEWRRSA-N 0 3 349.362 2.735 10 5 EFBEHN COc1cc(N2CC[C@H](N3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596106032 479142331 /nfs/dbraw/zinc/14/23/31/479142331.db2.gz SCNQVPABYMBQEF-NSHDSACASA-N 0 3 325.796 2.931 10 5 EFBEHN COC(=O)c1c(Cl)c(NC[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000596119248 479149782 /nfs/dbraw/zinc/14/97/82/479149782.db2.gz MFVWBZFUSXECKN-JTQLQIEISA-N 0 3 341.795 2.789 10 5 EFBEHN CN1C(=O)c2ccccc2[C@@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599074544 479151227 /nfs/dbraw/zinc/15/12/27/479151227.db2.gz NGBBSAIPZAHJIQ-WMZOPIPTSA-N 0 3 337.379 2.999 10 5 EFBEHN CN1CCN(CCNc2ccc3cnccc3c2[N+](=O)[O-])CC1(C)C ZINC000599074068 479151334 /nfs/dbraw/zinc/15/13/34/479151334.db2.gz KEBFOKPQRHMICR-UHFFFAOYSA-N 0 3 343.431 2.581 10 5 EFBEHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCCN(c2ncccn2)C1 ZINC000584540206 479171168 /nfs/dbraw/zinc/17/11/68/479171168.db2.gz QQKATCQRIZQPQV-CZUORRHYSA-N 0 3 339.399 2.631 10 5 EFBEHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCN1C1CCCCC1 ZINC000599128313 479171801 /nfs/dbraw/zinc/17/18/01/479171801.db2.gz WKECZLONORQWFL-CYBMUJFWSA-N 0 3 332.404 2.513 10 5 EFBEHN CCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000596167398 479175614 /nfs/dbraw/zinc/17/56/14/479175614.db2.gz GNZCWGJLDZNATR-CZUORRHYSA-N 0 3 334.420 2.782 10 5 EFBEHN CC(C)(C)C1=CCN(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596232753 479214533 /nfs/dbraw/zinc/21/45/33/479214533.db2.gz FDJVWENMNTVBSU-UHFFFAOYSA-N 0 3 346.431 2.784 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](OCCN3CCCCC3)C2)c1 ZINC000611104342 479284289 /nfs/dbraw/zinc/28/42/89/479284289.db2.gz QBJIFBOSRLDRPF-MRXNPFEDSA-N 0 3 333.432 2.984 10 5 EFBEHN O=[N+]([O-])c1ccccc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596422885 479289486 /nfs/dbraw/zinc/28/94/86/479289486.db2.gz JDWCHWXSROJZLO-MRXNPFEDSA-N 0 3 327.384 2.774 10 5 EFBEHN CC[C@H](NC(=O)N(CC)[C@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596456928 479302451 /nfs/dbraw/zinc/30/24/51/479302451.db2.gz UZOKCRWXMFILQW-HOTGVXAUSA-N 0 3 334.420 2.782 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C(F)F)C1 ZINC000611180117 479304451 /nfs/dbraw/zinc/30/44/51/479304451.db2.gz SCLNYONJYFNBFT-NSHDSACASA-N 0 3 327.331 2.819 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@]1(CO)CCCC(C)(C)C1 ZINC000599597879 479346976 /nfs/dbraw/zinc/34/69/76/479346976.db2.gz ZCQMNXPYCLDKQS-GOSISDBHSA-N 0 3 349.431 2.763 10 5 EFBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593460010 479351096 /nfs/dbraw/zinc/35/10/96/479351096.db2.gz YXNHTFMDVQFVIS-BETUJISGSA-N 0 3 337.395 2.656 10 5 EFBEHN CS[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1N(C)C ZINC000593465168 479352586 /nfs/dbraw/zinc/35/25/86/479352586.db2.gz KBSCBUPEUKVVFA-JKSUJKDBSA-N 0 3 332.429 2.625 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626951 479358995 /nfs/dbraw/zinc/35/89/95/479358995.db2.gz SUVYESQDXAOUFK-DRNSDYETSA-N 0 3 341.795 2.588 10 5 EFBEHN O=C(Nc1cccc([N+](=O)[O-])c1)C(C[C@H]1COCCO1)C(F)(F)F ZINC000596618886 479360485 /nfs/dbraw/zinc/36/04/85/479360485.db2.gz DMQRGZWAURPNMV-NWDGAFQWSA-N 0 3 348.277 2.517 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000599649565 479368333 /nfs/dbraw/zinc/36/83/33/479368333.db2.gz BNPKKYOHNYLFAW-ZACQAIPSSA-N 0 3 332.400 2.801 10 5 EFBEHN C[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)N(C)Cc1ccccc1 ZINC000587974959 479377694 /nfs/dbraw/zinc/37/76/94/479377694.db2.gz FJNMVICFWHDFRE-CYBMUJFWSA-N 0 3 344.415 2.602 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000599663473 479378123 /nfs/dbraw/zinc/37/81/23/479378123.db2.gz ZXLCPIFJLGTLEK-ZNMIVQPWSA-N 0 3 348.399 2.637 10 5 EFBEHN CCC1(N2CCOCC2)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000599670096 479381183 /nfs/dbraw/zinc/38/11/83/479381183.db2.gz RQLULGDAAZCLGB-UHFFFAOYSA-N 0 3 339.461 2.733 10 5 EFBEHN Cn1c(=O)ccc2c1CCC[C@H]2NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000593694949 479425404 /nfs/dbraw/zinc/42/54/04/479425404.db2.gz UWYUUEQPZCTUFT-BIENSFFJSA-N 0 3 339.395 2.974 10 5 EFBEHN Cc1nccc([C@@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000604472760 479522678 /nfs/dbraw/zinc/52/26/78/479522678.db2.gz GSPBLUUHMVSVQX-OAHLLOKOSA-N 0 3 342.399 2.952 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000589506113 479535090 /nfs/dbraw/zinc/53/50/90/479535090.db2.gz VTEOPNJSRJSOEJ-LSDHHAIUSA-N 0 3 348.399 2.630 10 5 EFBEHN CCO[C@H]1C[C@@H](NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000589506624 479535238 /nfs/dbraw/zinc/53/52/38/479535238.db2.gz LIJVGEADNALDKG-CVEARBPZSA-N 0 3 348.399 2.819 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@]2(C)CCCO)c1 ZINC000589516137 479536965 /nfs/dbraw/zinc/53/69/65/479536965.db2.gz HATHSXACWIOOGE-KRWDZBQOSA-N 0 3 336.388 2.508 10 5 EFBEHN CC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCCO1 ZINC000594044957 479564282 /nfs/dbraw/zinc/56/42/82/479564282.db2.gz RKUOQYQSHPQYAJ-GOEBONIOSA-N 0 3 335.404 2.779 10 5 EFBEHN CC[C@@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594044156 479564306 /nfs/dbraw/zinc/56/43/06/479564306.db2.gz PPOIYXYIXVZVSO-ZBFHGGJFSA-N 0 3 336.388 2.819 10 5 EFBEHN CN1C[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590044642 479595642 /nfs/dbraw/zinc/59/56/42/479595642.db2.gz KALJCNQOMFSRFG-XJKSGUPXSA-N 0 3 331.416 2.668 10 5 EFBEHN CC(C)NC(=O)[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597231096 479633189 /nfs/dbraw/zinc/63/31/89/479633189.db2.gz IJIIFDHXXJQTJU-KQQSKNTNSA-N 0 3 331.416 2.845 10 5 EFBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000131960124 534320259 /nfs/dbraw/zinc/32/02/59/534320259.db2.gz JWNBCBAXBXYBHZ-CQSZACIVSA-N 0 3 347.802 2.899 10 5 EFBEHN CCN1CCC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000119093989 521618740 /nfs/dbraw/zinc/61/87/40/521618740.db2.gz YVRFXPLKJNQTJR-OAHLLOKOSA-N 0 3 346.431 2.753 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245420194 521652138 /nfs/dbraw/zinc/65/21/38/521652138.db2.gz MSLJKSSWPHWULD-CJNGLKHVSA-N 0 3 334.420 2.782 10 5 EFBEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000180611260 522524229 /nfs/dbraw/zinc/52/42/29/522524229.db2.gz YJWCUCKBQBMVFL-JSGCOSHPSA-N 0 3 329.404 2.723 10 5 EFBEHN CC[C@@H](NC(=O)N1CCCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176708799 522710016 /nfs/dbraw/zinc/71/00/16/522710016.db2.gz XMUVXMTWANPUPQ-QGZVFWFLSA-N 0 3 346.431 2.926 10 5 EFBEHN COc1cccc2c1CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000193710310 524214894 /nfs/dbraw/zinc/21/48/94/524214894.db2.gz GWYWGNNIUFBCDL-GOSISDBHSA-N 0 3 342.395 2.738 10 5 EFBEHN COc1cccc2c1CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000193710295 524215886 /nfs/dbraw/zinc/21/58/86/524215886.db2.gz GWYWGNNIUFBCDL-SFHVURJKSA-N 0 3 342.395 2.738 10 5 EFBEHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccn[nH]2)CC1 ZINC000195506354 524260298 /nfs/dbraw/zinc/26/02/98/524260298.db2.gz RBTPCJNEDRBMOK-LBPRGKRZSA-N 0 3 343.387 2.525 10 5 EFBEHN C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178658936 525607681 /nfs/dbraw/zinc/60/76/81/525607681.db2.gz ZMZAXBQWCCQAFZ-ZFWWWQNUSA-N 0 3 329.404 2.648 10 5 EFBEHN C[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178658951 525676413 /nfs/dbraw/zinc/67/64/13/525676413.db2.gz ZMZAXBQWCCQAFZ-HIFRSBDPSA-N 0 3 329.404 2.648 10 5 EFBEHN C[C@@H](N[C@H]1CCCN(c2ncccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000192811104 525677794 /nfs/dbraw/zinc/67/77/94/525677794.db2.gz HKVZNLZHQZILQA-HIFRSBDPSA-N 0 3 327.388 2.704 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000075968989 526079037 /nfs/dbraw/zinc/07/90/37/526079037.db2.gz NSZLKCYHKUVCDA-MAUKXSAKSA-N 0 3 333.432 2.843 10 5 EFBEHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOc3ccc(F)cc3)C2)nc1 ZINC000118867173 527367517 /nfs/dbraw/zinc/36/75/17/527367517.db2.gz TXGQDGIEHRXVFL-CQSZACIVSA-N 0 3 346.362 2.694 10 5 EFBEHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000181165881 528330443 /nfs/dbraw/zinc/33/04/43/528330443.db2.gz PDJGEOUMZAGKPI-ZDUSSCGKSA-N 0 3 337.445 2.871 10 5 EFBEHN CC(C)Oc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000412126410 534942949 /nfs/dbraw/zinc/94/29/49/534942949.db2.gz KDYXVDNXYMHEAO-DZGCQCFKSA-N 0 3 349.431 2.937 10 5 EFBEHN CN1CCC(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000356734840 536334866 /nfs/dbraw/zinc/33/48/66/536334866.db2.gz DCEFJQCDQHUOEO-UHFFFAOYSA-N 0 3 342.193 2.638 10 5 EFBEHN COc1ccc2c(c1)CCC[C@H]2N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000350686592 536976565 /nfs/dbraw/zinc/97/65/65/536976565.db2.gz XOVARLSFFSZLQK-QGZVFWFLSA-N 0 3 330.388 2.809 10 5 EFBEHN COc1ccccc1CCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347801516 537030306 /nfs/dbraw/zinc/03/03/06/537030306.db2.gz USDRVSFGYZVYCD-UHFFFAOYSA-N 0 3 327.384 2.989 10 5 EFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCCCC1 ZINC000755095980 575540795 /nfs/dbraw/zinc/54/07/95/575540795.db2.gz CDOCXVARHYULLO-ZSMUJPCHSA-N 0 3 331.416 2.989 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000755298007 575571706 /nfs/dbraw/zinc/57/17/06/575571706.db2.gz WFYQNQWECGJMHE-QSOAKEGCSA-N 0 3 329.400 2.599 10 5 EFBEHN CC[C@@H](CN1CCCC1)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000755349872 575576986 /nfs/dbraw/zinc/57/69/86/575576986.db2.gz XNFXIFOJQKBIGJ-GRNBYLDVSA-N 0 3 331.416 2.989 10 5 EFBEHN COC(=O)/C=C/c1ccc(N[C@@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000757795573 575853107 /nfs/dbraw/zinc/85/31/07/575853107.db2.gz RCQGWAFMMOYAKE-HYNXSNSOSA-N 0 3 345.399 2.676 10 5 EFBEHN C[C@@H]1CCC[C@H](C)N1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761893876 576226406 /nfs/dbraw/zinc/22/64/06/576226406.db2.gz KRIGQJIAWKWNTI-TXEJJXNPSA-N 0 3 348.403 2.601 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H](CCO)C2CCOCC2)c1 ZINC000763465698 576378411 /nfs/dbraw/zinc/37/84/11/576378411.db2.gz CDYVBSPRCBBKIP-HNNXBMFYSA-N 0 3 328.796 2.515 10 5 EFBEHN COc1ccc(OC)c([C@@H](C)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000765844941 577082388 /nfs/dbraw/zinc/08/23/88/577082388.db2.gz LGVAVFHFHMAESP-SJKOYZFVSA-N 0 3 346.383 2.996 10 5 EFBEHN CC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000765849314 577082527 /nfs/dbraw/zinc/08/25/27/577082527.db2.gz OCXUJOZZLLJAQM-JKSUJKDBSA-N 0 3 332.404 2.719 10 5 EFBEHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC[S@@](=O)CC ZINC000768103462 577254558 /nfs/dbraw/zinc/25/45/58/577254558.db2.gz FPLAPGAPCGCTNW-GTJPDFRWSA-N 0 3 330.475 2.824 10 5 EFBEHN O=[N+]([O-])c1ccc2[nH]c(NC3CCN(C[C@H]4CCCO4)CC3)nc2c1 ZINC000774661342 581496847 /nfs/dbraw/zinc/49/68/47/581496847.db2.gz YHYVEAHDOFXFQG-CQSZACIVSA-N 0 3 345.403 2.526 10 5 EFBEHN Cc1ccc([C@@H](C)NCC[S@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850490808 1250506140 /nfs/dbraw/zinc/50/61/40/1250506140.db2.gz GZQPGVQPPHHSST-STFLBKPXSA-N 0 3 338.351 2.865 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[S@](=O)CC(F)(F)F ZINC000850494254 1250507790 /nfs/dbraw/zinc/50/77/90/1250507790.db2.gz ZVKYCZNCJYALSO-MGUXCZDKSA-N 0 3 338.351 2.865 10 5 EFBEHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(N)CC2(CCC2)C1 ZINC000851628521 1251150471 /nfs/dbraw/zinc/15/04/71/1251150471.db2.gz HHAMIEOSUKKQBE-UHFFFAOYSA-N 0 3 337.807 2.868 10 5 EFBEHN CC[C@H](NCc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC001168570843 1257746970 /nfs/dbraw/zinc/74/69/70/1257746970.db2.gz TYLGSICCHPTWIW-AWEZNQCLSA-N 0 3 346.387 2.940 10 5 EFBEHN CCOc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000785457063 1262430551 /nfs/dbraw/zinc/43/05/51/1262430551.db2.gz PKYZUNXBANCFEL-MRXNPFEDSA-N 0 3 334.347 2.956 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ncccc1C ZINC001273319053 1267155654 /nfs/dbraw/zinc/15/56/54/1267155654.db2.gz YBZPBLLDMCHKRJ-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN C/C(=C/C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000844642733 1279164145 /nfs/dbraw/zinc/16/41/45/1279164145.db2.gz KNLSWDBDEPQKED-WERPAELLSA-N 0 3 331.416 2.938 10 5 EFBEHN O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CC[C@H](C3CC3)N2)n1 ZINC000844908906 1279359235 /nfs/dbraw/zinc/35/92/35/1279359235.db2.gz JVCYZYJLBKBFLS-TZMCWYRMSA-N 0 3 343.387 2.836 10 5 EFBEHN COCc1nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])co1 ZINC000845873193 1279901180 /nfs/dbraw/zinc/90/11/80/1279901180.db2.gz BWZSTGSWWUQNLE-XPTSAGLGSA-N 0 3 338.291 2.523 10 5 EFBEHN CC([C@@H](OC(=O)[C@@H](C)c1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845875764 1279901781 /nfs/dbraw/zinc/90/17/81/1279901781.db2.gz CCADGYWLQUIBAF-FIXISWKDSA-N 0 3 335.335 2.612 10 5 EFBEHN CC([C@H](OC(=O)[C@@H](C)c1cncnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845880078 1279905029 /nfs/dbraw/zinc/90/50/29/1279905029.db2.gz KVJZLVBXRZUPDS-RWSFTLGLSA-N 0 3 333.319 2.669 10 5 EFBEHN CC([C@@H](OC(=O)[C@@H](C)c1cncnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845880076 1279905293 /nfs/dbraw/zinc/90/52/93/1279905293.db2.gz KVJZLVBXRZUPDS-FIXISWKDSA-N 0 3 333.319 2.669 10 5 EFBEHN C[C@H](NCCCN1C[C@@H](C)O[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019581 1287401365 /nfs/dbraw/zinc/40/13/65/1287401365.db2.gz WXIQZYRMUUQPPB-MJBXVCDLSA-N 0 3 339.411 2.884 10 5 EFBEHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)[C@@H]1CCCO1 ZINC000872089063 1287425491 /nfs/dbraw/zinc/42/54/91/1287425491.db2.gz YUODWOPBZOBNAI-BPNCWPANSA-N 0 3 326.418 2.507 10 5 EFBEHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)[C@H]1CCCO1 ZINC000872089067 1287425620 /nfs/dbraw/zinc/42/56/20/1287425620.db2.gz YUODWOPBZOBNAI-ZLKJLUDKSA-N 0 3 326.418 2.507 10 5 EFBEHN CC(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000846949010 1280652402 /nfs/dbraw/zinc/65/24/02/1280652402.db2.gz FOLPAQXZSQKTFM-UHFFFAOYSA-N 0 3 333.388 2.533 10 5 EFBEHN Cc1ccc(CNC[C@H](O)COCc2cccs2)cc1[N+](=O)[O-] ZINC000872231256 1287488741 /nfs/dbraw/zinc/48/87/41/1287488741.db2.gz FRBLUZGZFQUCJI-AWEZNQCLSA-N 0 3 336.413 2.632 10 5 EFBEHN C[C@@H](NCc1cccnc1-n1ccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558772 1287595202 /nfs/dbraw/zinc/59/52/02/1287595202.db2.gz NMYBYPAJQQGXAD-GFCCVEGCSA-N 0 3 338.371 2.609 10 5 EFBEHN C[C@@H](NCc1n[nH]c(-c2ccccc2)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815610896 1287633575 /nfs/dbraw/zinc/63/35/75/1287633575.db2.gz XVEAONKCJYGWKY-LLVKDONJSA-N 0 3 338.371 2.813 10 5 EFBEHN C[C@@H](NCc1nc(-c2ccccc2)n[nH]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815610896 1287633581 /nfs/dbraw/zinc/63/35/81/1287633581.db2.gz XVEAONKCJYGWKY-LLVKDONJSA-N 0 3 338.371 2.813 10 5 EFBEHN Cc1c(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000810701424 1283538100 /nfs/dbraw/zinc/53/81/00/1283538100.db2.gz RCEXVORSZIMLTB-KRWDZBQOSA-N 0 3 337.395 2.732 10 5 EFBEHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000812842271 1285468963 /nfs/dbraw/zinc/46/89/63/1285468963.db2.gz SFAZDOXHDGHZAJ-KRWDZBQOSA-N 0 3 335.379 2.696 10 5 EFBEHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000812842272 1285469039 /nfs/dbraw/zinc/46/90/39/1285469039.db2.gz SFAZDOXHDGHZAJ-QGZVFWFLSA-N 0 3 335.379 2.696 10 5 EFBEHN Cc1nn(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000747831288 1285579208 /nfs/dbraw/zinc/57/92/08/1285579208.db2.gz LVICILGUUVPLQV-HUUCEWRRSA-N 0 3 344.415 2.959 10 5 EFBEHN CC(COC(=O)C1(c2cc(F)cc(Br)c2)CC1)[N+](=O)[O-] ZINC000813105502 1285646564 /nfs/dbraw/zinc/64/65/64/1285646564.db2.gz NIWYICBBZPPAPH-MRVPVSSYSA-N 0 3 346.152 2.828 10 5 EFBEHN CC(COC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000813101908 1285651918 /nfs/dbraw/zinc/65/19/18/1285651918.db2.gz LFMNCEAHHNWJQY-LSDHHAIUSA-N 0 3 334.416 2.538 10 5 EFBEHN CC(COC(=O)COc1ccc(OCc2ccccc2)cc1)[N+](=O)[O-] ZINC000813101638 1285652519 /nfs/dbraw/zinc/65/25/19/1285652519.db2.gz FZODWTPPCDCHSR-CQSZACIVSA-N 0 3 345.351 2.853 10 5 EFBEHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1C ZINC000813110016 1285681928 /nfs/dbraw/zinc/68/19/28/1285681928.db2.gz YUBOJMISVYGXKI-ZDUSSCGKSA-N 0 3 331.372 2.955 10 5 EFBEHN CC(COC(=O)C(C)(C)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813109525 1285682662 /nfs/dbraw/zinc/68/26/62/1285682662.db2.gz KPFIBBAXKQVWOG-VIFPVBQESA-N 0 3 330.178 2.935 10 5 EFBEHN CC(COC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)[N+](=O)[O-] ZINC000813110771 1285683179 /nfs/dbraw/zinc/68/31/79/1285683179.db2.gz IYCLRJOFGXOVOF-ZCFIWIBFSA-N 0 3 341.213 2.711 10 5 EFBEHN CC(COC(=O)[C@H](c1ccccc1)N1CCc2ccccc21)[N+](=O)[O-] ZINC000813111350 1285683944 /nfs/dbraw/zinc/68/39/44/1285683944.db2.gz RONCQGVGJQJOHY-KDOFPFPSSA-N 0 3 340.379 2.999 10 5 EFBEHN CC(COC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21)[N+](=O)[O-] ZINC000813111348 1285684440 /nfs/dbraw/zinc/68/44/40/1285684440.db2.gz RONCQGVGJQJOHY-KBXCAEBGSA-N 0 3 340.379 2.999 10 5 EFBEHN CCCN(CCC)C(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114665 1285685258 /nfs/dbraw/zinc/68/52/58/1285685258.db2.gz FLSICVLGDZJYTL-CYBMUJFWSA-N 0 3 336.388 2.771 10 5 EFBEHN COc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])c(Cl)c1 ZINC000813115781 1285685696 /nfs/dbraw/zinc/68/56/96/1285685696.db2.gz ZNCDSWBWHRHGQX-SECBINFHSA-N 0 3 329.736 2.520 10 5 EFBEHN C[C@H]1CCN(CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000816845587 1288301391 /nfs/dbraw/zinc/30/13/91/1288301391.db2.gz WETWGSODYYCHCK-NSHDSACASA-N 0 3 325.796 2.548 10 5 EFBEHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cnn(-c3ccccc3)c2)cc1 ZINC000821887575 1288823497 /nfs/dbraw/zinc/82/34/97/1288823497.db2.gz QWDISEUUMHRSBH-SFHVURJKSA-N 0 3 338.367 2.604 10 5 EFBEHN COC[C@](C)(O)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000824559430 1289699108 /nfs/dbraw/zinc/69/91/08/1289699108.db2.gz UCCDSFZQZNXXAT-CYBMUJFWSA-N 0 3 337.203 2.779 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)[nH]c1C ZINC001273628209 1292720329 /nfs/dbraw/zinc/72/03/29/1292720329.db2.gz CHWPOIQARAINHN-UHFFFAOYSA-N 0 3 344.415 2.792 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883402796 1293580753 /nfs/dbraw/zinc/58/07/53/1293580753.db2.gz AEZQFUJHMQMRIE-ROCHPLJESA-N 0 3 329.400 2.599 10 5 EFBEHN CC(C)(C)n1cncc1[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001198789909 1295231168 /nfs/dbraw/zinc/23/11/68/1295231168.db2.gz APCDBTQBBDGNNA-CQSZACIVSA-N 0 3 346.435 2.622 10 5 EFBEHN Cc1c([C@@H](C)NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cccc1[N+](=O)[O-] ZINC000927041428 1296981722 /nfs/dbraw/zinc/98/17/22/1296981722.db2.gz OHQQZWIIPIRMTI-RLAWYHOSSA-N 0 3 338.429 2.662 10 5 EFBEHN Cc1ccccc1[C@@H](O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000796410533 1299443028 /nfs/dbraw/zinc/44/30/28/1299443028.db2.gz XQPLJDKSZASWLG-SFHVURJKSA-N 0 3 344.415 2.545 10 5 EFBEHN Nc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000854497222 1300592780 /nfs/dbraw/zinc/59/27/80/1300592780.db2.gz KVFQPQZTKZCMLK-UHFFFAOYSA-N 0 3 340.383 2.564 10 5 EFBEHN COc1ccc([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000859632707 1301514636 /nfs/dbraw/zinc/51/46/36/1301514636.db2.gz FVYLPQDOOHZJEP-SJCJKPOMSA-N 0 3 346.383 2.996 10 5 EFBEHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860010671 1301673845 /nfs/dbraw/zinc/67/38/45/1301673845.db2.gz GUENBNGMTAAALA-SGTLLEGYSA-N 0 3 339.395 2.961 10 5 EFBEHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H](C)N1 ZINC000862236204 1302318129 /nfs/dbraw/zinc/31/81/29/1302318129.db2.gz RIWMUYJLXPYKKQ-GXTWGEPZSA-N 0 3 327.384 2.961 10 5 EFBEHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000863033174 1302528481 /nfs/dbraw/zinc/52/84/81/1302528481.db2.gz SUNAYUHEKXTSQV-CYBMUJFWSA-N 0 3 335.379 2.789 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1COC(=O)C1CCN(C2CC2)CC1 ZINC000801873363 1311040751 /nfs/dbraw/zinc/04/07/51/1311040751.db2.gz OQPTZBFTADMWEA-UHFFFAOYSA-N 0 3 348.399 2.911 10 5 EFBEHN Cn1cc([N+](=O)[O-])c(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)n1 ZINC001162597742 1312132614 /nfs/dbraw/zinc/13/26/14/1312132614.db2.gz KDDFIVSYARHARD-RISCZKNCSA-N 0 3 335.433 2.885 10 5 EFBEHN C[C@H](N[C@H]1CCCN2CCSC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000903269699 1312525318 /nfs/dbraw/zinc/52/53/18/1312525318.db2.gz BCANERPNMCWZRP-CORIIIEPSA-N 0 3 339.436 2.964 10 5 EFBEHN CN(CCCNC(=O)C1CC(F)(F)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265825288 1316885289 /nfs/dbraw/zinc/88/52/89/1316885289.db2.gz YIYGAWLIDXJRDF-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN Cc1cc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001265831587 1316887094 /nfs/dbraw/zinc/88/70/94/1316887094.db2.gz LANVUIHVJNORGD-UHFFFAOYSA-N 0 3 331.372 2.748 10 5 EFBEHN Cc1coc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001265908135 1316909581 /nfs/dbraw/zinc/90/95/81/1316909581.db2.gz LYYKNLFSVKGUFA-UHFFFAOYSA-N 0 3 331.372 2.748 10 5 EFBEHN CCN(CCCNC(=O)c1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC001266014956 1316953677 /nfs/dbraw/zinc/95/36/77/1316953677.db2.gz OZUMIMWRVZUPDJ-UHFFFAOYSA-N 0 3 342.399 2.632 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1c(F)cccc1F ZINC001317655671 1328243674 /nfs/dbraw/zinc/24/36/74/1328243674.db2.gz WLGWBAVYSUVQFC-UHFFFAOYSA-N 0 3 349.337 2.735 10 5 EFBEHN CC(C)N(CCCNC(=O)c1ccc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001317675897 1328271753 /nfs/dbraw/zinc/27/17/53/1328271753.db2.gz MUYWEWHKNSVCLZ-UHFFFAOYSA-N 0 3 344.415 2.953 10 5 EFBEHN O=C(CC(F)(F)F)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001326786431 1330363598 /nfs/dbraw/zinc/36/35/98/1330363598.db2.gz RLKIKEYFGUQRCA-UHFFFAOYSA-N 0 3 345.321 2.676 10 5 EFBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)C1CC=CC1 ZINC001326802060 1330366033 /nfs/dbraw/zinc/36/60/33/1330366033.db2.gz OFBQLAJWODPUSI-UHFFFAOYSA-N 0 3 329.400 2.690 10 5 EFBEHN C[C@H]1COCC[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001335941888 1331418915 /nfs/dbraw/zinc/41/89/15/1331418915.db2.gz KTRCKGVLAGKJKN-JOYOIKCWSA-N 0 3 329.194 2.872 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OC[C@H]1CCN1C1CCOCC1 ZINC001344932688 1332496062 /nfs/dbraw/zinc/49/60/62/1332496062.db2.gz VLIQSRTXSDIJRX-OAHLLOKOSA-N 0 3 348.399 2.622 10 5 EFBEHN COC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001346110372 1332600530 /nfs/dbraw/zinc/60/05/30/1332600530.db2.gz PXMFCBATMMNYQJ-IAGOWNOFSA-N 0 3 334.347 2.745 10 5 EFBEHN CN1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccccc34)[C@H]2C1 ZINC001350245705 1333053094 /nfs/dbraw/zinc/05/30/94/1333053094.db2.gz KPKVQIVOZCZDOC-PXAZEXFGSA-N 0 3 340.383 2.916 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001350387645 1333072941 /nfs/dbraw/zinc/07/29/41/1333072941.db2.gz SPIWHLVGBJTWOT-MRXNPFEDSA-N 0 3 346.431 2.535 10 5 EFBEHN CNc1ccc(C(=O)N2CCN(C3CCCC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001350603226 1333102327 /nfs/dbraw/zinc/10/23/27/1333102327.db2.gz PLEFFZCZDBAUBD-CYBMUJFWSA-N 0 3 346.431 2.725 10 5 EFBEHN CC[C@@H]1C[C@H](C)CN1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481264 1334737757 /nfs/dbraw/zinc/73/77/57/1334737757.db2.gz XLVJTKUVNPDCRU-YSVLISHTSA-N 0 3 331.416 2.989 10 5 EFBEHN CC(C)[C@H]1CCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481972 1334738428 /nfs/dbraw/zinc/73/84/28/1334738428.db2.gz IVUAJHLYBZMSCH-RDJZCZTQSA-N 0 3 331.416 2.846 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC[C@H]3COCC[C@H]32)c1 ZINC000848482669 1334740433 /nfs/dbraw/zinc/74/04/33/1334740433.db2.gz SSYGXKHNZDQUDB-WMLDXEAASA-N 0 3 342.399 2.917 10 5 EFBEHN COc1ccccc1[C@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848523336 1334772181 /nfs/dbraw/zinc/77/21/81/1334772181.db2.gz AINXDLDKGPHDDT-DOTOQJQBSA-N 0 3 328.368 2.914 10 5 EFBEHN Cc1ccc(NCCCNC(=O)C2(N(C)C)CCCC2)c([N+](=O)[O-])c1 ZINC001465291015 1396666802 /nfs/dbraw/zinc/66/68/02/1396666802.db2.gz GGIMRZSXUYCKKB-UHFFFAOYSA-N 0 3 348.447 2.696 10 5 EFBEHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001468523915 1396964786 /nfs/dbraw/zinc/96/47/86/1396964786.db2.gz ZMXATZHNWJECDA-LLVKDONJSA-N 0 3 335.379 2.599 10 5 EFBEHN Cc1csc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001493534978 1398744463 /nfs/dbraw/zinc/74/44/63/1398744463.db2.gz LFRMSEBFEFCQFC-UHFFFAOYSA-N 0 3 333.413 2.827 10 5 EFBEHN CC(C)OCC(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCCC1 ZINC001495898839 1400341570 /nfs/dbraw/zinc/34/15/70/1400341570.db2.gz HQYOSPXXLYZCGL-UHFFFAOYSA-N 0 3 349.431 2.538 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001497445100 1401379678 /nfs/dbraw/zinc/37/96/78/1401379678.db2.gz PFAZSYKUUIEVTM-ZSHCYNCHSA-N 0 3 331.416 2.579 10 5 EFBEHN Cc1ccoc1CC(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001497672022 1401539160 /nfs/dbraw/zinc/53/91/60/1401539160.db2.gz DHWXODZPHMELGK-IHWYPQMZSA-N 0 3 343.383 2.501 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccco1 ZINC001498507058 1402152024 /nfs/dbraw/zinc/15/20/24/1402152024.db2.gz CEMWIXVNGRTXAK-MDZDMXLPSA-N 0 3 343.383 2.839 10 5 EFBEHN CC/C=C(/C)C(=O)N(C)CCCNCc1csc([N+](=O)[O-])c1 ZINC001498522468 1402159223 /nfs/dbraw/zinc/15/92/23/1402159223.db2.gz AIUNCJGIHJYDRX-SDQBBNPISA-N 0 3 325.434 2.951 10 5 EFBEHN CC/C=C(\C)C(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001501209213 1403493639 /nfs/dbraw/zinc/49/36/39/1403493639.db2.gz WWXPTGWVHYIBEL-HUKDTRKISA-N 0 3 343.427 2.841 10 5 EFBEHN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCCCN2C)cc1C ZINC001559296171 1415238197 /nfs/dbraw/zinc/23/81/97/1415238197.db2.gz FDHYDHIDHIHZME-CYBMUJFWSA-N 0 3 335.404 2.976 10 5 EFBEHN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(CN(C)C)ccc2C)n1 ZINC001566214547 1415535133 /nfs/dbraw/zinc/53/51/33/1415535133.db2.gz JZEWTKFGXUTPSD-UHFFFAOYSA-N 0 3 328.372 2.921 10 5 EFBEHN O=C(CCCC1CC1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001713198787 1418372517 /nfs/dbraw/zinc/37/25/17/1418372517.db2.gz IMSCRRIYUQRSOC-IYBDPMFKSA-N 0 3 331.416 2.912 10 5 EFBEHN CN(CCCN(C)C(=O)C(C)(C)F)Cc1cccc([N+](=O)[O-])c1 ZINC001724838039 1425051925 /nfs/dbraw/zinc/05/19/25/1425051925.db2.gz DKKVWYXWPOYHEP-UHFFFAOYSA-N 0 3 325.384 2.623 10 5 EFBEHN CC(COC(=O)C(C)(C)c1cccc(Br)c1)[N+](=O)[O-] ZINC000813104487 713522621 /nfs/dbraw/zinc/52/26/21/713522621.db2.gz NFJNSMQGCTWFCX-SECBINFHSA-N 0 3 330.178 2.935 10 5 EFBEHN Cc1nc(SC(F)F)sc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106410 713530302 /nfs/dbraw/zinc/53/03/02/713530302.db2.gz COTNSVHEBHREGX-YFKPBYRVSA-N 0 3 326.346 2.517 10 5 EFBEHN CC(COC(=O)C1(c2ccc(Br)cc2)CC1)[N+](=O)[O-] ZINC000813111607 713551624 /nfs/dbraw/zinc/55/16/24/713551624.db2.gz VSKRANKCVKRLAY-VIFPVBQESA-N 0 3 328.162 2.689 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C1CCCN(C2CC2)C1=O ZINC000924058683 715252322 /nfs/dbraw/zinc/25/23/22/715252322.db2.gz QALXWANUJIEODK-IUODEOHRSA-N 0 3 346.383 2.908 10 5 EFBEHN C[C@H](OC(=O)C1CCCN(C2CC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000924059874 715275172 /nfs/dbraw/zinc/27/51/72/715275172.db2.gz WOPNVTFDWQQBES-FZMZJTMJSA-N 0 3 332.356 2.600 10 5 EFBEHN CC[C@@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893449129 715519363 /nfs/dbraw/zinc/51/93/63/715519363.db2.gz FMWXASHASQZIMG-HZPDHXFCSA-N 0 3 334.420 2.782 10 5 EFBEHN C[C@@H]1COCC[C@@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC000311533900 718751227 /nfs/dbraw/zinc/75/12/27/718751227.db2.gz YOZNASXUQJJONW-KOLCDFICSA-N 0 3 329.194 2.872 10 5 EFBEHN C/C(=C/C(=O)N[C@]1(C)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000892781192 719164610 /nfs/dbraw/zinc/16/46/10/719164610.db2.gz WOPVAVJVBQBYES-FWFZHJKVSA-N 0 3 329.400 2.599 10 5 EFBEHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC([C@@H]2COC(=O)N2)CC1 ZINC000897021709 723953671 /nfs/dbraw/zinc/95/36/71/723953671.db2.gz ACPVACOPBFGKOT-GQPJMJRUSA-N 0 3 345.399 2.819 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000912284356 727687948 /nfs/dbraw/zinc/68/79/48/727687948.db2.gz PXFJJRVSPHCXNE-SNVBAGLBSA-N 0 3 343.786 2.990 10 5 EFBEHN CCCN1CCC[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385552 727830970 /nfs/dbraw/zinc/83/09/70/727830970.db2.gz ABSGLENHJYBSBZ-GFCCVEGCSA-N 0 3 343.786 2.878 10 5 EFBEHN CC(C)[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)N(C)C ZINC000913385372 727830973 /nfs/dbraw/zinc/83/09/73/727830973.db2.gz YUUBSCLETSHLRX-ZDUSSCGKSA-N 0 3 331.775 2.590 10 5 EFBEHN CC1(CNC(=O)C2CC2)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001569696287 1085527185 /nfs/dbraw/zinc/52/71/85/1085527185.db2.gz AQDGRSXPRNSJEU-UHFFFAOYSA-N 0 3 331.416 2.723 10 5 EFBEHN CN(CCCN(C)C(=O)CC(C)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001570207643 1086052150 /nfs/dbraw/zinc/05/21/50/1086052150.db2.gz XWNGIJASDXVKBP-UHFFFAOYSA-N 0 3 343.374 2.920 10 5 EFBEHN C[C@@H](NCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC001648276864 1089970439 /nfs/dbraw/zinc/97/04/39/1089970439.db2.gz AVEPTCBKAHAOLV-GFCCVEGCSA-N 0 3 339.351 2.542 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCc1ccccc1 ZINC001267461086 1094578452 /nfs/dbraw/zinc/57/84/52/1094578452.db2.gz ZQLJJKFNWFGQBS-UHFFFAOYSA-N 0 3 341.411 2.776 10 5 EFBEHN CCc1[nH]ccc1C(=O)N(CC)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001268447943 1096603808 /nfs/dbraw/zinc/60/38/08/1096603808.db2.gz FQJKALTZRITBMU-UHFFFAOYSA-N 0 3 344.415 2.737 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC001268510765 1097089303 /nfs/dbraw/zinc/08/93/03/1097089303.db2.gz OQRSNOTVUIJDSE-OWOJBTEDSA-N 0 3 331.397 2.732 10 5 EFBEHN CC(C)N1CCN(c2cccc(Nc3nn(C)cc3[N+](=O)[O-])c2)CC1 ZINC001612217553 1099047247 /nfs/dbraw/zinc/04/72/47/1099047247.db2.gz BWDVAFSYPMCJMT-UHFFFAOYSA-N 0 3 344.419 2.602 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CCc1cccs1 ZINC001481314155 1099236825 /nfs/dbraw/zinc/23/68/25/1099236825.db2.gz FOYMIMUNHXDIBJ-UHFFFAOYSA-N 0 3 347.440 2.837 10 5 EFBEHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccco1 ZINC001622155525 1099483459 /nfs/dbraw/zinc/48/34/59/1099483459.db2.gz KMURLYQJSYGJSR-UHFFFAOYSA-N 0 3 349.362 2.839 10 5 EFBEHN CC(C)N1CCC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001624762358 1099728193 /nfs/dbraw/zinc/72/81/93/1099728193.db2.gz ZUFVBTRBURLDOP-ZDUSSCGKSA-N 0 3 330.388 2.679 10 5 EFBEHN CN(C)Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001626394016 1099868748 /nfs/dbraw/zinc/86/87/48/1099868748.db2.gz BRMXFLNTSXHRGY-UHFFFAOYSA-N 0 3 331.347 2.977 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC001629345224 1100201633 /nfs/dbraw/zinc/20/16/33/1100201633.db2.gz REBZXDKUAASPCO-CQSZACIVSA-N 0 3 347.415 2.694 10 5 EFBEHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN[C@H](c2ccccc2)C1 ZINC001640437809 1101046809 /nfs/dbraw/zinc/04/68/09/1101046809.db2.gz ADXYMMIEUZSXQZ-ZDUSSCGKSA-N 0 3 328.328 2.654 10 5 EFBEHN CO[C@H](CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC001641506073 1101142003 /nfs/dbraw/zinc/14/20/03/1101142003.db2.gz OAKAJCDQYIMTJM-GOSISDBHSA-N 0 3 333.432 2.922 10 5 EFBEHN CN(CCCC(=O)OC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001656392383 1102046407 /nfs/dbraw/zinc/04/64/07/1102046407.db2.gz VPIHHKAFDBPNOL-HNNXBMFYSA-N 0 3 338.404 2.682 10 5 EFBEHN CCN1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C ZINC001657825768 1102412882 /nfs/dbraw/zinc/41/28/82/1102412882.db2.gz NOQLDKXAUCYZEW-NSHDSACASA-N 0 3 342.237 2.883 10 5 EFBEHN Cc1cccnc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001660094082 1102595999 /nfs/dbraw/zinc/59/59/99/1102595999.db2.gz AYXKWFJSZGBCGS-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN O=C(/C=C/c1ccco1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001661560987 1103321374 /nfs/dbraw/zinc/32/13/74/1103321374.db2.gz AVIZVYJZIHDLGK-LAELXIFRSA-N 0 3 341.367 2.638 10 5 EFBEHN Cc1nscc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001483461296 1103759090 /nfs/dbraw/zinc/75/90/90/1103759090.db2.gz KYGGSLHSWJLEKJ-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCCN1CCCCC1 ZINC000906170927 1103976930 /nfs/dbraw/zinc/97/69/30/1103976930.db2.gz OHNYJJUTYSFCKT-UHFFFAOYSA-N 0 3 339.823 2.783 10 5 EFBEHN Cc1ccc(F)c(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001664208620 1104317024 /nfs/dbraw/zinc/31/70/24/1104317024.db2.gz QOOSUZFYDWUYAI-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN Cc1ccc(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001668691767 1105350736 /nfs/dbraw/zinc/35/07/36/1105350736.db2.gz RRFYHSLOTZELLR-IHWYPQMZSA-N 0 3 329.356 2.572 10 5 EFBEHN Cc1ccoc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001670017934 1105569900 /nfs/dbraw/zinc/56/99/00/1105569900.db2.gz PQXCQXCGJJOECF-UHFFFAOYSA-N 0 3 331.372 2.748 10 5 EFBEHN CN(CCCN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1cccc([N+](=O)[O-])c1 ZINC001673462075 1106028551 /nfs/dbraw/zinc/02/85/51/1106028551.db2.gz APJUAIIVODADNI-FVQHAEBGSA-N 0 3 345.443 2.921 10 5 EFBEHN O=C(CC1CCC1)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001484628347 1113077580 /nfs/dbraw/zinc/07/75/80/1113077580.db2.gz GTCBNNFXQFDDLS-UHFFFAOYSA-N 0 3 331.416 2.914 10 5 EFBEHN CN(C)C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000052554917 214133893 /nfs/dbraw/zinc/13/38/93/214133893.db2.gz VLNPWTSGLXXMQE-MRXNPFEDSA-N 0 3 327.384 2.556 10 5 EFBEHN CN1CCC[C@@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000067447139 215146837 /nfs/dbraw/zinc/14/68/37/215146837.db2.gz YCBJANBVJPSOBJ-AWEZNQCLSA-N 0 3 349.434 2.753 10 5 EFBEHN O=[N+]([O-])c1ccc(CNCC2CCOCC2)c(Br)c1 ZINC000104199756 219360094 /nfs/dbraw/zinc/36/00/94/219360094.db2.gz RNODKWKUXCGQGO-UHFFFAOYSA-N 0 3 329.194 2.874 10 5 EFBEHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037040268 213131380 /nfs/dbraw/zinc/13/13/80/213131380.db2.gz WSIKXSGUDVDUJC-HQJQHLMTSA-N 0 3 330.182 2.669 10 5 EFBEHN O=C([C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000353564678 296014545 /nfs/dbraw/zinc/01/45/45/296014545.db2.gz DJUBUSYGYQFYKA-CTEOGUNLSA-N 0 3 343.427 2.942 10 5 EFBEHN O=C(CN1C[C@@H]2CCCC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177574033 239384067 /nfs/dbraw/zinc/38/40/67/239384067.db2.gz RJZMERXJQNDNDF-GJZGRUSLSA-N 0 3 329.400 2.606 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000412136981 243162439 /nfs/dbraw/zinc/16/24/39/243162439.db2.gz VQZZLWYIUKZOAZ-ISWURRPUSA-N 0 3 331.416 2.639 10 5 EFBEHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc3cncn3c2)n1 ZINC000414188233 244037698 /nfs/dbraw/zinc/03/76/98/244037698.db2.gz QHEKQOQEMNZLQK-HZPDHXFCSA-N 0 3 340.387 2.713 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCCN1C ZINC000421711124 246076071 /nfs/dbraw/zinc/07/60/71/246076071.db2.gz NSRBGKOBIHWEEP-GFCCVEGCSA-N 0 3 325.796 2.723 10 5 EFBEHN CC[C@@H](NC(=O)N(C)C[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000422194309 246294257 /nfs/dbraw/zinc/29/42/57/246294257.db2.gz YQHMWZWZROQSBT-HZPDHXFCSA-N 0 3 334.420 2.782 10 5 EFBEHN CO[C@H]1C[C@H]2C[C@@H](NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]2C1 ZINC000425332200 247046327 /nfs/dbraw/zinc/04/63/27/247046327.db2.gz CNXMEAGFTSYPML-CFKGFHPTSA-N 0 3 330.388 2.764 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCC[C@H]3O)cs2)c1 ZINC000266136191 248122823 /nfs/dbraw/zinc/12/28/23/248122823.db2.gz FTSXEHJQXKVNPT-SWLSCSKDSA-N 0 3 333.413 2.969 10 5 EFBEHN CC[C@H](NC(=O)NC[C@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090560572 217939812 /nfs/dbraw/zinc/93/98/12/217939812.db2.gz ZBPRTJDHTDCPIU-LRDDRELGSA-N 0 3 334.420 2.828 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000092670769 218157207 /nfs/dbraw/zinc/15/72/07/218157207.db2.gz ILLVOJXXUQLLEL-LLVKDONJSA-N 0 3 343.225 2.673 10 5 EFBEHN COC[C@@](C)(O)CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449383304 251004057 /nfs/dbraw/zinc/00/40/57/251004057.db2.gz GKNXCQNYJXHNBS-KRWDZBQOSA-N 0 3 334.372 2.732 10 5 EFBEHN COC[C@@](C)(O)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449382612 251004743 /nfs/dbraw/zinc/00/47/43/251004743.db2.gz CWYXCFYFKWILFT-KRWDZBQOSA-N 0 3 334.372 2.732 10 5 EFBEHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])nc1 ZINC000450375488 251365287 /nfs/dbraw/zinc/36/52/87/251365287.db2.gz DUVOEAXQDIRCHV-UHFFFAOYSA-N 0 3 336.342 2.836 10 5 EFBEHN COc1ccc(CNC[C@@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000132177824 533670794 /nfs/dbraw/zinc/67/07/94/533670794.db2.gz FFJRJUSCRYNNLT-SFHVURJKSA-N 0 3 328.368 2.527 10 5 EFBEHN CN(c1ccc([N+](=O)[O-])nc1)C1CCN(CCc2ccccn2)CC1 ZINC000344430400 142015490 /nfs/dbraw/zinc/01/54/90/142015490.db2.gz KAPLROWRVYEPQW-UHFFFAOYSA-N 0 3 341.415 2.528 10 5 EFBEHN CCOc1ccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344639785 142053555 /nfs/dbraw/zinc/05/35/55/142053555.db2.gz HDBLHSZIEVJQIN-MRXNPFEDSA-N 0 3 349.431 2.844 10 5 EFBEHN CC(C)c1ccc(CN[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000341278169 145024888 /nfs/dbraw/zinc/02/48/88/145024888.db2.gz UTRZGINPKBDZBD-RHSMWYFYSA-N 0 3 338.448 2.966 10 5 EFBEHN Cc1cc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)ccc1[N+](=O)[O-] ZINC000342122158 145065724 /nfs/dbraw/zinc/06/57/24/145065724.db2.gz NJJGUDXYJQICHI-QGZVFWFLSA-N 0 3 341.411 2.806 10 5 EFBEHN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000342166532 145073873 /nfs/dbraw/zinc/07/38/73/145073873.db2.gz ZEARABZGGLNIJV-QGZVFWFLSA-N 0 3 341.411 2.806 10 5 EFBEHN CCCN1CCC[C@@H]1CNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000343558894 145237583 /nfs/dbraw/zinc/23/75/83/145237583.db2.gz CULRCOOBUVLWHM-CQSZACIVSA-N 0 3 335.404 2.598 10 5 EFBEHN CC(C)(C)[C@H]1CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348423521 145945264 /nfs/dbraw/zinc/94/52/64/145945264.db2.gz VGKMVTWUZFECCE-LSDHHAIUSA-N 0 3 340.445 2.783 10 5 EFBEHN O=[N+]([O-])c1cnccc1NCC1(N2CCSCC2)CCCCC1 ZINC000351821925 146210955 /nfs/dbraw/zinc/21/09/55/146210955.db2.gz LBJIRHGODITETF-UHFFFAOYSA-N 0 3 336.461 2.575 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](Cc3ccncc3)C2)c1 ZINC000360344692 148336246 /nfs/dbraw/zinc/33/62/46/148336246.db2.gz OJAXJCNOEGBGOP-MRXNPFEDSA-N 0 3 327.384 2.933 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](Cc3ccncc3)C2)c1 ZINC000368151210 150051277 /nfs/dbraw/zinc/05/12/77/150051277.db2.gz ZHHFHCKZOPOUJL-QAPCUYQASA-N 0 3 327.384 2.588 10 5 EFBEHN O=C(CCN1CCC(c2c[nH]cn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000374202106 151300843 /nfs/dbraw/zinc/30/08/43/151300843.db2.gz ZICOGSWSNZUGSL-UHFFFAOYSA-N 0 3 343.387 2.526 10 5 EFBEHN CSc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123114982 222218450 /nfs/dbraw/zinc/21/84/50/222218450.db2.gz GHLJXRPZVJUPOA-DGCLKSJQSA-N 0 3 337.445 2.871 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123152309 222224661 /nfs/dbraw/zinc/22/46/61/222224661.db2.gz BUXVFZHZXSBZBH-NEPJUHHUSA-N 0 3 336.392 2.550 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000123152506 222225237 /nfs/dbraw/zinc/22/52/37/222225237.db2.gz BUXVFZHZXSBZBH-RYUDHWBXSA-N 0 3 336.392 2.550 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000123746554 222326594 /nfs/dbraw/zinc/32/65/94/222326594.db2.gz IEOQQJKOBVAWKI-QWRGUYRKSA-N 0 3 325.796 2.803 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123490987 222285515 /nfs/dbraw/zinc/28/55/15/222285515.db2.gz CTXDEJQGMJVWLA-ZDUSSCGKSA-N 0 3 342.399 2.747 10 5 EFBEHN COc1ccc(NC(=O)NCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000272761430 266374511 /nfs/dbraw/zinc/37/45/11/266374511.db2.gz ALTIWTNLPXRDEX-LBPRGKRZSA-N 0 3 336.392 2.599 10 5 EFBEHN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000277514580 267189397 /nfs/dbraw/zinc/18/93/97/267189397.db2.gz DXSDSDYZKWBKKP-GOEBONIOSA-N 0 3 343.431 2.956 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)c(CNC2CCN(c3cccnn3)CC2)c1 ZINC000277765648 267257359 /nfs/dbraw/zinc/25/73/59/267257359.db2.gz XMQGQIJPNIZBIN-UHFFFAOYSA-N 0 3 347.806 2.797 10 5 EFBEHN C[C@H](N[C@@H]1CCOC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277839755 267276542 /nfs/dbraw/zinc/27/65/42/267276542.db2.gz LXHIKNXEGUPPHP-OUJBWJOFSA-N 0 3 341.795 2.590 10 5 EFBEHN CC(=O)N1CCC[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000279925227 273270205 /nfs/dbraw/zinc/27/02/05/273270205.db2.gz XRRRQUKOGCCNNB-LBPRGKRZSA-N 0 3 325.796 2.596 10 5 EFBEHN CCOC(=O)[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000280836777 273372210 /nfs/dbraw/zinc/37/22/10/273372210.db2.gz XSZHNTORXVJFTL-OCCSQVGLSA-N 0 3 336.388 2.815 10 5 EFBEHN C[C@H](NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000283400917 273711103 /nfs/dbraw/zinc/71/11/03/273711103.db2.gz QHCIREKTZJUNKZ-LXZKKBNFSA-N 0 3 334.416 2.813 10 5 EFBEHN C[C@@H]1C[C@@H](C)[C@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000355789552 274385119 /nfs/dbraw/zinc/38/51/19/274385119.db2.gz XIEGERBGVNEKTO-MCIONIFRSA-N 0 3 331.416 2.850 10 5 EFBEHN O=[N+]([O-])c1ccc(CN2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000193851777 275035335 /nfs/dbraw/zinc/03/53/35/275035335.db2.gz PWMUIVSQGDWUHV-UHFFFAOYSA-N 0 3 331.332 2.606 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](NCCCOCCO)c2ccccc2)c1 ZINC000180246504 280373002 /nfs/dbraw/zinc/37/30/02/280373002.db2.gz GYJCHAWXJFWFSO-GOSISDBHSA-N 0 3 330.384 2.673 10 5 EFBEHN CN1CC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000192766075 290226622 /nfs/dbraw/zinc/22/66/22/290226622.db2.gz GFHSFFFAEQDJFH-RDJZCZTQSA-N 0 3 340.383 2.551 10 5 EFBEHN C[C@H](c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000095408320 290242356 /nfs/dbraw/zinc/24/23/56/290242356.db2.gz SKKGQUCOPJQIFZ-CQSZACIVSA-N 0 3 331.416 2.990 10 5 EFBEHN CO[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290636653 294142144 /nfs/dbraw/zinc/14/21/44/294142144.db2.gz VNMJDJRPURCZPC-KXUCPTDWSA-N 0 3 329.784 2.588 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294543521 295183709 /nfs/dbraw/zinc/18/37/09/295183709.db2.gz QKOFBLXMNKXGQL-AWEZNQCLSA-N 0 3 347.415 2.548 10 5 EFBEHN C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295358634 295306330 /nfs/dbraw/zinc/30/63/30/295306330.db2.gz NVMDFWNZVLNBDJ-SJCJKPOMSA-N 0 3 337.395 2.985 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC3(CCC(O)CC3)CC2)c1 ZINC000295776228 295374298 /nfs/dbraw/zinc/37/42/98/295374298.db2.gz TUXYWLIPWQSMLP-KRWDZBQOSA-N 0 3 334.416 2.645 10 5 EFBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299002387 311040983 /nfs/dbraw/zinc/04/09/83/311040983.db2.gz QFAFNFCTPSABJH-CYBMUJFWSA-N 0 3 333.413 2.559 10 5 EFBEHN COC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000299723462 311114190 /nfs/dbraw/zinc/11/41/90/311114190.db2.gz SZCLDNXCEBLJBO-MRXNPFEDSA-N 0 3 343.383 2.901 10 5 EFBEHN Cc1sc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330663211 311327517 /nfs/dbraw/zinc/32/75/17/311327517.db2.gz STOPUYSJJWXTGO-GHMZBOCLSA-N 0 3 325.434 2.815 10 5 EFBEHN Cc1ccc([C@H](C)NC(=O)NC[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000417818187 312274671 /nfs/dbraw/zinc/27/46/71/312274671.db2.gz AQNDBILGRQCIAR-BBRMVZONSA-N 0 3 342.399 2.963 10 5 EFBEHN CC1(C)C[C@@H](N[C@H]2CNCCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000423489719 312423788 /nfs/dbraw/zinc/42/37/88/312423788.db2.gz WXWFJFCULHRDMH-KGLIPLIRSA-N 0 3 325.359 2.904 10 5 EFBEHN C[C@H](NC[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453236822 312883076 /nfs/dbraw/zinc/88/30/76/312883076.db2.gz OHRDFLQXNMRVRF-GXTWGEPZSA-N 0 3 346.408 2.817 10 5 EFBEHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531633742 317294103 /nfs/dbraw/zinc/29/41/03/317294103.db2.gz IXIAWFBNWXEAMG-QGZVFWFLSA-N 0 3 340.383 2.557 10 5 EFBEHN CCN(C[C@H]1CCCN1CC)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000548125646 318076362 /nfs/dbraw/zinc/07/63/62/318076362.db2.gz ARPREAONFNRUBZ-OAHLLOKOSA-N 0 3 348.447 2.730 10 5 EFBEHN CS[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000548691764 318133180 /nfs/dbraw/zinc/13/31/80/318133180.db2.gz PMFUIMLTVVWWCL-KBPBESRZSA-N 0 3 336.461 2.623 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCNC[C@@H]3C(F)F)o2)cc1 ZINC000565539810 318980697 /nfs/dbraw/zinc/98/06/97/318980697.db2.gz UKCJMYRBLDBQSO-CQSZACIVSA-N 0 3 337.326 2.894 10 5 EFBEHN NC[C@@H]1c2ccccc2CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000570096748 319443844 /nfs/dbraw/zinc/44/38/44/319443844.db2.gz QBSQLNDWXGQMNW-GOSISDBHSA-N 0 3 339.395 2.612 10 5 EFBEHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCOc1ccc2c(c1)OCO2 ZINC000582796147 324673928 /nfs/dbraw/zinc/67/39/28/324673928.db2.gz KSWXKMVDXLFMMX-HNNXBMFYSA-N 0 3 342.351 2.979 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000124515186 473254414 /nfs/dbraw/zinc/25/44/14/473254414.db2.gz CHCQVIIJJAZKRD-QWRGUYRKSA-N 0 3 325.796 2.803 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000124572647 473265890 /nfs/dbraw/zinc/26/58/90/473265890.db2.gz YNDLMYCBWJDULQ-CMPLNLGQSA-N 0 3 325.796 2.803 10 5 EFBEHN Cc1cc(N2CC[C@H](CN(C)Cc3cccnc3)C2)ncc1[N+](=O)[O-] ZINC000190449954 473278732 /nfs/dbraw/zinc/27/87/32/473278732.db2.gz UCXHTYWPNDGFQD-MRXNPFEDSA-N 0 3 341.415 2.652 10 5 EFBEHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190450535 473278759 /nfs/dbraw/zinc/27/87/59/473278759.db2.gz CJZUWXZYXMGKHO-INIZCTEOSA-N 0 3 341.415 2.652 10 5 EFBEHN Cc1nc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190450018 473278833 /nfs/dbraw/zinc/27/88/33/473278833.db2.gz XSFRVFAAGZUHTP-INIZCTEOSA-N 0 3 341.415 2.652 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000176976366 473279142 /nfs/dbraw/zinc/27/91/42/473279142.db2.gz YJCSAPSDFYSSGH-CYBMUJFWSA-N 0 3 337.445 2.873 10 5 EFBEHN Cc1nc(N2CC[C@H](CN(C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190449998 473279483 /nfs/dbraw/zinc/27/94/83/473279483.db2.gz XSFRVFAAGZUHTP-MRXNPFEDSA-N 0 3 341.415 2.652 10 5 EFBEHN CCc1nc(C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000190704556 473367635 /nfs/dbraw/zinc/36/76/35/473367635.db2.gz VPUGSAQGZCTJME-UHFFFAOYSA-N 0 3 345.403 2.534 10 5 EFBEHN CCc1n[nH]c(C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000190704556 473367641 /nfs/dbraw/zinc/36/76/41/473367641.db2.gz VPUGSAQGZCTJME-UHFFFAOYSA-N 0 3 345.403 2.534 10 5 EFBEHN CN(C)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 ZINC000005392991 471503353 /nfs/dbraw/zinc/50/33/53/471503353.db2.gz DCJKONNQRWODKV-UHFFFAOYSA-N 0 3 328.437 2.881 10 5 EFBEHN CN(C)CCNC(=O)c1cccc2nc3ccc4cccnc4c3nc21 ZINC000005808523 471521128 /nfs/dbraw/zinc/52/11/28/471521128.db2.gz GLMWMMUYBHLEFZ-UHFFFAOYSA-N 0 3 345.406 2.623 10 5 EFBEHN CN(CCc1ccc(F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000055024407 472131895 /nfs/dbraw/zinc/13/18/95/472131895.db2.gz PCXXOOJRTRPMCJ-KRWDZBQOSA-N 0 3 348.374 2.648 10 5 EFBEHN CN(C)CCN1C(=O)c2cccc3cc4cccc(N)c4c(c32)C1=O ZINC000027555292 472181237 /nfs/dbraw/zinc/18/12/37/472181237.db2.gz KJDQEAYPSNOTSK-UHFFFAOYSA-N 0 3 333.391 2.733 10 5 EFBEHN CC(C)N1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000068777345 472240471 /nfs/dbraw/zinc/24/04/71/472240471.db2.gz SRWGAKHZMMOORA-UHFFFAOYSA-N 0 3 330.388 2.632 10 5 EFBEHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000069811439 472438379 /nfs/dbraw/zinc/43/83/79/472438379.db2.gz DVZMWBIYIBUAMI-UHFFFAOYSA-N 0 3 342.399 2.502 10 5 EFBEHN Cc1c(C(=O)N(CCN(C)C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000069894357 472460526 /nfs/dbraw/zinc/46/05/26/472460526.db2.gz JAZSRQMSLQHJCK-UHFFFAOYSA-N 0 3 342.399 2.502 10 5 EFBEHN Cc1c(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cccc1[N+](=O)[O-] ZINC000155306586 472531778 /nfs/dbraw/zinc/53/17/78/472531778.db2.gz HOMBZYAWJJWTNP-INIZCTEOSA-N 0 3 341.411 2.806 10 5 EFBEHN CCc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000101354043 472531973 /nfs/dbraw/zinc/53/19/73/472531973.db2.gz VIPBVWOVKUYUIK-OAHLLOKOSA-N 0 3 330.388 2.635 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H](N3CC=CC3)C2)c1 ZINC000101913507 472557315 /nfs/dbraw/zinc/55/73/15/472557315.db2.gz SAIRGCGEPQAIMR-AWEZNQCLSA-N 0 3 339.342 2.642 10 5 EFBEHN CC(C)N1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000155632153 472584788 /nfs/dbraw/zinc/58/47/88/472584788.db2.gz FDHLZTJTCKRDQY-WFASDCNBSA-N 0 3 337.445 2.532 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000155675807 472593438 /nfs/dbraw/zinc/59/34/38/472593438.db2.gz OVOMCVSNTXARIM-MFKMUULPSA-N 0 3 325.796 2.707 10 5 EFBEHN Cc1nc2n(n1)CCC[C@@H]2N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090224250 472609620 /nfs/dbraw/zinc/60/96/20/472609620.db2.gz MVAKXBFODJFOOC-JKSUJKDBSA-N 0 3 341.415 2.941 10 5 EFBEHN CCOc1ccc(C(=O)NCCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000046859435 472610829 /nfs/dbraw/zinc/61/08/29/472610829.db2.gz QMOMFYMDLNUFJA-CYBMUJFWSA-N 0 3 335.404 2.598 10 5 EFBEHN COc1c(C)cc(CN(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1C ZINC000090524696 472630514 /nfs/dbraw/zinc/63/05/14/472630514.db2.gz IPHBUEXMCAPTJC-UHFFFAOYSA-N 0 3 345.399 2.514 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047142690 472659522 /nfs/dbraw/zinc/65/95/22/472659522.db2.gz HTYYMXAENZNWFT-NSHDSACASA-N 0 3 325.796 2.852 10 5 EFBEHN CN(C)C[C@H]1CCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104413524 472671211 /nfs/dbraw/zinc/67/12/11/472671211.db2.gz PLDPQRZZTZLOAF-CYBMUJFWSA-N 0 3 330.388 2.632 10 5 EFBEHN C[C@H](N[C@@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000105802159 472777134 /nfs/dbraw/zinc/77/71/34/472777134.db2.gz MWUHTRGPVVTWMX-DZGCQCFKSA-N 0 3 327.388 2.704 10 5 EFBEHN Cc1cnn([C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000105901547 472806731 /nfs/dbraw/zinc/80/67/31/472806731.db2.gz PSRACASEIAJMII-HNNXBMFYSA-N 0 3 330.388 2.816 10 5 EFBEHN COC(=O)/C=C/c1ccc(N[C@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133533990 472815823 /nfs/dbraw/zinc/81/58/23/472815823.db2.gz OJVWFEQSXABDOP-OWZHMFJBSA-N 0 3 345.399 2.818 10 5 EFBEHN Cc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000121901453 472940662 /nfs/dbraw/zinc/94/06/62/472940662.db2.gz OJJMCJJKMILBNG-QGZVFWFLSA-N 0 3 327.384 2.936 10 5 EFBEHN Cc1nc(Nc2cnn(CCN3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000092978286 473016602 /nfs/dbraw/zinc/01/66/02/473016602.db2.gz AIYCECVWYAWSCV-UHFFFAOYSA-N 0 3 330.392 2.724 10 5 EFBEHN Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000052555167 473123731 /nfs/dbraw/zinc/12/37/31/473123731.db2.gz HFPWSSAIYGWTGK-MRXNPFEDSA-N 0 3 327.384 2.936 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000110351028 473153807 /nfs/dbraw/zinc/15/38/07/473153807.db2.gz IHXKUXBBPLTWCH-ZDUSSCGKSA-N 0 3 342.399 2.549 10 5 EFBEHN C[C@@]1(CNc2ncc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000160806259 473177746 /nfs/dbraw/zinc/17/77/46/473177746.db2.gz VZQRHBXGRYHPJE-KRWDZBQOSA-N 0 3 327.388 2.851 10 5 EFBEHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000136890677 473183687 /nfs/dbraw/zinc/18/36/87/473183687.db2.gz SCIMCURMUISLJS-LRDDRELGSA-N 0 3 344.367 2.750 10 5 EFBEHN CC[C@H](NC(=O)N(C)CCN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000185510556 473446589 /nfs/dbraw/zinc/44/65/89/473446589.db2.gz DMEZXURKIXKEAS-INIZCTEOSA-N 0 3 334.420 2.782 10 5 EFBEHN CC(C)C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)C ZINC000114376582 473457503 /nfs/dbraw/zinc/45/75/03/473457503.db2.gz SAYWJJLFZGXBNF-CYBMUJFWSA-N 0 3 332.404 2.782 10 5 EFBEHN CCO[C@H]1C[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000185651554 473478460 /nfs/dbraw/zinc/47/84/60/473478460.db2.gz MDEPUHHPIJYDLT-SJORKVTESA-N 0 3 334.416 2.967 10 5 EFBEHN CCO[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2C)C12CCOCC2 ZINC000185654043 473479591 /nfs/dbraw/zinc/47/95/91/473479591.db2.gz VUNNDIKPBVNEKP-SJORKVTESA-N 0 3 334.416 2.967 10 5 EFBEHN Cc1c([C@@H](C)N[C@@H]2CCCN(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000166554542 473528510 /nfs/dbraw/zinc/52/85/10/473528510.db2.gz BCEGUYWDFFCAIZ-HUUCEWRRSA-N 0 3 343.431 2.956 10 5 EFBEHN COC[C@H](C)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000170603116 473561416 /nfs/dbraw/zinc/56/14/16/473561416.db2.gz NFUZWLBWNBYSKM-CQSZACIVSA-N 0 3 344.415 2.548 10 5 EFBEHN CCc1nc(C2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000191694450 473569663 /nfs/dbraw/zinc/56/96/63/473569663.db2.gz SNDHYSPULODBGC-UHFFFAOYSA-N 0 3 345.403 2.664 10 5 EFBEHN CCc1n[nH]c(C2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)n1 ZINC000191694450 473569667 /nfs/dbraw/zinc/56/96/67/473569667.db2.gz SNDHYSPULODBGC-UHFFFAOYSA-N 0 3 345.403 2.664 10 5 EFBEHN CCc1nnc(C2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)[nH]1 ZINC000191694450 473569673 /nfs/dbraw/zinc/56/96/73/473569673.db2.gz SNDHYSPULODBGC-UHFFFAOYSA-N 0 3 345.403 2.664 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000127806401 473652303 /nfs/dbraw/zinc/65/23/03/473652303.db2.gz OWTFCZKTQGKHTB-ZYHUDNBSSA-N 0 3 325.796 2.803 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000127806908 473652720 /nfs/dbraw/zinc/65/27/20/473652720.db2.gz OWTFCZKTQGKHTB-PWSUYJOCSA-N 0 3 325.796 2.803 10 5 EFBEHN CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000246272826 473812501 /nfs/dbraw/zinc/81/25/01/473812501.db2.gz MNEMMWJNXVWQHO-QGZVFWFLSA-N 0 3 333.432 2.579 10 5 EFBEHN CCO[C@@H]1C[C@H](N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000246298956 473822463 /nfs/dbraw/zinc/82/24/63/473822463.db2.gz PMLNESPOTYQMPL-IXDOHACOSA-N 0 3 334.416 2.908 10 5 EFBEHN C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173444455 473840692 /nfs/dbraw/zinc/84/06/92/473840692.db2.gz RSTOWQFFSIGCJM-DZGCQCFKSA-N 0 3 329.404 2.648 10 5 EFBEHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1CN(C)C ZINC000263914820 473904543 /nfs/dbraw/zinc/90/45/43/473904543.db2.gz LZPFSTMYZNPLGJ-GXTWGEPZSA-N 0 3 337.445 2.628 10 5 EFBEHN CCc1ccc([C@H]2CCCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000246990360 474028020 /nfs/dbraw/zinc/02/80/20/474028020.db2.gz NECUXBOMNGCQRC-GDBMZVCRSA-N 0 3 348.403 2.535 10 5 EFBEHN Cc1ccccc1[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182176309 474115779 /nfs/dbraw/zinc/11/57/79/474115779.db2.gz PMPFANFFDVAMMF-LSDHHAIUSA-N 0 3 330.384 2.994 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000247363458 474130029 /nfs/dbraw/zinc/13/00/29/474130029.db2.gz OSESNFCTVOMORX-QMTHXVAHSA-N 0 3 325.796 2.707 10 5 EFBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000175008945 474130314 /nfs/dbraw/zinc/13/03/14/474130314.db2.gz UZQVYBIQEWRFMP-CHWSQXEVSA-N 0 3 337.807 2.947 10 5 EFBEHN CSc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247448660 474149350 /nfs/dbraw/zinc/14/93/50/474149350.db2.gz SNQFRDMFPXUULG-DGCLKSJQSA-N 0 3 337.445 2.775 10 5 EFBEHN C[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCO1 ZINC000183202025 474349910 /nfs/dbraw/zinc/34/99/10/474349910.db2.gz FFXFLMDPCOYMRO-BFVZDQMLSA-N 0 3 341.795 2.732 10 5 EFBEHN CC[C@@H](NC(=O)NC[C@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000176138364 474391381 /nfs/dbraw/zinc/39/13/81/474391381.db2.gz ZBPRTJDHTDCPIU-BLLLJJGKSA-N 0 3 334.420 2.828 10 5 EFBEHN Cc1nccn1-c1ccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000183678290 474410609 /nfs/dbraw/zinc/41/06/09/474410609.db2.gz LEUJRELDBMIAHW-ZDUSSCGKSA-N 0 3 340.387 2.636 10 5 EFBEHN CN1CC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248722666 474415247 /nfs/dbraw/zinc/41/52/47/474415247.db2.gz GFHSFFFAEQDJFH-DOTOQJQBSA-N 0 3 340.383 2.551 10 5 EFBEHN O=[N+]([O-])c1ccc(CCN2CCCN(c3ccccn3)CC2)cc1 ZINC000183829145 474435749 /nfs/dbraw/zinc/43/57/49/474435749.db2.gz TYHDZFRGBSWKOZ-UHFFFAOYSA-N 0 3 326.400 2.745 10 5 EFBEHN CCN(CC)CCSc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000283738348 474483281 /nfs/dbraw/zinc/48/32/81/474483281.db2.gz IVHNTJXEWHFLJG-UHFFFAOYSA-N 0 3 327.406 2.519 10 5 EFBEHN C[C@H](NC[C@H](O)COCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266830347 474496411 /nfs/dbraw/zinc/49/64/11/474496411.db2.gz DPXWWUODADBTNL-HOCLYGCPSA-N 0 3 330.384 2.823 10 5 EFBEHN COc1ccc(CN[C@H](C)[C@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000267154100 474603092 /nfs/dbraw/zinc/60/30/92/474603092.db2.gz DCASNMLVAQUDOQ-DIFFPNOSSA-N 0 3 334.347 2.954 10 5 EFBEHN COc1ccc(CN[C@H](C)[C@@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000267154103 474603996 /nfs/dbraw/zinc/60/39/96/474603996.db2.gz DCASNMLVAQUDOQ-PIGZYNQJSA-N 0 3 334.347 2.954 10 5 EFBEHN COCCN1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291699045 474652235 /nfs/dbraw/zinc/65/22/35/474652235.db2.gz UCJQJDQHPLKVAN-UHFFFAOYSA-N 0 3 330.388 2.666 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2CCCC[C@@H]2C)c1 ZINC000344389168 474711877 /nfs/dbraw/zinc/71/18/77/474711877.db2.gz JAQYISDQHPXRFH-HNNXBMFYSA-N 0 3 349.431 2.663 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000278658515 474759736 /nfs/dbraw/zinc/75/97/36/474759736.db2.gz NYSUUZHSRFZUCZ-MFKMUULPSA-N 0 3 337.807 2.769 10 5 EFBEHN CCNC(=O)C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000284804373 474778712 /nfs/dbraw/zinc/77/87/12/474778712.db2.gz OUQSDCVLYWGDGU-OAHLLOKOSA-N 0 3 349.431 2.874 10 5 EFBEHN CN1CCC(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000273216250 474783249 /nfs/dbraw/zinc/78/32/49/474783249.db2.gz OJGXAISIKRIJDF-UHFFFAOYSA-N 0 3 331.416 2.818 10 5 EFBEHN CS[C@@H]1CN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000273339483 474849824 /nfs/dbraw/zinc/84/98/24/474849824.db2.gz QEKXNXZTIJIHNH-HUXQLNKYSA-N 0 3 349.456 2.502 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](CO)Cc1ccc(F)cc1 ZINC000273426509 474892306 /nfs/dbraw/zinc/89/23/06/474892306.db2.gz KKZDOFIABMHFQS-HNNXBMFYSA-N 0 3 332.375 2.983 10 5 EFBEHN Cn1c2ccc(CNCCc3ccccc3[N+](=O)[O-])cc2sc1=O ZINC000341030936 474896000 /nfs/dbraw/zinc/89/60/00/474896000.db2.gz KZUJOBKATSBSBV-UHFFFAOYSA-N 0 3 343.408 2.841 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000273456506 474907784 /nfs/dbraw/zinc/90/77/84/474907784.db2.gz UXGFGSCZAPMPPL-QZWYOBMBSA-N 0 3 329.400 2.597 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000341063777 474933233 /nfs/dbraw/zinc/93/32/33/474933233.db2.gz FCYVOLINCFTIII-BETUJISGSA-N 0 3 335.404 2.596 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000341069231 474939126 /nfs/dbraw/zinc/93/91/26/474939126.db2.gz OKAVDUXSGSPUAS-BETUJISGSA-N 0 3 335.404 2.596 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000285379561 474997271 /nfs/dbraw/zinc/99/72/71/474997271.db2.gz CQTWAUACXZPOLV-INIZCTEOSA-N 0 3 346.431 2.673 10 5 EFBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000341124323 475000272 /nfs/dbraw/zinc/00/02/72/475000272.db2.gz VITLENZRJLTCAR-ZIAGYGMSSA-N 0 3 334.420 2.657 10 5 EFBEHN CNC(=O)c1ccc(NCCN2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000341126226 475002956 /nfs/dbraw/zinc/00/29/56/475002956.db2.gz NNKSBCGJYMOQMU-CHWSQXEVSA-N 0 3 334.420 2.629 10 5 EFBEHN COc1ccccc1[C@H]1CNCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000261838746 475079297 /nfs/dbraw/zinc/07/92/97/475079297.db2.gz UHOULNLTQDBLNM-GOSISDBHSA-N 0 3 341.411 2.792 10 5 EFBEHN COc1ccc(CC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000609346807 480150968 /nfs/dbraw/zinc/15/09/68/480150968.db2.gz PMHPPEVQBPDFTC-KBPBESRZSA-N 0 3 349.431 2.525 10 5 EFBEHN COc1ccccc1[C@@H]1CNCCN1Cc1csc([N+](=O)[O-])c1 ZINC000262142220 475183116 /nfs/dbraw/zinc/18/31/16/475183116.db2.gz DZPOIJIEIVXGJG-AWEZNQCLSA-N 0 3 333.413 2.811 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000361213950 475273626 /nfs/dbraw/zinc/27/36/26/475273626.db2.gz TUZUBJYVEJGWHU-QAPCUYQASA-N 0 3 345.443 2.716 10 5 EFBEHN CCO[C@@H]1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000339600731 475337848 /nfs/dbraw/zinc/33/78/48/475337848.db2.gz YZKVPPDEPJSXHZ-PRUJXARGSA-N 0 3 342.399 2.813 10 5 EFBEHN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(CN(C)C)cc3)no2)n1 ZINC000345717451 475391874 /nfs/dbraw/zinc/39/18/74/475391874.db2.gz UXEWMKWFORRQJS-UHFFFAOYSA-N 0 3 342.359 2.590 10 5 EFBEHN CC1=CCN(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000358149310 475440650 /nfs/dbraw/zinc/44/06/50/475440650.db2.gz YWYNPHOEWHUSGR-UHFFFAOYSA-N 0 3 341.358 2.938 10 5 EFBEHN C[C@@H]1C[C@@H]1N1C[C@@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000358172140 475458849 /nfs/dbraw/zinc/45/88/49/475458849.db2.gz IEUCMCVHFWYPAA-JHMUCCBASA-N 0 3 343.427 2.515 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC[C@H]2C2CCC2)cc1 ZINC000338018798 475510845 /nfs/dbraw/zinc/51/08/45/475510845.db2.gz YYUXVBCULJIGBF-HOTGVXAUSA-N 0 3 338.429 2.537 10 5 EFBEHN O=C(NC1CCN(C2CCC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000296885206 475521043 /nfs/dbraw/zinc/52/10/43/475521043.db2.gz IAGZEADETMWJEI-UHFFFAOYSA-N 0 3 337.807 2.995 10 5 EFBEHN CCOc1ccc([C@H](C)NCC[C@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000358297104 475568745 /nfs/dbraw/zinc/56/87/45/475568745.db2.gz KRPANKZKRCBSOB-IBILFNBTSA-N 0 3 328.434 2.801 10 5 EFBEHN C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297457539 475764653 /nfs/dbraw/zinc/76/46/53/475764653.db2.gz CCBXPMSVNNMFJX-HEHGZKQESA-N 0 3 334.420 2.780 10 5 EFBEHN CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000340188180 475839152 /nfs/dbraw/zinc/83/91/52/475839152.db2.gz DSPUCRVQEFJITH-AWEZNQCLSA-N 0 3 331.416 2.568 10 5 EFBEHN CCn1c(SC[C@@H](C)N(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000358785785 475935257 /nfs/dbraw/zinc/93/52/57/475935257.db2.gz NUVRVZUTVZPJPT-LLVKDONJSA-N 0 3 335.433 2.915 10 5 EFBEHN O=[N+]([O-])c1ccc(CCN[C@H](c2c[nH]nn2)c2ccc(F)cc2)cc1 ZINC000340473569 476056269 /nfs/dbraw/zinc/05/62/69/476056269.db2.gz LUDIFQJXMCOGTI-KRWDZBQOSA-N 0 3 341.346 2.774 10 5 EFBEHN Cc1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000353578890 476094554 /nfs/dbraw/zinc/09/45/54/476094554.db2.gz VEGGOBWCBSBPOF-INIZCTEOSA-N 0 3 331.416 2.738 10 5 EFBEHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc3cc[nH]c3n2)n1 ZINC000353623703 476133076 /nfs/dbraw/zinc/13/30/76/476133076.db2.gz CBKZPLIWNHXCFG-LSDHHAIUSA-N 0 3 340.387 2.941 10 5 EFBEHN COc1cc(CNC2(CCO)CCCCC2)c([N+](=O)[O-])cc1F ZINC000362324361 476170747 /nfs/dbraw/zinc/17/07/47/476170747.db2.gz QPPVIJGRMDWRBH-UHFFFAOYSA-N 0 3 326.368 2.917 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000340660243 476186637 /nfs/dbraw/zinc/18/66/37/476186637.db2.gz IVMAFYNPKOVCAQ-ZIAGYGMSSA-N 0 3 333.432 2.814 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N(C)C)CC1 ZINC000347308630 476247796 /nfs/dbraw/zinc/24/77/96/476247796.db2.gz CYLMDABZKJZNLV-KAMYIIQDSA-N 0 3 331.416 2.798 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]2COCC[C@@H]21 ZINC000362454431 476263371 /nfs/dbraw/zinc/26/33/71/476263371.db2.gz QIGNRNFCYLTCTG-YOEHRIQHSA-N 0 3 347.415 2.733 10 5 EFBEHN CN1CCC[C@@H](CNc2ccncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000360992150 476529173 /nfs/dbraw/zinc/52/91/73/476529173.db2.gz ZYEYNCHKBUAXQS-LRDDRELGSA-N 0 3 332.429 2.968 10 5 EFBEHN C[C@]1(c2ccc(F)cc2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000369864092 476562319 /nfs/dbraw/zinc/56/23/19/476562319.db2.gz NOVAVANUVXJGSO-SFHVURJKSA-N 0 3 345.374 2.559 10 5 EFBEHN CCN1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000354424302 476654359 /nfs/dbraw/zinc/65/43/59/476654359.db2.gz IYDKRBNVRNMNTP-PWSUYJOCSA-N 0 3 325.434 2.910 10 5 EFBEHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CCOCC2)[C@H]1C ZINC000375240013 476733435 /nfs/dbraw/zinc/73/34/35/476733435.db2.gz HFSNIROPFXUPCR-UONOGXRCSA-N 0 3 347.415 2.813 10 5 EFBEHN C[C@@]1(c2ccccc2)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000370396854 476789796 /nfs/dbraw/zinc/78/97/96/476789796.db2.gz RUAICZORYGGDEN-LJQANCHMSA-N 0 3 339.395 2.857 10 5 EFBEHN CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000457077345 476862439 /nfs/dbraw/zinc/86/24/39/476862439.db2.gz CHWVPDXFLAEULI-CQSZACIVSA-N 0 3 335.404 2.548 10 5 EFBEHN Cc1c([C@H](C)Nc2ccc(N3CCNCC3)cn2)cccc1[N+](=O)[O-] ZINC000423237443 476972643 /nfs/dbraw/zinc/97/26/43/476972643.db2.gz TXIISTCYPMWHDD-AWEZNQCLSA-N 0 3 341.415 2.881 10 5 EFBEHN CN(C)c1ncccc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542523 477009537 /nfs/dbraw/zinc/00/95/37/477009537.db2.gz JJQXMBNWFFTKBD-LSDHHAIUSA-N 0 3 344.419 2.526 10 5 EFBEHN CN(C)c1ncccc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542517 477009834 /nfs/dbraw/zinc/00/98/34/477009834.db2.gz JJQXMBNWFFTKBD-GJZGRUSLSA-N 0 3 344.419 2.526 10 5 EFBEHN CN(C)CCOCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000447590835 477018559 /nfs/dbraw/zinc/01/85/59/477018559.db2.gz FSNKFIJILKMUQP-LJQANCHMSA-N 0 3 343.427 2.852 10 5 EFBEHN Cc1ccc([C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)N(C)C)cc1 ZINC000447681392 477035339 /nfs/dbraw/zinc/03/53/39/477035339.db2.gz YZLKGQCQQIRFAQ-KRWDZBQOSA-N 0 3 339.399 2.916 10 5 EFBEHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CC)C(=O)NC ZINC000453389003 477219051 /nfs/dbraw/zinc/21/90/51/477219051.db2.gz CIURQYCHNAXGDB-RYUDHWBXSA-N 0 3 325.434 2.580 10 5 EFBEHN CCc1ccccc1[C@H](N)CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000423973175 477240320 /nfs/dbraw/zinc/24/03/20/477240320.db2.gz JNWPFZTYAYRPDC-MRXNPFEDSA-N 0 3 343.383 2.596 10 5 EFBEHN COC(=O)c1cc(C)nc(NC2CC(N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000376391657 477311518 /nfs/dbraw/zinc/31/15/18/477311518.db2.gz MUYULLJEANUIHE-UHFFFAOYSA-N 0 3 348.403 2.514 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412179749 477413463 /nfs/dbraw/zinc/41/34/63/477413463.db2.gz VHRFOHCUFYJDTP-BHYGNILZSA-N 0 3 333.432 2.791 10 5 EFBEHN COc1cc(CNCCCC2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000449354338 477560270 /nfs/dbraw/zinc/56/02/70/477560270.db2.gz MNITWLKJXMCLDG-UHFFFAOYSA-N 0 3 338.404 2.908 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449359795 477560418 /nfs/dbraw/zinc/56/04/18/477560418.db2.gz RHLDINIDLSMSRN-CQSZACIVSA-N 0 3 346.408 2.564 10 5 EFBEHN Cc1cc(N2C[C@H]3CCC[C@@H](C2)N3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420234165 477644467 /nfs/dbraw/zinc/64/44/67/477644467.db2.gz GPEWIUIDIBEORM-GASCZTMLSA-N 0 3 339.399 2.691 10 5 EFBEHN C[C@H]1C[C@@H](N2CCCC2)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000515469321 477828535 /nfs/dbraw/zinc/82/85/35/477828535.db2.gz JNSFJJJQQFTQJA-DZGCQCFKSA-N 0 3 330.432 2.932 10 5 EFBEHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000451238656 477895786 /nfs/dbraw/zinc/89/57/86/477895786.db2.gz ZAMMUEAHEKTOEN-CABCVRRESA-N 0 3 336.388 2.815 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@](O)(CO)C3)s2)cc1 ZINC000459664334 478029447 /nfs/dbraw/zinc/02/94/47/478029447.db2.gz AYJBHVNKIQYOKR-QGZVFWFLSA-N 0 3 348.424 2.643 10 5 EFBEHN O=[N+]([O-])c1cc2c(cc1CNCCCC1CCOCC1)OCCO2 ZINC000590654442 478278001 /nfs/dbraw/zinc/27/80/01/478278001.db2.gz FCEPZVCRVUYVOC-UHFFFAOYSA-N 0 3 336.388 2.662 10 5 EFBEHN CCc1ccccc1[C@@H](N)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562797075 478353182 /nfs/dbraw/zinc/35/31/82/478353182.db2.gz SHFUHDIQGQDXIB-KRWDZBQOSA-N 0 3 342.399 2.656 10 5 EFBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600469415 478383125 /nfs/dbraw/zinc/38/31/25/478383125.db2.gz BABPMEKTOLTMQM-ZDUSSCGKSA-N 0 3 337.807 2.995 10 5 EFBEHN O=C(NCCN[C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000581618348 478402786 /nfs/dbraw/zinc/40/27/86/478402786.db2.gz ZAADVRPUEAEUHQ-ZDUSSCGKSA-N 0 3 331.397 2.663 10 5 EFBEHN Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506537 478416929 /nfs/dbraw/zinc/41/69/29/478416929.db2.gz BDHMDUXAWQZCBC-HZPDHXFCSA-N 0 3 339.395 2.948 10 5 EFBEHN C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594508242 478417104 /nfs/dbraw/zinc/41/71/04/478417104.db2.gz AETHSSSTJWCZFW-UPJWGTAASA-N 0 3 341.839 2.836 10 5 EFBEHN C[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594508240 478417459 /nfs/dbraw/zinc/41/74/59/478417459.db2.gz AETHSSSTJWCZFW-RWMBFGLXSA-N 0 3 341.839 2.836 10 5 EFBEHN CC(C)(C)O[C@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594519589 478425037 /nfs/dbraw/zinc/42/50/37/478425037.db2.gz WRFACCSRBDXBAX-JOCQHMNTSA-N 0 3 336.388 2.802 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594596548 478455893 /nfs/dbraw/zinc/45/58/93/478455893.db2.gz AOCVVFYDKBPKJJ-HIFRSBDPSA-N 0 3 333.388 2.810 10 5 EFBEHN COc1ccc(CNc2ccc3c(c2)OCCNC3)cc1[N+](=O)[O-] ZINC000600679802 478467293 /nfs/dbraw/zinc/46/72/93/478467293.db2.gz OTOVTFAEYAFROI-UHFFFAOYSA-N 0 3 329.356 2.698 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000597857317 478543774 /nfs/dbraw/zinc/54/37/74/478543774.db2.gz DDIMQXCVDRQZPY-MRXNPFEDSA-N 0 3 348.447 2.776 10 5 EFBEHN CSc1cccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)c1[N+](=O)[O-] ZINC000597859035 478543917 /nfs/dbraw/zinc/54/39/17/478543917.db2.gz QGAWVKXYLZMEBX-NSHDSACASA-N 0 3 337.445 2.919 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597859266 478545240 /nfs/dbraw/zinc/54/52/40/478545240.db2.gz SMOKNSXWOZYCHV-NSHDSACASA-N 0 3 325.796 2.851 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000597859648 478545709 /nfs/dbraw/zinc/54/57/09/478545709.db2.gz WXYWPOYVSAAOQJ-LBPRGKRZSA-N 0 3 342.399 2.746 10 5 EFBEHN COC[C@H](CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)OC ZINC000594955339 478602139 /nfs/dbraw/zinc/60/21/39/478602139.db2.gz NEUMHLLMORRDCZ-AWEZNQCLSA-N 0 3 334.372 2.996 10 5 EFBEHN COC[C@H](CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)OC ZINC000594954957 478602449 /nfs/dbraw/zinc/60/24/49/478602449.db2.gz IOFWCYMCDBOXFX-INIZCTEOSA-N 0 3 334.372 2.996 10 5 EFBEHN Cn1cc(C[C@H]2CCC[C@H]2NCc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000594979995 478617693 /nfs/dbraw/zinc/61/76/93/478617693.db2.gz OJOVFQKUYFFCLV-CXAGYDPISA-N 0 3 332.379 2.968 10 5 EFBEHN COC[C@H](CC1CCOCC1)NCc1cc([N+](=O)[O-])ccc1OC ZINC000595011656 478628100 /nfs/dbraw/zinc/62/81/00/478628100.db2.gz KLRQURDBKHOURS-HNNXBMFYSA-N 0 3 338.404 2.525 10 5 EFBEHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(CC)C1 ZINC000598040684 478629145 /nfs/dbraw/zinc/62/91/45/478629145.db2.gz QIWGGBPDUYSRRD-AWEZNQCLSA-N 0 3 339.823 2.733 10 5 EFBEHN COC[C@H](CC1CCOCC1)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595017341 478629867 /nfs/dbraw/zinc/62/98/67/478629867.db2.gz UBXQKUYCMSSMQH-HNNXBMFYSA-N 0 3 338.404 2.525 10 5 EFBEHN C[C@H]1CCN(CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000582556044 478629986 /nfs/dbraw/zinc/62/99/86/478629986.db2.gz KJADJFQHBJTWQY-GOEBONIOSA-N 0 3 331.416 2.643 10 5 EFBEHN CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598043782 478630641 /nfs/dbraw/zinc/63/06/41/478630641.db2.gz UZYVWCAQMJUSPL-LBPRGKRZSA-N 0 3 325.796 2.805 10 5 EFBEHN CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCN(CC)C1 ZINC000598044163 478630797 /nfs/dbraw/zinc/63/07/97/478630797.db2.gz YVIREOPUTDZZGE-ZDUSSCGKSA-N 0 3 330.388 2.632 10 5 EFBEHN C[C@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1C ZINC000582585117 478635191 /nfs/dbraw/zinc/63/51/91/478635191.db2.gz CTAITBNREMAQBJ-UONOGXRCSA-N 0 3 349.434 2.894 10 5 EFBEHN CCN(C[C@@H]1CCCN1CC)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000582625042 478644929 /nfs/dbraw/zinc/64/49/29/478644929.db2.gz IFCROIQTERKSNG-HNNXBMFYSA-N 0 3 349.431 2.615 10 5 EFBEHN CO[C@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000595059014 478645703 /nfs/dbraw/zinc/64/57/03/478645703.db2.gz FHGHURQXRGHKPN-AFAVFJNCSA-N 0 3 334.416 2.958 10 5 EFBEHN C[C@H](N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595096906 478658278 /nfs/dbraw/zinc/65/82/78/478658278.db2.gz OGCYFGWRIVVPER-BMGDILEWSA-N 0 3 345.443 2.889 10 5 EFBEHN C[C@H]1CCCCN1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601104756 478658721 /nfs/dbraw/zinc/65/87/21/478658721.db2.gz FZZUHYHZWRIZKX-VIFPVBQESA-N 0 3 335.330 2.633 10 5 EFBEHN CCN1CC[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H](C)C1 ZINC000601119818 478667430 /nfs/dbraw/zinc/66/74/30/478667430.db2.gz WSLJQEFEVXAIJK-NXEZZACHSA-N 0 3 349.357 2.514 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2ccc(CNCC[C@H](O)C(F)F)o2)c1 ZINC000601147870 478687495 /nfs/dbraw/zinc/68/74/95/478687495.db2.gz YSSUHUNGXUKBEZ-ZDUSSCGKSA-N 0 3 326.299 2.961 10 5 EFBEHN COc1ccc(CN[C@@](C)(CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000601153561 478693288 /nfs/dbraw/zinc/69/32/88/478693288.db2.gz QFZFMIAYEWPCFS-GOSISDBHSA-N 0 3 348.374 2.826 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCN(C(C)(C)C)C1 ZINC000601191615 478716406 /nfs/dbraw/zinc/71/64/06/478716406.db2.gz OBAHXJTWSPOOLJ-MRVPVSSYSA-N 0 3 335.330 2.632 10 5 EFBEHN CC(C)[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CO)CC=CC1 ZINC000592178020 478813040 /nfs/dbraw/zinc/81/30/40/478813040.db2.gz UOPRWAPADNLNSA-QGZVFWFLSA-N 0 3 344.415 2.914 10 5 EFBEHN Cc1ccc(C2(NCCn3cc([N+](=O)[O-])ccc3=O)CCC2)cc1 ZINC000592187181 478818902 /nfs/dbraw/zinc/81/89/02/478818902.db2.gz HYAKRQZMBNBASR-UHFFFAOYSA-N 0 3 327.384 2.734 10 5 EFBEHN C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1=CCN(C)CC1 ZINC000601421978 478828971 /nfs/dbraw/zinc/82/89/71/478828971.db2.gz NNVVHEHBGOZEFZ-AWEZNQCLSA-N 0 3 343.427 2.783 10 5 EFBEHN CN(CCN(C)C1CC1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601457169 478842426 /nfs/dbraw/zinc/84/24/26/478842426.db2.gz LLJDEYRFJDWXLX-UHFFFAOYSA-N 0 3 331.416 2.569 10 5 EFBEHN CN(C)C1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCC1 ZINC000601513969 478860280 /nfs/dbraw/zinc/86/02/80/478860280.db2.gz HQVWTNWQIRJBFZ-UHFFFAOYSA-N 0 3 331.416 2.617 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCNC[C@@H]3C(F)F)o2)c1 ZINC000592434500 478894127 /nfs/dbraw/zinc/89/41/27/478894127.db2.gz JERHTSGUGBSDBY-CQSZACIVSA-N 0 3 337.326 2.894 10 5 EFBEHN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CCc2ccccc21 ZINC000595636381 478907066 /nfs/dbraw/zinc/90/70/66/478907066.db2.gz XXTMDTWSIILRPI-UHFFFAOYSA-N 0 3 341.411 2.592 10 5 EFBEHN Cc1cc(C(=O)N2CCc3ccccc3[C@H]2CN)cc([N+](=O)[O-])c1 ZINC000592566992 478943142 /nfs/dbraw/zinc/94/31/42/478943142.db2.gz INYIJTAWHJDVTD-QGZVFWFLSA-N 0 3 325.368 2.602 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595770887 478986939 /nfs/dbraw/zinc/98/69/39/478986939.db2.gz OHDVUUVXUOSMGF-PBHICJAKSA-N 0 3 344.415 2.838 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595770891 478987168 /nfs/dbraw/zinc/98/71/68/478987168.db2.gz OHDVUUVXUOSMGF-YOEHRIQHSA-N 0 3 344.415 2.838 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595770889 478988235 /nfs/dbraw/zinc/98/82/35/478988235.db2.gz OHDVUUVXUOSMGF-RHSMWYFYSA-N 0 3 344.415 2.838 10 5 EFBEHN CO[C@H]1C[C@@H](CN(C)c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N(C)C1 ZINC000584011241 478993864 /nfs/dbraw/zinc/99/38/64/478993864.db2.gz FQFFADRSXUDDDX-RYUDHWBXSA-N 0 3 347.337 2.769 10 5 EFBEHN C[C@@H]1COC2(CCCC2)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595805703 479008189 /nfs/dbraw/zinc/00/81/89/479008189.db2.gz BCBQMKOPXNYXGV-CQSZACIVSA-N 0 3 347.415 2.957 10 5 EFBEHN COc1cc(CN(CCN(C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000565550900 479034431 /nfs/dbraw/zinc/03/44/31/479034431.db2.gz VNLNOOIKEYXLMA-UHFFFAOYSA-N 0 3 344.415 2.562 10 5 EFBEHN O=c1[n-]ccc(NCc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000596062479 479115707 /nfs/dbraw/zinc/11/57/07/479115707.db2.gz PWZIETYFPDZYRG-UHFFFAOYSA-N 0 3 328.372 2.903 10 5 EFBEHN COc1ccc(CN2CC[C@@H]2CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000598992958 479118233 /nfs/dbraw/zinc/11/82/33/479118233.db2.gz FBCITFAFJVWWLL-QGZVFWFLSA-N 0 3 341.411 2.968 10 5 EFBEHN CCc1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000592997452 479119076 /nfs/dbraw/zinc/11/90/76/479119076.db2.gz BJJPAIFFNJELME-QGZVFWFLSA-N 0 3 330.384 2.687 10 5 EFBEHN CCN1CCN([C@@H](C)CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599019876 479128513 /nfs/dbraw/zinc/12/85/13/479128513.db2.gz NSUDMXUTBKOJOM-AWEZNQCLSA-N 0 3 343.431 2.581 10 5 EFBEHN COc1cc(NCCCN2CCC(O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596085098 479129522 /nfs/dbraw/zinc/12/95/22/479129522.db2.gz IPMKOMLYTXUWBY-UHFFFAOYSA-N 0 3 343.811 2.516 10 5 EFBEHN COC(=O)c1c(Cl)c(NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000596087814 479130154 /nfs/dbraw/zinc/13/01/54/479130154.db2.gz JABNHJDMKIJZMI-UHFFFAOYSA-N 0 3 327.768 2.541 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN([C@@H](C)CO)C2CCCC2)c1 ZINC000593025397 479130632 /nfs/dbraw/zinc/13/06/32/479130632.db2.gz RYPDPNUFKPURPV-LBPRGKRZSA-N 0 3 336.388 2.507 10 5 EFBEHN COc1cc(N2CC[C@@H](N3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596106030 479142310 /nfs/dbraw/zinc/14/23/10/479142310.db2.gz SCNQVPABYMBQEF-LLVKDONJSA-N 0 3 325.796 2.931 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)C(=O)N1CCCC1 ZINC000599088780 479156629 /nfs/dbraw/zinc/15/66/29/479156629.db2.gz OAEZWNNXXSTPCB-ZDUSSCGKSA-N 0 3 349.431 2.903 10 5 EFBEHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593096435 479173248 /nfs/dbraw/zinc/17/32/48/479173248.db2.gz SNKDESFBKWZLHW-ZDUSSCGKSA-N 0 3 339.395 2.856 10 5 EFBEHN CCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000596167399 479175354 /nfs/dbraw/zinc/17/53/54/479175354.db2.gz GNZCWGJLDZNATR-XJKSGUPXSA-N 0 3 334.420 2.782 10 5 EFBEHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCc2ccc(F)cc21 ZINC000593116400 479183264 /nfs/dbraw/zinc/18/32/64/479183264.db2.gz LVRGTLUXBJPODP-CYBMUJFWSA-N 0 3 345.374 2.557 10 5 EFBEHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCc2ccc(F)cc21 ZINC000593116401 479183631 /nfs/dbraw/zinc/18/36/31/479183631.db2.gz LVRGTLUXBJPODP-ZDUSSCGKSA-N 0 3 345.374 2.557 10 5 EFBEHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCN3C3CCCC3)cc2N1 ZINC000599165255 479189745 /nfs/dbraw/zinc/18/97/45/479189745.db2.gz PEJWIAGOTWXYPX-AWEZNQCLSA-N 0 3 344.415 2.908 10 5 EFBEHN CCC1(N2CCOCC2)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000599187306 479201551 /nfs/dbraw/zinc/20/15/51/479201551.db2.gz QXKLUYXOZINXDW-UHFFFAOYSA-N 0 3 337.395 2.815 10 5 EFBEHN COC(=O)c1cc(NC[C@H]2CCN2C(C)(C)C)cc(C)c1[N+](=O)[O-] ZINC000596309360 479248622 /nfs/dbraw/zinc/24/86/22/479248622.db2.gz ZKORQDOHQKXOLT-CYBMUJFWSA-N 0 3 335.404 2.975 10 5 EFBEHN CO[C@H](CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)cc1 ZINC000599387812 479279692 /nfs/dbraw/zinc/27/96/92/479279692.db2.gz SNXXZHMLPWIQCQ-MRXNPFEDSA-N 0 3 348.378 2.955 10 5 EFBEHN O=[N+]([O-])c1cc(F)ccc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596423631 479289273 /nfs/dbraw/zinc/28/92/73/479289273.db2.gz MZELQWBVSGYAIM-INIZCTEOSA-N 0 3 345.374 2.913 10 5 EFBEHN COCCN1CCC(Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593457700 479349312 /nfs/dbraw/zinc/34/93/12/479349312.db2.gz LYAOAKRNVMPVKY-UHFFFAOYSA-N 0 3 330.388 2.666 10 5 EFBEHN COC1CCN(CCNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593464377 479353174 /nfs/dbraw/zinc/35/31/74/479353174.db2.gz BYQHEGQCXYLIBN-UHFFFAOYSA-N 0 3 330.388 2.666 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626950 479358029 /nfs/dbraw/zinc/35/80/29/479358029.db2.gz SUVYESQDXAOUFK-AMDHYVTDSA-N 0 3 341.795 2.588 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599625638 479358667 /nfs/dbraw/zinc/35/86/67/479358667.db2.gz NXLMRLFGKJBKAP-DRNSDYETSA-N 0 3 341.795 2.588 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626953 479358966 /nfs/dbraw/zinc/35/89/66/479358966.db2.gz SUVYESQDXAOUFK-VGAUDOQQSA-N 0 3 341.795 2.588 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000596627327 479363428 /nfs/dbraw/zinc/36/34/28/479363428.db2.gz YIIOERJLQOHWFP-GFCCVEGCSA-N 0 3 336.392 2.598 10 5 EFBEHN CCC(CC)Nc1ccncc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000574944445 479376320 /nfs/dbraw/zinc/37/63/20/479376320.db2.gz PFOBGVGIZNOCTR-UHFFFAOYSA-N 0 3 329.360 2.660 10 5 EFBEHN Nc1cc(NC[C@H](c2ccco2)N2CCCC2)cc(CO)c1[N+](=O)[O-] ZINC000611525086 479405078 /nfs/dbraw/zinc/40/50/78/479405078.db2.gz HZBZNACIXZVVRW-OAHLLOKOSA-N 0 3 346.387 2.511 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000599780272 479422896 /nfs/dbraw/zinc/42/28/96/479422896.db2.gz NBVANYZPNCRFKM-CQSZACIVSA-N 0 3 348.403 2.742 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](NCC[C@@]2(O)CCOC2)c2ccccc2)c1 ZINC000593725877 479436200 /nfs/dbraw/zinc/43/62/00/479436200.db2.gz ZXXGADGGUOFSLW-RBUKOAKNSA-N 0 3 342.395 2.815 10 5 EFBEHN CCN(CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC1 ZINC000599830328 479442314 /nfs/dbraw/zinc/44/23/14/479442314.db2.gz QRYKRWODJQTOTF-UHFFFAOYSA-N 0 3 343.387 2.749 10 5 EFBEHN O=C(NCCN1CCCCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830790 479443088 /nfs/dbraw/zinc/44/30/88/479443088.db2.gz MOVQBPGMWCWLTH-UHFFFAOYSA-N 0 3 343.387 2.750 10 5 EFBEHN CN(C)CC1(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCC1 ZINC000599836774 479446709 /nfs/dbraw/zinc/44/67/09/479446709.db2.gz YBWURCPENXACSO-UHFFFAOYSA-N 0 3 343.387 2.749 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000596843867 479452598 /nfs/dbraw/zinc/45/25/98/479452598.db2.gz LJISHIZQKPMXCU-LBPRGKRZSA-N 0 3 336.392 2.598 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000589506111 479535398 /nfs/dbraw/zinc/53/53/98/479535398.db2.gz VTEOPNJSRJSOEJ-GJZGRUSLSA-N 0 3 348.399 2.630 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000589506875 479536265 /nfs/dbraw/zinc/53/62/65/479536265.db2.gz YVFMBLVGPBOEFM-RHSMWYFYSA-N 0 3 336.388 2.675 10 5 EFBEHN CCCN(CCN1CCCC1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589518142 479537220 /nfs/dbraw/zinc/53/72/20/479537220.db2.gz ABZGJRBXNSYZTQ-UHFFFAOYSA-N 0 3 349.431 2.689 10 5 EFBEHN C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@H](c1ccccc1)N(C)C ZINC000589598040 479544527 /nfs/dbraw/zinc/54/45/27/479544527.db2.gz CZRQRAMDNJNZDS-SJKOYZFVSA-N 0 3 344.415 2.773 10 5 EFBEHN CC(C)N(CCN(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597094187 479570638 /nfs/dbraw/zinc/57/06/38/479570638.db2.gz BHNRURFJEQMIEA-UHFFFAOYSA-N 0 3 343.815 2.634 10 5 EFBEHN CN1C[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000590052567 479597457 /nfs/dbraw/zinc/59/74/57/479597457.db2.gz DZTNHPSAXPJWKI-RHSMWYFYSA-N 0 3 327.384 2.991 10 5 EFBEHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590441275 479648300 /nfs/dbraw/zinc/64/83/00/479648300.db2.gz CZHGDNPBHNXKDA-SWLSCSKDSA-N 0 3 349.456 2.871 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000610002478 480226258 /nfs/dbraw/zinc/22/62/58/480226258.db2.gz MQTYGCDJWDZRQL-YJBOKZPZSA-N 0 3 333.432 2.843 10 5 EFBEHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCC[C@H]1CN1CCOCC1 ZINC000610371635 480292927 /nfs/dbraw/zinc/29/29/27/480292927.db2.gz VZICVVGFBCYHTH-HOTGVXAUSA-N 0 3 333.432 2.843 10 5 EFBEHN C[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccncc1 ZINC000610517834 480328394 /nfs/dbraw/zinc/32/83/94/480328394.db2.gz WTCGVFWDWPVSMX-GFCCVEGCSA-N 0 3 329.356 2.654 10 5 EFBEHN CC(C)[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1 ZINC000621157730 480365745 /nfs/dbraw/zinc/36/57/45/480365745.db2.gz BDFJUOOGAZGZNH-SFHVURJKSA-N 0 3 349.434 2.751 10 5 EFBEHN COc1cc(CN2CCC[C@@H]2Cn2ccnc2C)c([N+](=O)[O-])cc1F ZINC000184231053 533804640 /nfs/dbraw/zinc/80/46/40/533804640.db2.gz ZPLOYEODWAXQAR-CQSZACIVSA-N 0 3 348.378 2.912 10 5 EFBEHN COc1cc(CN2CCC[C@H]2Cn2ccnc2C)c([N+](=O)[O-])cc1F ZINC000184231036 533807208 /nfs/dbraw/zinc/80/72/08/533807208.db2.gz ZPLOYEODWAXQAR-AWEZNQCLSA-N 0 3 348.378 2.912 10 5 EFBEHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117767782 519335349 /nfs/dbraw/zinc/33/53/49/519335349.db2.gz CAMNRFMOBJIKRO-CYBMUJFWSA-N 0 3 341.839 2.883 10 5 EFBEHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2ccn[nH]2)CC1 ZINC000195506686 524272724 /nfs/dbraw/zinc/27/27/24/524272724.db2.gz QSWYWTQLBIPESY-LBPRGKRZSA-N 0 3 343.387 2.525 10 5 EFBEHN Cc1nccn1C[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000178297063 534779481 /nfs/dbraw/zinc/77/94/81/534779481.db2.gz MBNXTYMYNCFPCF-HNNXBMFYSA-N 0 3 330.388 2.643 10 5 EFBEHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1cccc(F)c1 ZINC000245571877 524507008 /nfs/dbraw/zinc/50/70/08/524507008.db2.gz BXTLMBXDNJNSJL-FZKQIMNGSA-N 0 3 345.374 2.979 10 5 EFBEHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2ccn[nH]2)CC1 ZINC000195506688 526161390 /nfs/dbraw/zinc/16/13/90/526161390.db2.gz QSWYWTQLBIPESY-GFCCVEGCSA-N 0 3 343.387 2.525 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000182082251 527314871 /nfs/dbraw/zinc/31/48/71/527314871.db2.gz FIYOFKBPFBYURS-CYBMUJFWSA-N 0 3 342.399 2.549 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152546282 527390684 /nfs/dbraw/zinc/39/06/84/527390684.db2.gz ZAJFJRXOVPREHF-KRWDZBQOSA-N 0 3 329.356 2.522 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000152546374 527391104 /nfs/dbraw/zinc/39/11/04/527391104.db2.gz ZAJFJRXOVPREHF-QGZVFWFLSA-N 0 3 329.356 2.522 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(C3CCOCC3)CC2)c1 ZINC000153562874 527393491 /nfs/dbraw/zinc/39/34/91/527393491.db2.gz ZCKNWFVGKSWHJX-GOSISDBHSA-N 0 3 334.416 2.767 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(C3CCOCC3)CC2)c1 ZINC000153562991 527394143 /nfs/dbraw/zinc/39/41/43/527394143.db2.gz ZCKNWFVGKSWHJX-SFHVURJKSA-N 0 3 334.416 2.767 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246225920 527394699 /nfs/dbraw/zinc/39/46/99/527394699.db2.gz FIGDBJOYJPJDGG-KFKAGJAMSA-N 0 3 345.443 2.577 10 5 EFBEHN Cn1nccc1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195504077 527599773 /nfs/dbraw/zinc/59/97/73/527599773.db2.gz QPHIFWANGNDXBH-UHFFFAOYSA-N 0 3 344.415 2.977 10 5 EFBEHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137049793 527663236 /nfs/dbraw/zinc/66/32/36/527663236.db2.gz WBLDEQAKNZKCRJ-SJORKVTESA-N 0 3 344.415 2.816 10 5 EFBEHN CCOC(=O)c1csc(CCNCc2cccc([N+](=O)[O-])c2)n1 ZINC000190338637 528335504 /nfs/dbraw/zinc/33/55/04/528335504.db2.gz UKYHCAMQMDTGAN-UHFFFAOYSA-N 0 3 335.385 2.560 10 5 EFBEHN CC(C)c1nnc2n1C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178652404 528476420 /nfs/dbraw/zinc/47/64/20/528476420.db2.gz UDMHYYPGMPVMIH-OCCSQVGLSA-N 0 3 329.404 2.975 10 5 EFBEHN CC[C@@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000425693462 535789359 /nfs/dbraw/zinc/78/93/59/535789359.db2.gz STDBNLRBHJHCTK-USXIJHARSA-N 0 3 346.431 2.782 10 5 EFBEHN COc1ccc(CNCC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000345011742 536892104 /nfs/dbraw/zinc/89/21/04/536892104.db2.gz LVFRSQJKLJMDMD-AWEZNQCLSA-N 0 3 344.367 2.923 10 5 EFBEHN CN(Cc1cc([N+](=O)[O-])ccc1Br)C1CCN(C)CC1 ZINC000675056444 564112114 /nfs/dbraw/zinc/11/21/14/564112114.db2.gz QFXIDMZNQWDTDL-UHFFFAOYSA-N 0 3 342.237 2.883 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000754255466 575411326 /nfs/dbraw/zinc/41/13/26/575411326.db2.gz CBLRPHNZUKWQSA-HVJHFUJKSA-N 0 3 329.400 2.693 10 5 EFBEHN Cc1ccnc(C2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000755216283 575561220 /nfs/dbraw/zinc/56/12/20/575561220.db2.gz VVCUBJLQIUGRAK-KRWDZBQOSA-N 0 3 342.399 2.606 10 5 EFBEHN CCN1CCC(N(C)C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000755230022 575562941 /nfs/dbraw/zinc/56/29/41/575562941.db2.gz AGOMSLNLPNYIIR-BUHFOSPRSA-N 0 3 331.416 2.941 10 5 EFBEHN COC(=O)/C=C/c1ccc(N[C@@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000757795575 575853170 /nfs/dbraw/zinc/85/31/70/575853170.db2.gz RCQGWAFMMOYAKE-VYXDKDMYSA-N 0 3 345.399 2.676 10 5 EFBEHN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)[C@H]1c1ccccc1 ZINC000758251263 575864873 /nfs/dbraw/zinc/86/48/73/575864873.db2.gz IPOOSSZYAIVCDG-CXAGYDPISA-N 0 3 339.355 2.988 10 5 EFBEHN Cc1nn(CN2CCC[C@H]3COCC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000761294610 576141902 /nfs/dbraw/zinc/14/19/02/576141902.db2.gz YFVNJAZXWGRXRH-XJKSGUPXSA-N 0 3 330.388 2.711 10 5 EFBEHN Cc1nn(CN2CCC[C@H]3COCC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000765081863 577004758 /nfs/dbraw/zinc/00/47/58/577004758.db2.gz RDPKSMJUAXHQLV-BBRMVZONSA-N 0 3 330.388 2.711 10 5 EFBEHN CC[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000765849310 577082667 /nfs/dbraw/zinc/08/26/67/577082667.db2.gz OCXUJOZZLLJAQM-CVEARBPZSA-N 0 3 332.404 2.719 10 5 EFBEHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000769875606 577390477 /nfs/dbraw/zinc/39/04/77/577390477.db2.gz WKIMXINXECXODO-CZUORRHYSA-N 0 3 349.431 2.982 10 5 EFBEHN Cc1ccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)cc1F ZINC001691383905 1248715962 /nfs/dbraw/zinc/71/59/62/1248715962.db2.gz WZQRUYDXYHNYCY-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN Cc1oc(C)c(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c1C ZINC001691383911 1248716348 /nfs/dbraw/zinc/71/63/48/1248716348.db2.gz XBBJECYKWQZDJB-UHFFFAOYSA-N 0 3 345.399 2.975 10 5 EFBEHN CC(C)c1cc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)no1 ZINC001691413150 1248749479 /nfs/dbraw/zinc/74/94/79/1248749479.db2.gz UMXXPQSMRYTSRH-UHFFFAOYSA-N 0 3 346.387 2.568 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cc1 ZINC001691244448 1248567067 /nfs/dbraw/zinc/56/70/67/1248567067.db2.gz MXRZBOVWOCHNCY-UHFFFAOYSA-N 0 3 331.347 2.596 10 5 EFBEHN O=[N+]([O-])c1cc(CN[C@@H]2C[C@@H](O)C23CCC3)ccc1Br ZINC000850389220 1250462161 /nfs/dbraw/zinc/46/21/61/1250462161.db2.gz UDAYAHVQZJLAAU-CHWSQXEVSA-N 0 3 341.205 2.750 10 5 EFBEHN Cc1c([C@@H](C)NCC[S@](=O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000850490543 1250502877 /nfs/dbraw/zinc/50/28/77/1250502877.db2.gz CVSAAGRVHPXVAJ-STFLBKPXSA-N 0 3 338.351 2.865 10 5 EFBEHN Cc1nc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)sc1C ZINC001691608106 1251819072 /nfs/dbraw/zinc/81/90/72/1251819072.db2.gz JRLXGHFZRYXTKZ-UHFFFAOYSA-N 0 3 348.428 2.530 10 5 EFBEHN CCOc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000785457062 1262431139 /nfs/dbraw/zinc/43/11/39/1262431139.db2.gz PKYZUNXBANCFEL-INIZCTEOSA-N 0 3 334.347 2.956 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3C[C@@H]4COC[C@@H]4O3)o2)c1 ZINC000922725865 1266664794 /nfs/dbraw/zinc/66/47/94/1266664794.db2.gz QAZQPFWYZUJWNH-QBIMZIAESA-N 0 3 344.367 2.748 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3C[C@@H]4COC[C@@H]4O3)o2)cc1 ZINC000922726432 1266666603 /nfs/dbraw/zinc/66/66/03/1266666603.db2.gz UCJWWSXCWNHYST-QBIMZIAESA-N 0 3 344.367 2.748 10 5 EFBEHN C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785574555 1275132322 /nfs/dbraw/zinc/13/23/22/1275132322.db2.gz KSEBDECQSVLXJF-GTNSWQLSSA-N 0 3 330.340 2.535 10 5 EFBEHN CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844378595 1278954447 /nfs/dbraw/zinc/95/44/47/1278954447.db2.gz LKHSBQYLSSYSBP-GXFFZTMASA-N 0 3 343.811 2.573 10 5 EFBEHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000871763651 1287275500 /nfs/dbraw/zinc/27/55/00/1287275500.db2.gz NDNNXXTVCCZHCY-KBPBESRZSA-N 0 3 338.795 2.949 10 5 EFBEHN O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CC[C@@H](C3CC3)N2)n1 ZINC000844908897 1279359519 /nfs/dbraw/zinc/35/95/19/1279359519.db2.gz JVCYZYJLBKBFLS-GXTWGEPZSA-N 0 3 343.387 2.836 10 5 EFBEHN COc1cc(Cc2noc([C@@H]3CC[C@H](C4CC4)N3)n2)ccc1[N+](=O)[O-] ZINC000844912425 1279359925 /nfs/dbraw/zinc/35/99/25/1279359925.db2.gz GBSIDZBVMDIAPL-OLZOCXBDSA-N 0 3 344.371 2.780 10 5 EFBEHN CC(C)n1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845875687 1279901982 /nfs/dbraw/zinc/90/19/82/1279901982.db2.gz BDWBXYJDGJOZIM-YGRLFVJLSA-N 0 3 336.323 2.561 10 5 EFBEHN Cc1ccc(CNC[C@@H](O)COCc2ccccc2F)cc1[N+](=O)[O-] ZINC000872231488 1287488679 /nfs/dbraw/zinc/48/86/79/1287488679.db2.gz LHAWHSJJALLGFJ-MRXNPFEDSA-N 0 3 348.374 2.710 10 5 EFBEHN C[C@@H](NC[C@@H]1COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554197 1287591072 /nfs/dbraw/zinc/59/10/72/1287591072.db2.gz UQZRNBRCBZKWIM-DGCLKSJQSA-N 0 3 329.356 2.668 10 5 EFBEHN Cc1nn(CN2CCC[C@H]([C@@H]3CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000747831290 1285579533 /nfs/dbraw/zinc/57/95/33/1285579533.db2.gz LVICILGUUVPLQV-LSDHHAIUSA-N 0 3 344.415 2.959 10 5 EFBEHN O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000747833251 1285585180 /nfs/dbraw/zinc/58/51/80/1285585180.db2.gz VEOCGIKXNUINLZ-UONOGXRCSA-N 0 3 330.388 2.651 10 5 EFBEHN CC(COC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)[N+](=O)[O-] ZINC000813100745 1285651965 /nfs/dbraw/zinc/65/19/65/1285651965.db2.gz WIZILZBCIFMIBI-SECBINFHSA-N 0 3 343.261 2.713 10 5 EFBEHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000813104770 1285653349 /nfs/dbraw/zinc/65/33/49/1285653349.db2.gz HFFCLIXNWYUMRE-LLVKDONJSA-N 0 3 335.335 2.786 10 5 EFBEHN CC(COC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[N+](=O)[O-] ZINC000813105234 1285676275 /nfs/dbraw/zinc/67/62/75/1285676275.db2.gz KXHOSCSBYPVNJP-FBIMIBRVSA-N 0 3 333.262 2.897 10 5 EFBEHN CC(COC(=O)Cn1c2ccccc2nc1SC(F)F)[N+](=O)[O-] ZINC000813105421 1285677053 /nfs/dbraw/zinc/67/70/53/1285677053.db2.gz MAYXEYHSITVFQJ-QMMMGPOBSA-N 0 3 345.327 2.559 10 5 EFBEHN CC(COC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)[N+](=O)[O-] ZINC000813106599 1285679289 /nfs/dbraw/zinc/67/92/89/1285679289.db2.gz FBOFGGZGNZHMRN-SECBINFHSA-N 0 3 343.261 2.713 10 5 EFBEHN CC(COC(=O)CCc1cc(F)ccc1Br)[N+](=O)[O-] ZINC000813114717 1285685218 /nfs/dbraw/zinc/68/52/18/1285685218.db2.gz GEXGMYLTUQAFCF-MRVPVSSYSA-N 0 3 334.141 2.729 10 5 EFBEHN C[C@H](NC[C@H](O)C[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000878660506 1291745882 /nfs/dbraw/zinc/74/58/82/1291745882.db2.gz UJBMEACREJIAEM-VHSSKADRSA-N 0 3 330.384 2.730 10 5 EFBEHN C[C@H](N[C@@H]1CCC[C@]12CCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000880508170 1292523020 /nfs/dbraw/zinc/52/30/20/1292523020.db2.gz RFAQQAPSBYHRMV-MJEQTWJJSA-N 0 3 333.388 2.613 10 5 EFBEHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1(C2CC2)CC1 ZINC001691713621 1295235751 /nfs/dbraw/zinc/23/57/51/1295235751.db2.gz SVEYCMZBJBZMRX-AKAXFMLLSA-N 0 3 343.427 2.769 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927041154 1296981677 /nfs/dbraw/zinc/98/16/77/1296981677.db2.gz AETKMFAALSYBQL-IKKMQULASA-N 0 3 338.429 2.662 10 5 EFBEHN Cc1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000927041199 1296981758 /nfs/dbraw/zinc/98/17/58/1296981758.db2.gz AUQCTYWGSKKDDN-JZIBPQBNSA-N 0 3 338.429 2.662 10 5 EFBEHN Cc1ccc(OCCN(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776275767 1297341696 /nfs/dbraw/zinc/34/16/96/1297341696.db2.gz KZJQXKORVHYNSK-GOSISDBHSA-N 0 3 330.384 2.947 10 5 EFBEHN COc1cc(NC[C@H]2CN3CCC[C@@H]3CO2)c(Cl)cc1[N+](=O)[O-] ZINC000853242734 1300063269 /nfs/dbraw/zinc/06/32/69/1300063269.db2.gz WLAVYEXGVRYAPL-MNOVXSKESA-N 0 3 341.795 2.532 10 5 EFBEHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000795285296 1300620475 /nfs/dbraw/zinc/62/04/75/1300620475.db2.gz UGMOLADDPXFAMQ-UHFFFAOYSA-N 0 3 328.372 2.633 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859826014 1301590027 /nfs/dbraw/zinc/59/00/27/1301590027.db2.gz UHOXXMCAQVKDES-SPTRTOBYSA-N 0 3 341.795 2.588 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859826012 1301590697 /nfs/dbraw/zinc/59/06/97/1301590697.db2.gz UHOXXMCAQVKDES-AMDHYVTDSA-N 0 3 341.795 2.588 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862154679 1302298352 /nfs/dbraw/zinc/29/83/52/1302298352.db2.gz SBPDWKKGTWUMJD-JTQLQIEISA-N 0 3 325.796 2.851 10 5 EFBEHN CC1(C)[C@@H](N)c2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000867990451 1304063718 /nfs/dbraw/zinc/06/37/18/1304063718.db2.gz CIMOILNEJLCUOE-KRWDZBQOSA-N 0 3 341.367 2.799 10 5 EFBEHN CC1(C)[C@@H](N)c2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000867992184 1304065011 /nfs/dbraw/zinc/06/50/11/1304065011.db2.gz YDGICNUPYMHDFU-KRWDZBQOSA-N 0 3 341.367 2.799 10 5 EFBEHN CC([C@H](OC(=O)[C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000870453632 1305329541 /nfs/dbraw/zinc/32/95/41/1305329541.db2.gz BMCMXIJNXHTKDA-FHEMJXCISA-N 0 3 325.336 2.889 10 5 EFBEHN CN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCC1(C)C ZINC000871153163 1305842195 /nfs/dbraw/zinc/84/21/95/1305842195.db2.gz AILWZSNFSBCTTQ-UHFFFAOYSA-N 0 3 325.796 2.805 10 5 EFBEHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC1(C)C ZINC000871155228 1305846396 /nfs/dbraw/zinc/84/63/96/1305846396.db2.gz RHZWLIBYAHXDMB-UHFFFAOYSA-N 0 3 342.399 2.699 10 5 EFBEHN C[C@H](N[C@@H]1CCCN2CCSC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000903269703 1312525741 /nfs/dbraw/zinc/52/57/41/1312525741.db2.gz BCANERPNMCWZRP-NJZAAPMLSA-N 0 3 339.436 2.964 10 5 EFBEHN CCCCC(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001278698913 1315573954 /nfs/dbraw/zinc/57/39/54/1315573954.db2.gz KEVFIBLSOMHCNA-UHFFFAOYSA-N 0 3 349.431 2.540 10 5 EFBEHN CC[C@@H]1OCC[C@H]1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001263535448 1316548608 /nfs/dbraw/zinc/54/86/08/1316548608.db2.gz XSNWOZXPAOSABA-MMMKDXCPSA-N 0 3 325.336 2.890 10 5 EFBEHN Cc1cc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC001265041244 1316698457 /nfs/dbraw/zinc/69/84/57/1316698457.db2.gz SAZOKHBBOHRTFG-UHFFFAOYSA-N 0 3 344.415 2.792 10 5 EFBEHN CCN(CCCNC(=O)c1cc[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266046151 1316972343 /nfs/dbraw/zinc/97/23/43/1316972343.db2.gz ZFJBVWXQFSXUEB-UHFFFAOYSA-N 0 3 330.388 2.565 10 5 EFBEHN O=C(/C=C/c1ccco1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001317071061 1325540423 /nfs/dbraw/zinc/54/04/23/1325540423.db2.gz AVIZVYJZIHDLGK-OTNKMZJBSA-N 0 3 341.367 2.638 10 5 EFBEHN O=C(/C=C\c1ccco1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001317071060 1325540587 /nfs/dbraw/zinc/54/05/87/1325540587.db2.gz AVIZVYJZIHDLGK-BDLDJCAYSA-N 0 3 341.367 2.638 10 5 EFBEHN O=C(CC1CCCC1)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001320950215 1329323826 /nfs/dbraw/zinc/32/38/26/1329323826.db2.gz ANOOOJYCKSYLTL-ONEGZZNKSA-N 0 3 331.416 2.937 10 5 EFBEHN C/C(=C\C(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001326571738 1330318851 /nfs/dbraw/zinc/31/88/51/1330318851.db2.gz AQUXSOQUPYHNNW-AYYGCFCKSA-N 0 3 343.427 2.941 10 5 EFBEHN CC1(NCc2csc([N+](=O)[O-])c2)CCN(C(=O)CCCF)CC1 ZINC001328022247 1330542865 /nfs/dbraw/zinc/54/28/65/1330542865.db2.gz IJGANYTWJBCIFJ-UHFFFAOYSA-N 0 3 343.424 2.877 10 5 EFBEHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC001331694381 1330867190 /nfs/dbraw/zinc/86/71/90/1330867190.db2.gz KVXPCEIWTXPPSB-HNNXBMFYSA-N 0 3 346.431 2.773 10 5 EFBEHN CC([C@H](OC(=O)[C@@H](C)[C@@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC001345234948 1332524698 /nfs/dbraw/zinc/52/46/98/1332524698.db2.gz YDAMODVZZYKONF-JLUCKKNBSA-N 0 3 325.336 2.890 10 5 EFBEHN C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001349383015 1332945746 /nfs/dbraw/zinc/94/57/46/1332945746.db2.gz JASNZMQHFZHUJW-CYBMUJFWSA-N 0 3 349.406 2.752 10 5 EFBEHN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C1CCCC1 ZINC001350603758 1333102140 /nfs/dbraw/zinc/10/21/40/1333102140.db2.gz YBNAHTGTNFYBCE-AWEZNQCLSA-N 0 3 331.416 2.613 10 5 EFBEHN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C1CCCC1 ZINC001350603759 1333102219 /nfs/dbraw/zinc/10/22/19/1333102219.db2.gz YBNAHTGTNFYBCE-CQSZACIVSA-N 0 3 331.416 2.613 10 5 EFBEHN CC[C@@H]1[C@@H](C)CCN1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483893 1334741068 /nfs/dbraw/zinc/74/10/68/1334741068.db2.gz AWRBDYOZZYYZMW-RRQGHBQHSA-N 0 3 331.416 2.989 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]12CCN(C1)CCC2 ZINC001438612027 1388698604 /nfs/dbraw/zinc/69/86/04/1388698604.db2.gz KHIGTZAHUFTRIO-YJBOKZPZSA-N 0 3 331.416 2.518 10 5 EFBEHN CN(C)C1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC001466056538 1396734263 /nfs/dbraw/zinc/73/42/63/1396734263.db2.gz NMRZCSJFBSMZEH-UHFFFAOYSA-N 0 3 325.796 2.739 10 5 EFBEHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001468523918 1396965144 /nfs/dbraw/zinc/96/51/44/1396965144.db2.gz ZMXATZHNWJECDA-NSHDSACASA-N 0 3 335.379 2.599 10 5 EFBEHN Cc1cccnc1[C@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473879912 1397342791 /nfs/dbraw/zinc/34/27/91/1397342791.db2.gz ZFRGXRLXFUDEKK-ZDUSSCGKSA-N 0 3 328.372 2.978 10 5 EFBEHN Cc1ncccc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479793150 1397870224 /nfs/dbraw/zinc/87/02/24/1397870224.db2.gz LCQNFHNVQIUNDD-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C1CCC1 ZINC001493646965 1398788652 /nfs/dbraw/zinc/78/86/52/1398788652.db2.gz DRWBWJJVICGAGU-UHFFFAOYSA-N 0 3 333.432 2.969 10 5 EFBEHN Cc1ccc(C(=O)N(C)CCCNCc2csc([N+](=O)[O-])c2)o1 ZINC001498511639 1402153505 /nfs/dbraw/zinc/15/35/05/1402153505.db2.gz LNJVAARCAIOWGM-UHFFFAOYSA-N 0 3 337.401 2.810 10 5 EFBEHN CN(CCCN(C)C(=O)C1=COCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001502165437 1404060019 /nfs/dbraw/zinc/06/00/19/1404060019.db2.gz WKXSLPXKFPBAFN-UHFFFAOYSA-N 0 3 347.415 2.569 10 5 EFBEHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)(C)C1 ZINC001558525242 1415185858 /nfs/dbraw/zinc/18/58/58/1415185858.db2.gz HNMIPIVPCKZLMN-CYBMUJFWSA-N 0 3 325.796 2.708 10 5 EFBEHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001560131463 1415264619 /nfs/dbraw/zinc/26/46/19/1415264619.db2.gz DCEJVLKPSHLDKP-BDJLRTHQSA-N 0 3 331.328 2.887 10 5 EFBEHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001560131464 1415264680 /nfs/dbraw/zinc/26/46/80/1415264680.db2.gz DCEJVLKPSHLDKP-BZNIZROVSA-N 0 3 331.328 2.887 10 5 EFBEHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@]1(CO)c1ccccc1 ZINC001560231481 1415269899 /nfs/dbraw/zinc/26/98/99/1415269899.db2.gz UTMNUCKXFLGXQI-IBGZPJMESA-N 0 3 342.395 2.957 10 5 EFBEHN Cc1ccc(CN(C)C)cc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001566213999 1415535260 /nfs/dbraw/zinc/53/52/60/1415535260.db2.gz QKEOKXCQQCSWGC-UHFFFAOYSA-N 0 3 337.767 2.594 10 5 EFBEHN CN(CCCNC(=O)C1CC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001566449309 1415552367 /nfs/dbraw/zinc/55/23/67/1415552367.db2.gz KWBDXTLTWTVVPP-UHFFFAOYSA-N 0 3 333.432 2.969 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCc1cccs1 ZINC001567602373 1416206029 /nfs/dbraw/zinc/20/60/29/1416206029.db2.gz ICYJUUHCRAVZNS-UHFFFAOYSA-N 0 3 347.440 2.837 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1ccco1 ZINC001699168058 1417409119 /nfs/dbraw/zinc/40/91/19/1417409119.db2.gz VULULQMFVXLWOJ-CMDGGOBGSA-N 0 3 343.383 2.839 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)sn1 ZINC001716215061 1418725408 /nfs/dbraw/zinc/72/54/08/1418725408.db2.gz SELQAYLQOXYJOB-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1CC2(CC2)C1 ZINC001716240127 1418733692 /nfs/dbraw/zinc/73/36/92/1418733692.db2.gz SNWFMEJSAYGPGD-UHFFFAOYSA-N 0 3 331.416 2.723 10 5 EFBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)C1(F)CCCC1 ZINC001716551858 1418913240 /nfs/dbraw/zinc/91/32/40/1418913240.db2.gz NTYWSSDDSFEKMK-UHFFFAOYSA-N 0 3 343.424 2.877 10 5 EFBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)C1(C2CC2)CC1 ZINC001717153332 1419240413 /nfs/dbraw/zinc/24/04/13/1419240413.db2.gz RSYBGNIZRVFWAP-UHFFFAOYSA-N 0 3 343.427 2.914 10 5 EFBEHN Cc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000813107913 713536712 /nfs/dbraw/zinc/53/67/12/713536712.db2.gz ROELXMSZPSQIIK-JTQLQIEISA-N 0 3 330.178 2.899 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892775914 719156603 /nfs/dbraw/zinc/15/66/03/719156603.db2.gz DUCJCXLNASWLKA-IYPOZPNPSA-N 0 3 329.400 2.599 10 5 EFBEHN CC[C@H](CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000895139555 723436784 /nfs/dbraw/zinc/43/67/84/723436784.db2.gz NYDXEIGCUJQWNG-SECBINFHSA-N 0 3 334.294 2.902 10 5 EFBEHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC([C@H]2COC(=O)N2)CC1 ZINC000897021711 723953603 /nfs/dbraw/zinc/95/36/03/723953603.db2.gz ACPVACOPBFGKOT-HOFZKYPUSA-N 0 3 345.399 2.819 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CCC(NCc3cc(C4CC4)no3)CC2)cn1 ZINC000895765552 724304722 /nfs/dbraw/zinc/30/47/22/724304722.db2.gz ORRGLIYGFRJNPC-UHFFFAOYSA-N 0 3 343.387 2.614 10 5 EFBEHN CC(C)(C)[C@@H](O)CNCc1ccc(Br)cc1[N+](=O)[O-] ZINC000324281373 726398782 /nfs/dbraw/zinc/39/87/82/726398782.db2.gz OWJZSKIZYVPCJB-LBPRGKRZSA-N 0 3 331.210 2.854 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@@H]2CCCCN12 ZINC000908282776 727150459 /nfs/dbraw/zinc/15/04/59/727150459.db2.gz VWWHCHVGOFIEAN-SWLSCSKDSA-N 0 3 333.388 2.949 10 5 EFBEHN C[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)N1CCCCCC1 ZINC000911475847 727543815 /nfs/dbraw/zinc/54/38/15/727543815.db2.gz LPBSBVVPNMWISM-NSHDSACASA-N 0 3 341.358 2.754 10 5 EFBEHN CC[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1 ZINC000912731045 727739346 /nfs/dbraw/zinc/73/93/46/727739346.db2.gz KBIDQZILBDVMCH-WCQYABFASA-N 0 3 339.823 2.780 10 5 EFBEHN C[C@H]1CC[C@H](C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001266999752 1092292524 /nfs/dbraw/zinc/29/25/24/1092292524.db2.gz XDAZYOHJCCUNDJ-KOMQPUFPSA-N 0 3 333.432 2.969 10 5 EFBEHN COc1ccc(C[C@H]2CCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001167635576 1093169303 /nfs/dbraw/zinc/16/93/03/1093169303.db2.gz NDLLNUSIZKKDHB-VQIMIIECSA-N 0 3 342.395 2.954 10 5 EFBEHN CC(C)N(CCCNC(=O)C(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001267497204 1094993917 /nfs/dbraw/zinc/99/39/17/1094993917.db2.gz QAKPEBMNVJGPAE-UHFFFAOYSA-N 0 3 343.374 2.967 10 5 EFBEHN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)N(C)C)cc1 ZINC001625918919 1096182072 /nfs/dbraw/zinc/18/20/72/1096182072.db2.gz HYUAUJPLRPJMQE-QGZVFWFLSA-N 0 3 342.399 2.518 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cccs1 ZINC001268430346 1096587471 /nfs/dbraw/zinc/58/74/71/1096587471.db2.gz WJPSTUMHOORFBG-UHFFFAOYSA-N 0 3 347.440 2.837 10 5 EFBEHN CC1(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001268578821 1097270684 /nfs/dbraw/zinc/27/06/84/1097270684.db2.gz ZEODGWOHOGJEMF-SNAWJCMRSA-N 0 3 331.416 2.937 10 5 EFBEHN Cc1cnccc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001268791923 1097636775 /nfs/dbraw/zinc/63/67/75/1097636775.db2.gz NOCGPJKUWIMZRD-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN CCc1occc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001481225417 1098602020 /nfs/dbraw/zinc/60/20/20/1098602020.db2.gz OICFEMDJNDRKRI-UHFFFAOYSA-N 0 3 331.372 2.612 10 5 EFBEHN CC(C)C(=O)NCCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001270095403 1098689324 /nfs/dbraw/zinc/68/93/24/1098689324.db2.gz SNPJSIFJSIUCTD-UHFFFAOYSA-N 0 3 333.432 2.969 10 5 EFBEHN Cc1cc(N2CCN[C@@H](c3ccc(O)cc3)C2)c(F)cc1[N+](=O)[O-] ZINC001612839730 1099079686 /nfs/dbraw/zinc/07/96/86/1099079686.db2.gz ULAKBPADGBAYBH-OAHLLOKOSA-N 0 3 331.347 2.899 10 5 EFBEHN Cc1cc(N2CCN[C@H](c3ccc(O)cc3)C2)c(F)cc1[N+](=O)[O-] ZINC001612839729 1099079873 /nfs/dbraw/zinc/07/98/73/1099079873.db2.gz ULAKBPADGBAYBH-HNNXBMFYSA-N 0 3 331.347 2.899 10 5 EFBEHN O=C(CN1CC[C@@H](C2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001618677105 1099312190 /nfs/dbraw/zinc/31/21/90/1099312190.db2.gz NECOWUTVQAQXIH-MRXNPFEDSA-N 0 3 343.427 2.996 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNCC1(C2(O)CCC2)CCC1 ZINC001620572353 1099359448 /nfs/dbraw/zinc/35/94/48/1099359448.db2.gz ZHWCWKGOESURQN-UHFFFAOYSA-N 0 3 347.415 2.517 10 5 EFBEHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001626939518 1099938637 /nfs/dbraw/zinc/93/86/37/1099938637.db2.gz NWTRUDLSLDSBEX-CYBMUJFWSA-N 0 3 335.379 2.789 10 5 EFBEHN CCC(C)(C)N1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC001631654377 1100416983 /nfs/dbraw/zinc/41/69/83/1100416983.db2.gz BVQVLZQZGGTCIB-UHFFFAOYSA-N 0 3 348.447 2.730 10 5 EFBEHN CCC(C)(C)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001631659346 1100418376 /nfs/dbraw/zinc/41/83/76/1100418376.db2.gz UMJRMIRHFUITFT-UHFFFAOYSA-N 0 3 349.431 2.615 10 5 EFBEHN CCN1CCCC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001633420886 1100541790 /nfs/dbraw/zinc/54/17/90/1100541790.db2.gz DBYPVVIJBOGFBC-LLVKDONJSA-N 0 3 325.796 2.852 10 5 EFBEHN CCN1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C(C)(C)C1 ZINC001639266166 1100931770 /nfs/dbraw/zinc/93/17/70/1100931770.db2.gz IEODICYGNXTBSE-GFCCVEGCSA-N 0 3 325.796 2.708 10 5 EFBEHN CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C(C)(C)C1 ZINC001639267346 1100931951 /nfs/dbraw/zinc/93/19/51/1100931951.db2.gz WXKFQSIJVBSOEN-OAHLLOKOSA-N 0 3 342.399 2.603 10 5 EFBEHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN[C@@H](c2ccccc2)C1 ZINC001640437808 1101046687 /nfs/dbraw/zinc/04/66/87/1101046687.db2.gz ADXYMMIEUZSXQZ-CYBMUJFWSA-N 0 3 328.328 2.654 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CCN[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001651438410 1101329916 /nfs/dbraw/zinc/32/99/16/1101329916.db2.gz JONSYJXWWDQKMW-AWEZNQCLSA-N 0 3 328.328 2.654 10 5 EFBEHN Cc1ccc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c(N)c1[N+](=O)[O-] ZINC001653215320 1101596318 /nfs/dbraw/zinc/59/63/18/1101596318.db2.gz VGVLYEHHYJYAHF-MRXNPFEDSA-N 0 3 338.383 2.636 10 5 EFBEHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H]1CCCCN1CCO ZINC001655499875 1101835276 /nfs/dbraw/zinc/83/52/76/1101835276.db2.gz WTHUYNKDLXEOAL-LBPRGKRZSA-N 0 3 347.337 2.872 10 5 EFBEHN CN(CCO)CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001655845748 1101900360 /nfs/dbraw/zinc/90/03/60/1101900360.db2.gz VWCLSDLEZOUOOV-UHFFFAOYSA-N 0 3 341.717 2.603 10 5 EFBEHN CC/C(C)=C\C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001656132200 1101968786 /nfs/dbraw/zinc/96/87/86/1101968786.db2.gz HEVJZRGBVQSQIJ-WBHAHGPOSA-N 0 3 331.416 2.936 10 5 EFBEHN C/C(=C\C(=O)N1CCN(CC(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785069654 1102353943 /nfs/dbraw/zinc/35/39/43/1102353943.db2.gz ANNCDLVDYDJCEB-NTCAYCPXSA-N 0 3 331.416 2.798 10 5 EFBEHN Cc1cc(F)cc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001266843150 1102410022 /nfs/dbraw/zinc/41/00/22/1102410022.db2.gz DYZWCUHABVBSKD-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN O=C(CCN1CCc2cc(O)ccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001660704480 1102940198 /nfs/dbraw/zinc/94/01/98/1102940198.db2.gz ANZAZWMYUGRNRC-UHFFFAOYSA-N 0 3 341.367 2.687 10 5 EFBEHN CC(C)c1nocc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001663981398 1104256050 /nfs/dbraw/zinc/25/60/50/1104256050.db2.gz FTYQSVUGVMCKTL-UHFFFAOYSA-N 0 3 346.387 2.568 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccsc1 ZINC001663981562 1104256064 /nfs/dbraw/zinc/25/60/64/1104256064.db2.gz LAHWQHYRMWZEBV-UHFFFAOYSA-N 0 3 347.440 2.837 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccsc1 ZINC001482909320 1105157185 /nfs/dbraw/zinc/15/71/85/1105157185.db2.gz DBKRCTJHSWWZHE-UHFFFAOYSA-N 0 3 333.413 2.908 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1CC(F)(F)C1 ZINC001668401480 1105292817 /nfs/dbraw/zinc/29/28/17/1105292817.db2.gz KONDEPIKPIPOLQ-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN Cc1cc[nH]c1C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001484632694 1113081368 /nfs/dbraw/zinc/08/13/68/1113081368.db2.gz IUCLQNKLWUMUKZ-UHFFFAOYSA-N 0 3 342.399 2.674 10 5 EFBEHN O=C1COc2ccccc2N1CCCNCc1csc([N+](=O)[O-])c1 ZINC000174520809 231230574 /nfs/dbraw/zinc/23/05/74/231230574.db2.gz HBJUXGWZMRMKNH-UHFFFAOYSA-N 0 3 347.396 2.562 10 5 EFBEHN CC[C@H](NCCCS(=O)(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181547907 529599045 /nfs/dbraw/zinc/59/90/45/529599045.db2.gz VNVHWIMFHNJDGU-HNNXBMFYSA-N 0 3 328.434 2.849 10 5 EFBEHN COc1ccc(CN2CCC[C@@H]2Cn2ccnc2C)cc1[N+](=O)[O-] ZINC000178316237 232135364 /nfs/dbraw/zinc/13/53/64/232135364.db2.gz UBVLAEXZLIQQIH-OAHLLOKOSA-N 0 3 330.388 2.773 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000183330971 235011941 /nfs/dbraw/zinc/01/19/41/235011941.db2.gz VJRVHAKFMAFYBT-HNNXBMFYSA-N 0 3 341.415 2.821 10 5 EFBEHN CCC[C@](C)(N)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037622520 213161871 /nfs/dbraw/zinc/16/18/71/213161871.db2.gz QYTRXMMIBQWVOD-LBPRGKRZSA-N 0 3 330.182 2.813 10 5 EFBEHN O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193387581 240141773 /nfs/dbraw/zinc/14/17/73/240141773.db2.gz TWIYHELAHPPRCT-UHFFFAOYSA-N 0 3 342.355 2.544 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246117695 243199095 /nfs/dbraw/zinc/19/90/95/243199095.db2.gz KDOVUTCLZBRITH-HIFRSBDPSA-N 0 3 333.432 2.979 10 5 EFBEHN CC(C)(NC(=O)NC[C@H](N)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000418450629 245161905 /nfs/dbraw/zinc/16/19/05/245161905.db2.gz LTTDBYFYFPDCAQ-HNNXBMFYSA-N 0 3 342.399 2.829 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](c4nnc[nH]4)C3)o2)c1 ZINC000425358748 247058114 /nfs/dbraw/zinc/05/81/14/247058114.db2.gz RJDGMIMZVCQBDF-ZDUSSCGKSA-N 0 3 339.355 2.962 10 5 EFBEHN O=[N+]([O-])c1ccccc1CN[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425541922 247126133 /nfs/dbraw/zinc/12/61/33/247126133.db2.gz NBPPQJUEYDYRIZ-KRWDZBQOSA-N 0 3 334.416 2.642 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCCN2C2CC2)c1 ZINC000433816918 248091908 /nfs/dbraw/zinc/09/19/08/248091908.db2.gz AUOCNHWCVISRNM-AWEZNQCLSA-N 0 3 333.388 2.810 10 5 EFBEHN CCOC(=O)CC1(NCc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000434614603 248168827 /nfs/dbraw/zinc/16/88/27/248168827.db2.gz AUSJUCVTYMFSFY-UHFFFAOYSA-N 0 3 336.388 2.959 10 5 EFBEHN COc1cccc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000444178136 250269293 /nfs/dbraw/zinc/26/92/93/250269293.db2.gz BHTBDKJAFVGKJN-CHWSQXEVSA-N 0 3 335.404 2.596 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1C ZINC000267440410 251059088 /nfs/dbraw/zinc/05/90/88/251059088.db2.gz YROUQKYSNGCHLO-GHMZBOCLSA-N 0 3 325.796 2.803 10 5 EFBEHN COC(=O)COc1ccc(CNC2(C3(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000449663831 251105460 /nfs/dbraw/zinc/10/54/60/251105460.db2.gz ASFYARSLBUXLRR-UHFFFAOYSA-N 0 3 334.372 2.569 10 5 EFBEHN C[C@@H]1OCC[C@H]1N(CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449676599 251113591 /nfs/dbraw/zinc/11/35/91/251113591.db2.gz IJLPYZUWBSHBMR-SUMWQHHRSA-N 0 3 346.383 2.827 10 5 EFBEHN CN(C)CCN(Cc1ccc(F)cc1F)c1ccc([N+](=O)[O-])nc1 ZINC000450378993 251367103 /nfs/dbraw/zinc/36/71/03/251367103.db2.gz NKOQBAKZCPIORD-UHFFFAOYSA-N 0 3 336.342 2.836 10 5 EFBEHN Cc1nc(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC000450347091 251355193 /nfs/dbraw/zinc/35/51/93/251355193.db2.gz GVMNLPBMUGPTGP-DOMZBBRYSA-N 0 3 347.444 2.672 10 5 EFBEHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000454347288 252229405 /nfs/dbraw/zinc/22/94/05/252229405.db2.gz SJUDGEXLQDMCJT-UHFFFAOYSA-N 0 3 336.436 2.896 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCc4ccccc43)CC2)nc1 ZINC000097055651 218936512 /nfs/dbraw/zinc/93/65/12/218936512.db2.gz IFPCLSHZMRNVBJ-INIZCTEOSA-N 0 3 338.411 2.842 10 5 EFBEHN C[C@@H](NC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000349692527 142348585 /nfs/dbraw/zinc/34/85/85/142348585.db2.gz JTBXTZQHLNZAGD-MLGOLLRUSA-N 0 3 332.404 2.534 10 5 EFBEHN CC(C)c1ccc(CNC[C@@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000342284349 145093267 /nfs/dbraw/zinc/09/32/67/145093267.db2.gz QQAGWZCRUAWDBU-INIZCTEOSA-N 0 3 329.400 2.979 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342912312 145220000 /nfs/dbraw/zinc/22/00/00/145220000.db2.gz CCCMOIPNRQENTD-GFCCVEGCSA-N 0 3 330.388 2.680 10 5 EFBEHN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CC=CCC1 ZINC000344076922 145362971 /nfs/dbraw/zinc/36/29/71/145362971.db2.gz WFMSIMWSWVNZJU-AWEZNQCLSA-N 0 3 329.400 2.772 10 5 EFBEHN O=C(CCN1CCc2ccccc2C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000348941219 146027241 /nfs/dbraw/zinc/02/72/41/146027241.db2.gz MYHFWWYMWGLKQZ-UHFFFAOYSA-N 0 3 339.395 2.659 10 5 EFBEHN CCCN1CCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000352127703 146296914 /nfs/dbraw/zinc/29/69/14/146296914.db2.gz RIRUQKVHBLYHSW-KRWDZBQOSA-N 0 3 333.432 2.908 10 5 EFBEHN O=[N+]([O-])c1cnc2c(c1)CN(CCCOCCc1ccccc1)CC2 ZINC000352996953 146370616 /nfs/dbraw/zinc/37/06/16/146370616.db2.gz JSPGFFJTDNBRCZ-UHFFFAOYSA-N 0 3 341.411 2.997 10 5 EFBEHN O=[N+]([O-])c1cccc(CNC[C@@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000359795550 148191802 /nfs/dbraw/zinc/19/18/02/148191802.db2.gz IKYLKYRKSBMMJE-AWEZNQCLSA-N 0 3 336.338 2.814 10 5 EFBEHN Cn1cnc([N+](=O)[O-])c1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000359851684 148207185 /nfs/dbraw/zinc/20/71/85/148207185.db2.gz GDRKFPKDRFIDNC-UHFFFAOYSA-N 0 3 347.341 2.546 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)CN1CCOCC1 ZINC000124040368 222368947 /nfs/dbraw/zinc/36/89/47/222368947.db2.gz TXTYXTPCOASHKQ-OAHLLOKOSA-N 0 3 335.448 2.946 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000124234647 222396327 /nfs/dbraw/zinc/39/63/27/222396327.db2.gz AKOGSLIZMIAQOT-JQWIXIFHSA-N 0 3 325.796 2.803 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171640514 227190167 /nfs/dbraw/zinc/19/01/67/227190167.db2.gz YYLYXTSDRGACPK-OAHLLOKOSA-N 0 3 342.399 2.803 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](CNc3ccccn3)C2)c1 ZINC000171642043 227192804 /nfs/dbraw/zinc/19/28/04/227192804.db2.gz IIHNSJMQFVANNA-OAHLLOKOSA-N 0 3 342.399 2.803 10 5 EFBEHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H](O)CN1CCCCC1 ZINC000052131342 292638328 /nfs/dbraw/zinc/63/83/28/292638328.db2.gz WNKFXOMYLLHCCQ-LBPRGKRZSA-N 0 3 347.337 2.872 10 5 EFBEHN CC[C@H](NC(=O)NCC1=CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271944508 266103179 /nfs/dbraw/zinc/10/31/79/266103179.db2.gz XDSROJGMVMSKST-INIZCTEOSA-N 0 3 332.404 2.607 10 5 EFBEHN COc1ccc(NC(=O)NCCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000272761427 266374720 /nfs/dbraw/zinc/37/47/20/266374720.db2.gz ALTIWTNLPXRDEX-GFCCVEGCSA-N 0 3 336.392 2.599 10 5 EFBEHN CC[C@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272778244 266379197 /nfs/dbraw/zinc/37/91/97/266379197.db2.gz RCILCKIAMKEGMD-GUYCJALGSA-N 0 3 346.431 2.996 10 5 EFBEHN CCNC(=O)C1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000277140174 267120364 /nfs/dbraw/zinc/12/03/64/267120364.db2.gz DNXYLFBUGATIIC-UHFFFAOYSA-N 0 3 325.796 2.644 10 5 EFBEHN COc1cc(CN[C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000277552511 267195200 /nfs/dbraw/zinc/19/52/00/267195200.db2.gz SUYYBXNIBGPJTP-GXSJLCMTSA-N 0 3 346.330 2.719 10 5 EFBEHN C[C@H](N[C@H]1CCOC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277839750 267276821 /nfs/dbraw/zinc/27/68/21/267276821.db2.gz LXHIKNXEGUPPHP-KWBADKCTSA-N 0 3 341.795 2.590 10 5 EFBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278659420 267512893 /nfs/dbraw/zinc/51/28/93/267512893.db2.gz HRQZSHWLDXIZJA-DGCLKSJQSA-N 0 3 348.321 2.609 10 5 EFBEHN CCN(CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000276624101 273138930 /nfs/dbraw/zinc/13/89/30/273138930.db2.gz RKUPUYLLFULXCG-UHFFFAOYSA-N 0 3 325.796 2.771 10 5 EFBEHN CCN1CCC[C@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000279124428 273179462 /nfs/dbraw/zinc/17/94/62/273179462.db2.gz WDNSUWSQCYICKB-LBPRGKRZSA-N 0 3 325.796 2.771 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000280280988 273310876 /nfs/dbraw/zinc/31/08/76/273310876.db2.gz DOOBRRSRHLHYGK-QWHCGFSZSA-N 0 3 335.404 2.548 10 5 EFBEHN Cc1ccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1[N+](=O)[O-] ZINC000282604078 273587580 /nfs/dbraw/zinc/58/75/80/273587580.db2.gz DDLQIIXUWTYILI-WBVHZDCISA-N 0 3 334.416 2.561 10 5 EFBEHN C[C@H](NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000283485482 273721329 /nfs/dbraw/zinc/72/13/29/273721329.db2.gz XMNWSHSFVRTPKC-YSVLISHTSA-N 0 3 334.416 2.813 10 5 EFBEHN C[C@@H](N[C@@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000105802161 274256995 /nfs/dbraw/zinc/25/69/95/274256995.db2.gz MWUHTRGPVVTWMX-UKRRQHHQSA-N 0 3 327.388 2.704 10 5 EFBEHN C[C@@H]1C[C@@H]1N1C[C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433289364 274397389 /nfs/dbraw/zinc/39/73/89/274397389.db2.gz OQEWZWMPCXTWOF-UDVXPWBQSA-N 0 3 343.427 2.916 10 5 EFBEHN COc1ccc(CN[C@@H]2COc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000288412032 274587648 /nfs/dbraw/zinc/58/76/48/274587648.db2.gz AMQZGXBITMLGPW-AWEZNQCLSA-N 0 3 332.331 2.836 10 5 EFBEHN O=[N+]([O-])c1ccn(C2CCN(Cc3cccc4c3NCC4)CC2)n1 ZINC000262045466 275040527 /nfs/dbraw/zinc/04/05/27/275040527.db2.gz YYEALKWKEIWRQO-UHFFFAOYSA-N 0 3 327.388 2.596 10 5 EFBEHN CCc1nc2n(n1)C[C@@H](N[C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192983995 276694821 /nfs/dbraw/zinc/69/48/21/276694821.db2.gz HUHIMDVDZKNTAN-XJKSGUPXSA-N 0 3 341.415 2.731 10 5 EFBEHN CN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362358518 277062301 /nfs/dbraw/zinc/06/23/01/277062301.db2.gz KAAUGJFNTALQLD-CQSZACIVSA-N 0 3 330.363 2.724 10 5 EFBEHN COc1cnccc1N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000360242626 278076729 /nfs/dbraw/zinc/07/67/29/278076729.db2.gz QDVQNWHUTBJFCR-UHFFFAOYSA-N 0 3 348.790 2.978 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000245524384 281022678 /nfs/dbraw/zinc/02/26/78/281022678.db2.gz NMVKYIIXOKHCQF-MPGHIAIKSA-N 0 3 333.432 2.617 10 5 EFBEHN CO[C@@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000290579701 294126130 /nfs/dbraw/zinc/12/61/30/294126130.db2.gz PJIVFLOVHCGARQ-UTLUCORTSA-N 0 3 329.784 2.588 10 5 EFBEHN CO[C@@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290636652 294142176 /nfs/dbraw/zinc/14/21/76/294142176.db2.gz VNMJDJRPURCZPC-BBBLOLIVSA-N 0 3 329.784 2.588 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000294002230 295096604 /nfs/dbraw/zinc/09/66/04/295096604.db2.gz XJXLTWDBBKTWSM-MRXNPFEDSA-N 0 3 337.807 2.724 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294543526 295183565 /nfs/dbraw/zinc/18/35/65/295183565.db2.gz QKOFBLXMNKXGQL-CQSZACIVSA-N 0 3 347.415 2.548 10 5 EFBEHN COC(=O)c1cc(C)nc(NC2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000295660358 295356391 /nfs/dbraw/zinc/35/63/91/295356391.db2.gz ASEFRJYWLQSPTC-UHFFFAOYSA-N 0 3 348.403 2.514 10 5 EFBEHN Cc1sc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000298284463 310975008 /nfs/dbraw/zinc/97/50/08/310975008.db2.gz BZTBUTUTSAHQBK-AWEZNQCLSA-N 0 3 333.413 2.997 10 5 EFBEHN COc1ccccc1[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299377170 311078338 /nfs/dbraw/zinc/07/83/38/311078338.db2.gz GHCSUGMVUXGNNT-DZGCQCFKSA-N 0 3 346.383 2.694 10 5 EFBEHN Cc1ccc(N2CCCC[C@@H](N3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000301805100 311159347 /nfs/dbraw/zinc/15/93/47/311159347.db2.gz DWCDCTKFMMCBOD-MRXNPFEDSA-N 0 3 332.448 2.510 10 5 EFBEHN Cc1cccc(N2CC[C@@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000302523150 311192600 /nfs/dbraw/zinc/19/26/00/311192600.db2.gz YOYLVGCAKMZXAD-MRXNPFEDSA-N 0 3 333.432 2.984 10 5 EFBEHN Cc1ccc(OC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000326440017 311244106 /nfs/dbraw/zinc/24/41/06/311244106.db2.gz ZHGJYEHVZYZRBT-INIZCTEOSA-N 0 3 330.384 2.741 10 5 EFBEHN COC[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000397248200 311959496 /nfs/dbraw/zinc/95/94/96/311959496.db2.gz ODXUOHLKZGNOOM-GFCCVEGCSA-N 0 3 329.194 2.872 10 5 EFBEHN Cc1ccc([C@H](C)NC(=O)NC[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000417818190 312274841 /nfs/dbraw/zinc/27/48/41/312274841.db2.gz AQNDBILGRQCIAR-XJKSGUPXSA-N 0 3 342.399 2.963 10 5 EFBEHN Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000493253041 314292718 /nfs/dbraw/zinc/29/27/18/314292718.db2.gz JGDWRGKDYAHDEK-BBRMVZONSA-N 0 3 346.431 2.842 10 5 EFBEHN Cc1ccsc1[C@H](CO)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494630574 314615934 /nfs/dbraw/zinc/61/59/34/314615934.db2.gz JWZSICMKAKPARD-AWEZNQCLSA-N 0 3 349.412 2.617 10 5 EFBEHN CC1(C)NC(=O)CC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494985530 314654637 /nfs/dbraw/zinc/65/46/37/314654637.db2.gz KVSBZIWYCLFNND-LBPRGKRZSA-N 0 3 345.321 2.760 10 5 EFBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337635 316154798 /nfs/dbraw/zinc/15/47/98/316154798.db2.gz KCYQBKSISJCDQW-ZIAGYGMSSA-N 0 3 334.420 2.657 10 5 EFBEHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1)N(C)C ZINC000526952016 316310005 /nfs/dbraw/zinc/31/00/05/316310005.db2.gz OGCODPFNUCTWRJ-GUYCJALGSA-N 0 3 342.399 2.719 10 5 EFBEHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531887886 317328465 /nfs/dbraw/zinc/32/84/65/317328465.db2.gz BCBRBAQCBUACFN-KRWDZBQOSA-N 0 3 340.383 2.557 10 5 EFBEHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc(CO)c(F)c2)n1 ZINC000564705550 318883024 /nfs/dbraw/zinc/88/30/24/318883024.db2.gz GNJRTJFOKXUVTL-CVEARBPZSA-N 0 3 348.378 2.696 10 5 EFBEHN CSc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000566642728 319097500 /nfs/dbraw/zinc/09/75/00/319097500.db2.gz YVSNFWDFMHDZRL-CQSZACIVSA-N 0 3 348.424 2.846 10 5 EFBEHN CC(C)(CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000183642185 323344316 /nfs/dbraw/zinc/34/43/16/323344316.db2.gz IFVQIXOZMXKITF-INIZCTEOSA-N 0 3 327.384 2.785 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](NCCCn2ccnn2)c2ccccc2)c1 ZINC000184264743 323360511 /nfs/dbraw/zinc/36/05/11/323360511.db2.gz PHYWYGMEPPHREN-SFHVURJKSA-N 0 3 337.383 2.956 10 5 EFBEHN CN(Cc1cccnc1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000190449567 473279705 /nfs/dbraw/zinc/27/97/05/473279705.db2.gz RTLFNQSBQDQGIR-MRXNPFEDSA-N 0 3 326.400 2.948 10 5 EFBEHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190450515 473278855 /nfs/dbraw/zinc/27/88/55/473278855.db2.gz CJZUWXZYXMGKHO-MRXNPFEDSA-N 0 3 341.415 2.652 10 5 EFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000190449547 473279223 /nfs/dbraw/zinc/27/92/23/473279223.db2.gz RTLFNQSBQDQGIR-INIZCTEOSA-N 0 3 326.400 2.948 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124799447 473305311 /nfs/dbraw/zinc/30/53/11/473305311.db2.gz WEGMLUOAXJLKSF-JSGCOSHPSA-N 0 3 337.445 2.628 10 5 EFBEHN Cc1sc(C(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000112916012 473330936 /nfs/dbraw/zinc/33/09/36/473330936.db2.gz JEYWWRIEWDQLMJ-UHFFFAOYSA-N 0 3 325.434 2.911 10 5 EFBEHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000162590977 473359925 /nfs/dbraw/zinc/35/99/25/473359925.db2.gz OKIXDFXTDQDHAC-KGLIPLIRSA-N 0 3 336.388 2.815 10 5 EFBEHN CCc1nc(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000190703796 473367870 /nfs/dbraw/zinc/36/78/70/473367870.db2.gz TTZVEUZDXQZTTR-UHFFFAOYSA-N 0 3 345.403 2.534 10 5 EFBEHN CCc1n[nH]c(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000190703796 473367877 /nfs/dbraw/zinc/36/78/77/473367877.db2.gz TTZVEUZDXQZTTR-UHFFFAOYSA-N 0 3 345.403 2.534 10 5 EFBEHN CN(C)CCN1C(=O)c2cccc3cc4c(O)cccc4c(c32)C1=O ZINC000027557782 472183825 /nfs/dbraw/zinc/18/38/25/472183825.db2.gz LJKXNZMCUJHMAV-UHFFFAOYSA-N 0 3 334.375 2.856 10 5 EFBEHN Cc1ccc([C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000076082584 472263692 /nfs/dbraw/zinc/26/36/92/472263692.db2.gz QTGDPSDIACEXHL-ROUUACIJSA-N 0 3 344.415 2.606 10 5 EFBEHN COC(=O)/C=C/c1ccc(N[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000650 472277084 /nfs/dbraw/zinc/27/70/84/472277084.db2.gz UAEVDVCYEVAFIA-DYLGSBMWSA-N 0 3 333.388 2.676 10 5 EFBEHN C[C@@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2)CC(=O)N1Cc1ccccc1 ZINC000089513420 472452198 /nfs/dbraw/zinc/45/21/98/472452198.db2.gz JFNCTUZXSPBRRR-RDTXWAMCSA-N 0 3 339.395 2.874 10 5 EFBEHN O=C(CN[C@H]1CCCC[C@@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000128735863 472489193 /nfs/dbraw/zinc/48/91/93/472489193.db2.gz DPBNQLCNIUXXPJ-ZFWWWQNUSA-N 0 3 343.387 2.503 10 5 EFBEHN O=C(CN[C@@H]1CCCC[C@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000128736079 472489293 /nfs/dbraw/zinc/48/92/93/472489293.db2.gz DPBNQLCNIUXXPJ-UKRRQHHQSA-N 0 3 343.387 2.503 10 5 EFBEHN Cc1c(C(=O)N[C@H](Cc2ccccc2)CN(C)C)cccc1[N+](=O)[O-] ZINC000155306689 472531144 /nfs/dbraw/zinc/53/11/44/472531144.db2.gz HOMBZYAWJJWTNP-MRXNPFEDSA-N 0 3 341.411 2.806 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000155686527 472595655 /nfs/dbraw/zinc/59/56/55/472595655.db2.gz LKKAYALMRMXFHP-MFKMUULPSA-N 0 3 325.796 2.707 10 5 EFBEHN CCC[C@H](N[C@H]1CCN(C(=O)NCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090409764 472615350 /nfs/dbraw/zinc/61/53/50/472615350.db2.gz GAMFCWHACADWCM-HOCLYGCPSA-N 0 3 334.420 2.829 10 5 EFBEHN CCC[C@@H](N[C@H]1CCN(C(=O)NCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090409765 472615820 /nfs/dbraw/zinc/61/58/20/472615820.db2.gz GAMFCWHACADWCM-GOEBONIOSA-N 0 3 334.420 2.829 10 5 EFBEHN CCOc1ccc([C@H](C)NCC[C@@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000090515132 472628802 /nfs/dbraw/zinc/62/88/02/472628802.db2.gz KRPANKZKRCBSOB-HIMNYSJASA-N 0 3 328.434 2.801 10 5 EFBEHN CC[C@H](NC(=O)NC[C@@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090560571 472636783 /nfs/dbraw/zinc/63/67/83/472636783.db2.gz ZBPRTJDHTDCPIU-WBMJQRKESA-N 0 3 334.420 2.828 10 5 EFBEHN O=[N+]([O-])c1ccccc1OCCN1CCC(Cn2cccn2)CC1 ZINC000105887186 472798422 /nfs/dbraw/zinc/79/84/22/472798422.db2.gz SINBVGFIVNQPST-UHFFFAOYSA-N 0 3 330.388 2.582 10 5 EFBEHN Cc1cnn([C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106220225 472833044 /nfs/dbraw/zinc/83/30/44/472833044.db2.gz BYKVFCAIZKMJLB-INIZCTEOSA-N 0 3 330.388 2.816 10 5 EFBEHN Cc1cnn([C@@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106220222 472834478 /nfs/dbraw/zinc/83/44/78/472834478.db2.gz BYKVFCAIZKMJLB-MRXNPFEDSA-N 0 3 330.388 2.816 10 5 EFBEHN C[C@@H]1CN(C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000092078973 472854675 /nfs/dbraw/zinc/85/46/75/472854675.db2.gz GUTNIONJUNPJKG-MQDFFIGUSA-N 0 3 345.443 2.793 10 5 EFBEHN COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000073869909 472892330 /nfs/dbraw/zinc/89/23/30/472892330.db2.gz GDAPOFQLZOLVTC-UHFFFAOYSA-N 0 3 342.399 2.711 10 5 EFBEHN Cc1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000121901285 472939964 /nfs/dbraw/zinc/93/99/64/472939964.db2.gz OJJMCJJKMILBNG-KRWDZBQOSA-N 0 3 327.384 2.936 10 5 EFBEHN O=[N+]([O-])c1ccc(SC[C@H](O)CN2CCc3ccccc3C2)nc1 ZINC000159190568 473007085 /nfs/dbraw/zinc/00/70/85/473007085.db2.gz SVVIBPNIUZGWJC-MRXNPFEDSA-N 0 3 345.424 2.501 10 5 EFBEHN Cc1cc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)cc([N+](=O)[O-])c1 ZINC000122515594 473024010 /nfs/dbraw/zinc/02/40/10/473024010.db2.gz IWIKWAHPPPQRPI-QGZVFWFLSA-N 0 3 341.411 2.806 10 5 EFBEHN O=[N+]([O-])c1ccccc1/C=C/CN1CCCC[C@H]1CN1CCOCC1 ZINC000093011117 473026167 /nfs/dbraw/zinc/02/61/67/473026167.db2.gz MUGATZJQVJDWPK-FZMUQLTDSA-N 0 3 345.443 2.795 10 5 EFBEHN CN1CCC[C@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051383497 473045305 /nfs/dbraw/zinc/04/53/05/473045305.db2.gz ADUNIULMLPNIIQ-ZDUSSCGKSA-N 0 3 346.412 2.542 10 5 EFBEHN CN1CCC[C@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051383500 473045611 /nfs/dbraw/zinc/04/56/11/473045611.db2.gz ZUWIKZIIGLTIMG-ZDUSSCGKSA-N 0 3 346.412 2.542 10 5 EFBEHN CCc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066159294 473051840 /nfs/dbraw/zinc/05/18/40/473051840.db2.gz UKNPNCJCCRDPLG-HNNXBMFYSA-N 0 3 332.404 2.859 10 5 EFBEHN CCNc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000122914399 473072647 /nfs/dbraw/zinc/07/26/47/473072647.db2.gz PPGODZIZBPHTOG-TZMCWYRMSA-N 0 3 334.420 2.581 10 5 EFBEHN C[C@@H]1CC(C)(C)C[C@](CO)(NCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000080902446 473098356 /nfs/dbraw/zinc/09/83/56/473098356.db2.gz UJWNXXPXGVGMND-FZKQIMNGSA-N 0 3 349.431 2.700 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000094139736 473180570 /nfs/dbraw/zinc/18/05/70/473180570.db2.gz JIVZOBBLRKUKOZ-ZFWWWQNUSA-N 0 3 331.416 2.829 10 5 EFBEHN CCOc1ccc(C(=O)NC[C@H]2CCCCN2CC)cc1[N+](=O)[O-] ZINC000110994078 473187605 /nfs/dbraw/zinc/18/76/05/473187605.db2.gz BXSQXMKCUAZUKB-CQSZACIVSA-N 0 3 335.404 2.598 10 5 EFBEHN CCOc1ccc(C(=O)NC[C@@H]2CCCCN2CC)cc1[N+](=O)[O-] ZINC000110994082 473187880 /nfs/dbraw/zinc/18/78/80/473187880.db2.gz BXSQXMKCUAZUKB-AWEZNQCLSA-N 0 3 335.404 2.598 10 5 EFBEHN Cc1ccc([C@H](C)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000166529610 473528076 /nfs/dbraw/zinc/52/80/76/473528076.db2.gz NTVJYUVEDYDZCL-GOEBONIOSA-N 0 3 343.431 2.956 10 5 EFBEHN O=C(C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000170643838 473572275 /nfs/dbraw/zinc/57/22/75/473572275.db2.gz NYPBICRNNMQIHD-UHFFFAOYSA-N 0 3 345.443 2.862 10 5 EFBEHN C[C@H](N[C@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192810252 473729431 /nfs/dbraw/zinc/72/94/31/473729431.db2.gz YBOIYMWIXVPBHL-ZFWWWQNUSA-N 0 3 327.388 2.704 10 5 EFBEHN C[C@H](NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000245970164 473767884 /nfs/dbraw/zinc/76/78/84/473767884.db2.gz NYALQTLXRURIMD-JLJPHGGASA-N 0 3 346.431 2.782 10 5 EFBEHN COc1ccc(CN[C@H]2COc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000288412036 473935201 /nfs/dbraw/zinc/93/52/01/473935201.db2.gz AMQZGXBITMLGPW-CQSZACIVSA-N 0 3 332.331 2.836 10 5 EFBEHN CN(C)[C@@H]1CCC[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000613666123 480073062 /nfs/dbraw/zinc/07/30/62/480073062.db2.gz PCNRMWXHGMFBNS-QZTJIDSGSA-N 0 3 349.434 2.894 10 5 EFBEHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)N(C)C)cc1 ZINC000195066865 474000301 /nfs/dbraw/zinc/00/03/01/474000301.db2.gz ZLDWUMCTEYPACZ-KRWDZBQOSA-N 0 3 342.399 2.639 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000174533310 474058517 /nfs/dbraw/zinc/05/85/17/474058517.db2.gz JQCIZLHGTYAKTB-LBPRGKRZSA-N 0 3 325.796 2.805 10 5 EFBEHN CSc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000247246047 474097861 /nfs/dbraw/zinc/09/78/61/474097861.db2.gz NHQPFXCYQGTKGZ-AAEUAGOBSA-N 0 3 335.429 2.625 10 5 EFBEHN CSc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247246063 474098795 /nfs/dbraw/zinc/09/87/95/474098795.db2.gz NHQPFXCYQGTKGZ-YPMHNXCESA-N 0 3 335.429 2.625 10 5 EFBEHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000288964481 474105044 /nfs/dbraw/zinc/10/50/44/474105044.db2.gz UBCXBHTWYIUNNW-GJZGRUSLSA-N 0 3 329.404 2.977 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000247289067 474110054 /nfs/dbraw/zinc/11/00/54/474110054.db2.gz KSSNUYPTNQRDDY-MLGOLLRUSA-N 0 3 346.431 2.628 10 5 EFBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000188506135 474113935 /nfs/dbraw/zinc/11/39/35/474113935.db2.gz QISSFRRUYKOQCL-LSDHHAIUSA-N 0 3 347.415 2.611 10 5 EFBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000174960283 474123566 /nfs/dbraw/zinc/12/35/66/474123566.db2.gz LEUXXGGPDVAYEI-ZIAGYGMSSA-N 0 3 337.807 2.947 10 5 EFBEHN CN(CCc1ccc(F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182221085 474125542 /nfs/dbraw/zinc/12/55/42/474125542.db2.gz AAYXFMPSVZPDTM-INIZCTEOSA-N 0 3 348.374 2.648 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247441216 474147859 /nfs/dbraw/zinc/14/78/59/474147859.db2.gz RZWFGHKSOVXXJF-QMTHXVAHSA-N 0 3 325.796 2.707 10 5 EFBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265017040 474164353 /nfs/dbraw/zinc/16/43/53/474164353.db2.gz XULFHWKFMQCHCR-SMDDNHRTSA-N 0 3 329.356 2.650 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1CN1CCOCC1 ZINC000247524715 474172153 /nfs/dbraw/zinc/17/21/53/474172153.db2.gz NSZLKCYHKUVCDA-QAPCUYQASA-N 0 3 333.432 2.843 10 5 EFBEHN COc1cc(C(=O)NCCN2CCCC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000188730646 474179350 /nfs/dbraw/zinc/17/93/50/474179350.db2.gz YCEZZJZZBKVQRJ-LBPRGKRZSA-N 0 3 335.404 2.516 10 5 EFBEHN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCCCC3)c2)n1 ZINC000270731076 474240270 /nfs/dbraw/zinc/24/02/70/474240270.db2.gz CLCJMJWNYPAKMZ-UHFFFAOYSA-N 0 3 343.387 2.567 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175519918 474241131 /nfs/dbraw/zinc/24/11/31/474241131.db2.gz KVMJEVUKWLWCCI-LLVKDONJSA-N 0 3 325.796 2.852 10 5 EFBEHN CN1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248047683 474251388 /nfs/dbraw/zinc/25/13/88/474251388.db2.gz NFXFFHXFAODNOV-QFBILLFUSA-N 0 3 339.395 2.699 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C1CCN(C)CC1 ZINC000275854796 474341556 /nfs/dbraw/zinc/34/15/56/474341556.db2.gz IKOQDPGVHBIGLG-UHFFFAOYSA-N 0 3 325.796 2.723 10 5 EFBEHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000183224118 474353292 /nfs/dbraw/zinc/35/32/92/474353292.db2.gz GGLNLFWYYGSWQF-ISTVAULSSA-N 0 3 341.795 2.732 10 5 EFBEHN CO[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1C ZINC000189331751 474362504 /nfs/dbraw/zinc/36/25/04/474362504.db2.gz UPZSDNMONMSYFL-MLGOLLRUSA-N 0 3 335.404 2.589 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000248572981 474364330 /nfs/dbraw/zinc/36/43/30/474364330.db2.gz CYVQAPWVOVJUOW-DOTOQJQBSA-N 0 3 344.415 2.582 10 5 EFBEHN C[C@@H](NC[C@@H](O)COCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266830341 474497433 /nfs/dbraw/zinc/49/74/33/474497433.db2.gz DPXWWUODADBTNL-GDBMZVCRSA-N 0 3 330.384 2.823 10 5 EFBEHN CCOC(=O)c1csc(CCNCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000190353596 474585319 /nfs/dbraw/zinc/58/53/19/474585319.db2.gz BWKZLIYAOXAQJN-UHFFFAOYSA-N 0 3 349.412 2.869 10 5 EFBEHN Cc1sc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249734072 474609543 /nfs/dbraw/zinc/60/95/43/474609543.db2.gz CVZMWEPEOKKGOU-MNOVXSKESA-N 0 3 325.434 2.815 10 5 EFBEHN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000278518021 474677603 /nfs/dbraw/zinc/67/76/03/474677603.db2.gz SBKFKNWTQBNZNO-GOEBONIOSA-N 0 3 343.431 2.956 10 5 EFBEHN CCc1ccc(NC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000252511601 474689724 /nfs/dbraw/zinc/68/97/24/474689724.db2.gz IONWCFWAQFLRBK-DOMZBBRYSA-N 0 3 334.420 2.961 10 5 EFBEHN Cc1nc(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000252512293 474691141 /nfs/dbraw/zinc/69/11/41/474691141.db2.gz OWSOHGRCOGBKKM-NWANDNLSSA-N 0 3 334.420 2.600 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000278658495 474759218 /nfs/dbraw/zinc/75/92/18/474759218.db2.gz NYSUUZHSRFZUCZ-GWCFXTLKSA-N 0 3 337.807 2.769 10 5 EFBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278659426 474761407 /nfs/dbraw/zinc/76/14/07/474761407.db2.gz HRQZSHWLDXIZJA-YPMHNXCESA-N 0 3 348.321 2.609 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278731443 474800924 /nfs/dbraw/zinc/80/09/24/474800924.db2.gz SOMKGBRJIHNCPR-CABCVRRESA-N 0 3 333.432 2.841 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C2CCOCC2)C[C@H]1C ZINC000278782713 474832604 /nfs/dbraw/zinc/83/26/04/474832604.db2.gz VEILMMKJVNBAJB-OAHLLOKOSA-N 0 3 333.432 2.588 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000278782708 474832627 /nfs/dbraw/zinc/83/26/27/474832627.db2.gz VEILMMKJVNBAJB-HNNXBMFYSA-N 0 3 333.432 2.588 10 5 EFBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341124719 475001272 /nfs/dbraw/zinc/00/12/72/475001272.db2.gz OVBVJHMXSSAXPD-HUUCEWRRSA-N 0 3 348.447 2.699 10 5 EFBEHN Cc1c(Br)c(N2CCC[C@@H]2CN(C)C)ncc1[N+](=O)[O-] ZINC000347411226 475305546 /nfs/dbraw/zinc/30/55/46/475305546.db2.gz IJKWQYAUJCZVCS-SNVBAGLBSA-N 0 3 343.225 2.591 10 5 EFBEHN C[C@H](NC(=O)NCCN1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296507700 475348303 /nfs/dbraw/zinc/34/83/03/475348303.db2.gz YJYDXHOXDNNPRP-KGLIPLIRSA-N 0 3 334.420 2.829 10 5 EFBEHN COc1cnccc1N1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000361523356 475518179 /nfs/dbraw/zinc/51/81/79/475518179.db2.gz FAZBNGRSWCENHA-UHFFFAOYSA-N 0 3 342.399 2.629 10 5 EFBEHN C[C@@H]1[C@@H](C(F)(F)F)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000348247512 475521703 /nfs/dbraw/zinc/52/17/03/475521703.db2.gz SSAAYWSYBCUTBW-WOPDTQHZSA-N 0 3 348.321 2.607 10 5 EFBEHN C[C@@H]1[C@H](C(F)(F)F)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000348247507 475521880 /nfs/dbraw/zinc/52/18/80/475521880.db2.gz SSAAYWSYBCUTBW-GRYCIOLGSA-N 0 3 348.321 2.607 10 5 EFBEHN C[C@@H]1[C@H](C(F)(F)F)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348249293 475523504 /nfs/dbraw/zinc/52/35/04/475523504.db2.gz WJNDHSSIFDROMD-MPKXVKKWSA-N 0 3 348.321 2.607 10 5 EFBEHN C[C@@H]1[C@H](C(F)(F)F)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348249296 475523643 /nfs/dbraw/zinc/52/36/43/475523643.db2.gz WJNDHSSIFDROMD-SCDSUCTJSA-N 0 3 348.321 2.607 10 5 EFBEHN CC(C)N(CCN1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000345894476 475540383 /nfs/dbraw/zinc/54/03/83/475540383.db2.gz XQACPUCNKHPKFW-UHFFFAOYSA-N 0 3 336.436 2.660 10 5 EFBEHN C[C@H](NCCC(=O)Nc1cc(N)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000342291080 475583392 /nfs/dbraw/zinc/58/33/92/475583392.db2.gz FJRRRINPCZOCQL-NSHDSACASA-N 0 3 346.362 2.996 10 5 EFBEHN COC(=O)COc1ccc(CN(C)C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000355042636 475619836 /nfs/dbraw/zinc/61/98/36/475619836.db2.gz SZNHUEBTZAZNLE-CQSZACIVSA-N 0 3 348.399 2.935 10 5 EFBEHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C2CC2)C1 ZINC000348428479 475661549 /nfs/dbraw/zinc/66/15/49/475661549.db2.gz OEQFTKUOUBQCAA-LBPRGKRZSA-N 0 3 338.795 2.949 10 5 EFBEHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](CO)c1cccnc1)CCC2 ZINC000348643818 475797651 /nfs/dbraw/zinc/79/76/51/475797651.db2.gz OWLXYRRFPBEGBN-MAUKXSAKSA-N 0 3 327.384 2.733 10 5 EFBEHN CC[C@@H](Cn1cncn1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000340508872 476073963 /nfs/dbraw/zinc/07/39/63/476073963.db2.gz QIDRSRJDBHKUEQ-LBPRGKRZSA-N 0 3 343.309 2.774 10 5 EFBEHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000340530495 476088496 /nfs/dbraw/zinc/08/84/96/476088496.db2.gz DHFSZSIUPDQLFC-SJWGOKEGSA-N 0 3 330.388 2.861 10 5 EFBEHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1n1cccn1 ZINC000340538923 476094644 /nfs/dbraw/zinc/09/46/44/476094644.db2.gz HDQXMGNJTWMGOV-KKBVYLPWSA-N 0 3 330.388 2.861 10 5 EFBEHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1n1cccn1 ZINC000340538927 476094966 /nfs/dbraw/zinc/09/49/66/476094966.db2.gz HDQXMGNJTWMGOV-VJUNAUMWSA-N 0 3 330.388 2.861 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC[C@H]2C)c1 ZINC000298504416 476117075 /nfs/dbraw/zinc/11/70/75/476117075.db2.gz QGFVPHNGLWRYMJ-GFCCVEGCSA-N 0 3 337.445 2.921 10 5 EFBEHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc3cc[nH]c3n2)n1 ZINC000353623694 476133907 /nfs/dbraw/zinc/13/39/07/476133907.db2.gz CBKZPLIWNHXCFG-CABCVRRESA-N 0 3 340.387 2.941 10 5 EFBEHN O=[N+]([O-])c1cc2c(ncnc2NCCCNCc2cccnc2)s1 ZINC000336882265 476173475 /nfs/dbraw/zinc/17/34/75/476173475.db2.gz VVYDJGAFDSUFKF-UHFFFAOYSA-N 0 3 344.400 2.586 10 5 EFBEHN CN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362358517 476192906 /nfs/dbraw/zinc/19/29/06/476192906.db2.gz KAAUGJFNTALQLD-AWEZNQCLSA-N 0 3 330.363 2.724 10 5 EFBEHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@H](N2CCCC2)C1 ZINC000344270900 476204439 /nfs/dbraw/zinc/20/44/39/476204439.db2.gz GGWMSBNHEFCIHH-HNNXBMFYSA-N 0 3 335.379 2.824 10 5 EFBEHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cccs1 ZINC000357219232 476294368 /nfs/dbraw/zinc/29/43/68/476294368.db2.gz JOZVDXKZOPMZTQ-IAQYHMDHSA-N 0 3 348.428 2.797 10 5 EFBEHN CN(C)CCOc1ccccc1-c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351142717 476346691 /nfs/dbraw/zinc/34/66/91/476346691.db2.gz FFEORSLIEZJWBE-UHFFFAOYSA-N 0 3 344.327 2.845 10 5 EFBEHN O=C1C[C@H]([C@H]2CCCCN2C/C=C/c2ccccc2[N+](=O)[O-])CN1 ZINC000360808534 476401614 /nfs/dbraw/zinc/40/16/14/476401614.db2.gz DQHDFBZDCOHPRR-HRNFOAQLSA-N 0 3 329.400 2.599 10 5 EFBEHN CN1CCC[C@@H](CNc2ccncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000360992149 476528861 /nfs/dbraw/zinc/52/88/61/476528861.db2.gz ZYEYNCHKBUAXQS-BLLLJJGKSA-N 0 3 332.429 2.968 10 5 EFBEHN C[C@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)N(C)C ZINC000357867898 476659650 /nfs/dbraw/zinc/65/96/50/476659650.db2.gz XFGSFNWOBAWWRU-UONOGXRCSA-N 0 3 348.447 2.511 10 5 EFBEHN CN(C[C@@H]1CCCN1C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000421711083 476690663 /nfs/dbraw/zinc/69/06/63/476690663.db2.gz NQTKTNXDTXTNFS-JTQLQIEISA-N 0 3 345.321 2.780 10 5 EFBEHN CC1=C[C@H](C)CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430284553 476802589 /nfs/dbraw/zinc/80/25/89/476802589.db2.gz MPJFDLHHMDBZBW-LBPRGKRZSA-N 0 3 331.372 2.791 10 5 EFBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446055056 476813434 /nfs/dbraw/zinc/81/34/34/476813434.db2.gz SGFAZXHDCUUSEG-GJZGRUSLSA-N 0 3 333.432 2.907 10 5 EFBEHN COc1cc(CNC(C)(C)CN2CCCC2)c([N+](=O)[O-])cc1F ZINC000452091500 476817279 /nfs/dbraw/zinc/81/72/79/476817279.db2.gz BZGNUTWQRLJAKT-UHFFFAOYSA-N 0 3 325.384 2.707 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000446315384 476860031 /nfs/dbraw/zinc/86/00/31/476860031.db2.gz IZVYEMGTWLMREY-JQWIXIFHSA-N 0 3 325.796 2.769 10 5 EFBEHN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000370581357 476881717 /nfs/dbraw/zinc/88/17/17/476881717.db2.gz CQBHPTJNASICAL-HNNXBMFYSA-N 0 3 338.367 2.615 10 5 EFBEHN CN(C)c1ncccc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542520 477009362 /nfs/dbraw/zinc/00/93/62/477009362.db2.gz JJQXMBNWFFTKBD-HUUCEWRRSA-N 0 3 344.419 2.526 10 5 EFBEHN O=[N+]([O-])c1ccccc1C[C@H](N[C@H]1CNCCC1(F)F)C1CC1 ZINC000423485810 477045063 /nfs/dbraw/zinc/04/50/63/477045063.db2.gz RWWFJUXQHKNTQW-ZFWWWQNUSA-N 0 3 325.359 2.503 10 5 EFBEHN CCOc1ccc([C@@H](C)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000423481893 477045188 /nfs/dbraw/zinc/04/51/88/477045188.db2.gz OQUSLWWJEVBTMY-YGRLFVJLSA-N 0 3 329.347 2.641 10 5 EFBEHN Cc1cc(OCC(=O)NCCN2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000431634933 477065739 /nfs/dbraw/zinc/06/57/39/477065739.db2.gz HZPLYKXJBDTRTC-GASCZTMLSA-N 0 3 349.431 2.661 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411416478 477227819 /nfs/dbraw/zinc/22/78/19/477227819.db2.gz ORLYFQOVZKTDDL-RRQGHBQHSA-N 0 3 331.416 2.689 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411969021 477399897 /nfs/dbraw/zinc/39/98/97/477399897.db2.gz PKZBSKBXLRWSRB-IFXJQAMLSA-N 0 3 339.395 2.785 10 5 EFBEHN CN(C)CCOc1ccc(CNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC000413071082 477499302 /nfs/dbraw/zinc/49/93/02/477499302.db2.gz FXWLAFQBAHZPSP-UHFFFAOYSA-N 0 3 334.351 2.681 10 5 EFBEHN COCCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413114516 477526353 /nfs/dbraw/zinc/52/63/53/477526353.db2.gz DVLFADPFOGGFAS-SNVBAGLBSA-N 0 3 348.325 2.531 10 5 EFBEHN COCCN1CCC[C@@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413116876 477528752 /nfs/dbraw/zinc/52/87/52/477528752.db2.gz ICPJNMGTJPUTDN-OAHLLOKOSA-N 0 3 330.388 2.666 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371865051 477533476 /nfs/dbraw/zinc/53/34/76/477533476.db2.gz RCMJFUBTHGAKTL-SJLPKXTDSA-N 0 3 344.415 2.725 10 5 EFBEHN C[C@H]1CN(Cc2ccccc2)CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000450807220 477724057 /nfs/dbraw/zinc/72/40/57/477724057.db2.gz GHCKQMDBSKRFAR-HNNXBMFYSA-N 0 3 326.400 2.948 10 5 EFBEHN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCN1Cc1ccccc1 ZINC000427979331 477797594 /nfs/dbraw/zinc/79/75/94/477797594.db2.gz HWYUWGNHSXEXFY-GOSISDBHSA-N 0 3 342.399 2.707 10 5 EFBEHN CN(C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(F)c1 ZINC000427980782 477799340 /nfs/dbraw/zinc/79/93/40/477799340.db2.gz CPZSWYXYVSDIOH-MRXNPFEDSA-N 0 3 343.362 2.747 10 5 EFBEHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000515469323 477828649 /nfs/dbraw/zinc/82/86/49/477828649.db2.gz JNSFJJJQQFTQJA-UKRRQHHQSA-N 0 3 330.432 2.932 10 5 EFBEHN CC(C)(C)C1CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000459478923 477925019 /nfs/dbraw/zinc/92/50/19/477925019.db2.gz HKOFAWMAKGAPGF-UHFFFAOYSA-N 0 3 340.445 2.783 10 5 EFBEHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000533600476 478105186 /nfs/dbraw/zinc/10/51/86/478105186.db2.gz QCNGEFINUVQGOQ-UHFFFAOYSA-N 0 3 342.399 2.630 10 5 EFBEHN CCO[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]1n1cccn1 ZINC000518562501 478178720 /nfs/dbraw/zinc/17/87/20/478178720.db2.gz JNDQVPVFAKSWOD-CWLKWCNXSA-N 0 3 342.399 2.787 10 5 EFBEHN CNc1c(C(=O)NC[C@H]2CCN2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600230005 478300500 /nfs/dbraw/zinc/30/05/00/478300500.db2.gz NPCXXLUDBPBHJD-CQSZACIVSA-N 0 3 346.431 2.773 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@@H]2CN)c1 ZINC000520588131 478326996 /nfs/dbraw/zinc/32/69/96/478326996.db2.gz HRNREEYRGCPIIE-KRWDZBQOSA-N 0 3 325.368 2.602 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600468224 478382529 /nfs/dbraw/zinc/38/25/29/478382529.db2.gz DZQKNBVDDQXEKE-CQSZACIVSA-N 0 3 347.415 2.740 10 5 EFBEHN CCc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000600474571 478384822 /nfs/dbraw/zinc/38/48/22/478384822.db2.gz YXWCJDJZTIQPBZ-INIZCTEOSA-N 0 3 331.416 2.904 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594596546 478455849 /nfs/dbraw/zinc/45/58/49/478455849.db2.gz AOCVVFYDKBPKJJ-DZGCQCFKSA-N 0 3 333.388 2.810 10 5 EFBEHN O=c1[nH]c(N[C@H]2CCCN3CCCC[C@@H]23)nc2ccc([N+](=O)[O-])cc21 ZINC000594597585 478457967 /nfs/dbraw/zinc/45/79/67/478457967.db2.gz DATVULJVPDKVSQ-GJZGRUSLSA-N 0 3 343.387 2.672 10 5 EFBEHN CN(C)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CC1 ZINC000570895281 478468971 /nfs/dbraw/zinc/46/89/71/478468971.db2.gz XSVUUUICKVTIGL-GOSISDBHSA-N 0 3 349.434 2.751 10 5 EFBEHN O=[N+]([O-])c1ccc(OC[C@H]2CNCCO2)c(Cc2ccccc2)c1 ZINC000594698569 478500571 /nfs/dbraw/zinc/50/05/71/478500571.db2.gz MKVKBMQLXHOSFA-QGZVFWFLSA-N 0 3 328.368 2.553 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@@H]2CC=CCC2)cc1 ZINC000600764211 478509454 /nfs/dbraw/zinc/50/94/54/478509454.db2.gz ZCUWPVHRUCIFKM-CQSZACIVSA-N 0 3 338.429 2.705 10 5 EFBEHN COc1cc(CN2C[C@@H](c3cnn(C)c3)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000571176540 478538830 /nfs/dbraw/zinc/53/88/30/478538830.db2.gz XBOXMDOOOGWSEF-HNNXBMFYSA-N 0 3 344.415 2.963 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000597857596 478543832 /nfs/dbraw/zinc/54/38/32/478543832.db2.gz GIBRCXBZSDFUKN-LLVKDONJSA-N 0 3 325.796 2.851 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000597857368 478544762 /nfs/dbraw/zinc/54/47/62/478544762.db2.gz FPYUHQOGIMQMHA-GFCCVEGCSA-N 0 3 330.388 2.679 10 5 EFBEHN Cn1cc(N2CCC[C@H](N[C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)cn1 ZINC000563418920 478554702 /nfs/dbraw/zinc/55/47/02/478554702.db2.gz ROWFEWINFZMGEF-SUMWQHHRSA-N 0 3 341.415 2.574 10 5 EFBEHN Cn1cc(N2CCC[C@@H](N[C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)cn1 ZINC000563418917 478554872 /nfs/dbraw/zinc/55/48/72/478554872.db2.gz ROWFEWINFZMGEF-CXAGYDPISA-N 0 3 341.415 2.574 10 5 EFBEHN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@@H]1CCN(C)C1 ZINC000597947592 478591903 /nfs/dbraw/zinc/59/19/03/478591903.db2.gz ZLKLSDLSMFNMEQ-CQSZACIVSA-N 0 3 335.404 2.548 10 5 EFBEHN C[C@H](NC(=O)CCN(C)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000541855713 478597371 /nfs/dbraw/zinc/59/73/71/478597371.db2.gz UVHUZZWVVDJWHX-ZDUSSCGKSA-N 0 3 328.372 2.694 10 5 EFBEHN COC[C@H](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OC ZINC000594956723 478604695 /nfs/dbraw/zinc/60/46/95/478604695.db2.gz ZMYBGCLYGGUDPO-INIZCTEOSA-N 0 3 334.372 2.996 10 5 EFBEHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594966396 478610402 /nfs/dbraw/zinc/61/04/02/478610402.db2.gz RGAAKBRPPFGCPK-XFJVYGCCSA-N 0 3 342.823 2.904 10 5 EFBEHN COc1cc(CNC[C@H]2CCN2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000594967807 478610533 /nfs/dbraw/zinc/61/05/33/478610533.db2.gz VQYXATILYSWWIG-CYBMUJFWSA-N 0 3 337.420 2.574 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1c(C)nn(C)c1C ZINC000595004528 478626055 /nfs/dbraw/zinc/62/60/55/478626055.db2.gz TVDWLRLZEFPPPR-LLVKDONJSA-N 0 3 332.404 2.847 10 5 EFBEHN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@H]1CCN(CC)C1 ZINC000598039444 478626720 /nfs/dbraw/zinc/62/67/20/478626720.db2.gz KBRAXVCPIDIGRU-HNNXBMFYSA-N 0 3 349.431 2.938 10 5 EFBEHN CCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(CC)C1 ZINC000598039454 478626892 /nfs/dbraw/zinc/62/68/92/478626892.db2.gz KDILLHOATUVEST-TZMCWYRMSA-N 0 3 337.395 2.780 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)Cc1ccccc1 ZINC000595011742 478627818 /nfs/dbraw/zinc/62/78/18/478627818.db2.gz MEFZJZINSOXVKM-CJNGLKHVSA-N 0 3 330.384 2.858 10 5 EFBEHN CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC)C1 ZINC000598041446 478629512 /nfs/dbraw/zinc/62/95/12/478629512.db2.gz MAOJMVCCXOYGLY-KRWDZBQOSA-N 0 3 348.447 2.730 10 5 EFBEHN CCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCN(CC)C1 ZINC000598044169 478630863 /nfs/dbraw/zinc/63/08/63/478630863.db2.gz ZALUSNYHJGCWOT-ZDUSSCGKSA-N 0 3 330.388 2.632 10 5 EFBEHN C[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1C ZINC000582585118 478635272 /nfs/dbraw/zinc/63/52/72/478635272.db2.gz CTAITBNREMAQBJ-ZIAGYGMSSA-N 0 3 349.434 2.894 10 5 EFBEHN C[C@H](N[C@H]1CCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595053639 478643969 /nfs/dbraw/zinc/64/39/69/478643969.db2.gz HORPGASKNSWZBE-JQWIXIFHSA-N 0 3 331.397 2.862 10 5 EFBEHN C[C@H](CN1CCCCC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601104064 478658140 /nfs/dbraw/zinc/65/81/40/478658140.db2.gz ODAQLNPOQDMDFB-SECBINFHSA-N 0 3 335.330 2.633 10 5 EFBEHN C[C@@H](N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595096907 478658176 /nfs/dbraw/zinc/65/81/76/478658176.db2.gz OGCYFGWRIVVPER-ZTFGCOKTSA-N 0 3 345.443 2.889 10 5 EFBEHN CC[C@@H](NCCN1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595105894 478662630 /nfs/dbraw/zinc/66/26/30/478662630.db2.gz UEMWWBKLBMPNBA-DLBZAZTESA-N 0 3 346.431 2.926 10 5 EFBEHN O=[N+]([O-])c1cnn(CCNCc2ccccc2CC(F)(F)F)c1 ZINC000601111443 478662628 /nfs/dbraw/zinc/66/26/28/478662628.db2.gz RBMCLKILXREIIB-UHFFFAOYSA-N 0 3 328.294 2.686 10 5 EFBEHN C[C@H](NCCN1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595108063 478663836 /nfs/dbraw/zinc/66/38/36/478663836.db2.gz ZCPYQAVUUIMOGZ-BBRMVZONSA-N 0 3 332.404 2.536 10 5 EFBEHN C[C@H](NCCN1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595108067 478664209 /nfs/dbraw/zinc/66/42/09/478664209.db2.gz ZCPYQAVUUIMOGZ-XJKSGUPXSA-N 0 3 332.404 2.536 10 5 EFBEHN CCN1CC[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H](C)C1 ZINC000601119819 478667615 /nfs/dbraw/zinc/66/76/15/478667615.db2.gz WSLJQEFEVXAIJK-UWVGGRQHSA-N 0 3 349.357 2.514 10 5 EFBEHN O=[N+]([O-])c1cc(F)cnc1NCC1CCN(c2ccncc2)CC1 ZINC000601137018 478679865 /nfs/dbraw/zinc/67/98/65/478679865.db2.gz PWEXAYGXYGYDHQ-UHFFFAOYSA-N 0 3 331.351 2.852 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CNc1cnn(C2CCN(C)CC2)c1 ZINC000601148569 478687832 /nfs/dbraw/zinc/68/78/32/478687832.db2.gz DDKXDPSYXJATEA-UHFFFAOYSA-N 0 3 329.404 2.979 10 5 EFBEHN Cn1ncc(Cl)c1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564122848 478696937 /nfs/dbraw/zinc/69/69/37/478696937.db2.gz BWPXVOJYNWLJTJ-UHFFFAOYSA-N 0 3 333.779 2.795 10 5 EFBEHN Cc1c(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cccc1[N+](=O)[O-] ZINC000595258666 478704476 /nfs/dbraw/zinc/70/44/76/478704476.db2.gz VSCXLDAWHUWLEH-KRWDZBQOSA-N 0 3 341.367 2.816 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595258034 478705159 /nfs/dbraw/zinc/70/51/59/478705159.db2.gz QTQQUXFTENSYIP-KRWDZBQOSA-N 0 3 341.367 2.816 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCCN2CCCC[C@H]12 ZINC000601190464 478714674 /nfs/dbraw/zinc/71/46/74/478714674.db2.gz ZGLSPESHTJSUOD-VHSXEESVSA-N 0 3 347.341 2.776 10 5 EFBEHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598263085 478732365 /nfs/dbraw/zinc/73/23/65/478732365.db2.gz PJNAXCCNUXXEHJ-ZDUSSCGKSA-N 0 3 344.415 2.926 10 5 EFBEHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CN2CCC1CC2 ZINC000601251052 478746559 /nfs/dbraw/zinc/74/65/59/478746559.db2.gz RMVHNTXHDHMECC-CQSZACIVSA-N 0 3 338.795 2.806 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOCC(=O)OC(C)(C)C ZINC000601294202 478769359 /nfs/dbraw/zinc/76/93/59/478769359.db2.gz LMEQUTUYPCZVRO-ZDUSSCGKSA-N 0 3 338.404 2.912 10 5 EFBEHN CC[C@@H](NCCc1nnn(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000595421097 478770177 /nfs/dbraw/zinc/77/01/77/478770177.db2.gz RIHPZFHNFFYLDS-CQSZACIVSA-N 0 3 332.408 2.620 10 5 EFBEHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CN(c3ccncn3)C1)CCCC2 ZINC000601303945 478776002 /nfs/dbraw/zinc/77/60/02/478776002.db2.gz LLSIRAPXKHOPFA-QGZVFWFLSA-N 0 3 339.399 2.631 10 5 EFBEHN O=[N+]([O-])c1ccccc1CN(C[C@@H]1CCCO1)[C@H]1CC[C@H](O)CC1 ZINC000592131008 478788952 /nfs/dbraw/zinc/78/89/52/478788952.db2.gz PDKBWAQRCJZWDI-ULQDDVLXSA-N 0 3 334.416 2.879 10 5 EFBEHN CCOc1cc(CN[C@@H]2C[C@@H](OCC)[C@H]2SC)ccc1[N+](=O)[O-] ZINC000592173377 478813790 /nfs/dbraw/zinc/81/37/90/478813790.db2.gz RBRDGMFQJUARIA-WQVCFCJDSA-N 0 3 340.445 2.992 10 5 EFBEHN Cn1cnc(CCCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000592373452 478872273 /nfs/dbraw/zinc/87/22/73/478872273.db2.gz PKMKLEZUEJUZPZ-UHFFFAOYSA-N 0 3 341.371 2.706 10 5 EFBEHN COc1cc(CN(C)[C@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000595591123 478872774 /nfs/dbraw/zinc/87/27/74/478872774.db2.gz DNWXRIYNPAWVCC-INIZCTEOSA-N 0 3 330.384 2.639 10 5 EFBEHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000595661477 478919587 /nfs/dbraw/zinc/91/95/87/478919587.db2.gz CCFLKSOEAMBIMZ-MRXNPFEDSA-N 0 3 348.447 2.652 10 5 EFBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000595664441 478922471 /nfs/dbraw/zinc/92/24/71/478922471.db2.gz YNBJHLMQBNJSKP-CQSZACIVSA-N 0 3 334.420 2.609 10 5 EFBEHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000595665556 478922497 /nfs/dbraw/zinc/92/24/97/478922497.db2.gz VSHQIZHHSZLNFX-OAHLLOKOSA-N 0 3 348.447 2.652 10 5 EFBEHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595768737 478985366 /nfs/dbraw/zinc/98/53/66/478985366.db2.gz GRYMZOWWVPERQX-CJNGLKHVSA-N 0 3 332.379 2.968 10 5 EFBEHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC(F)CC1 ZINC000595820260 479015137 /nfs/dbraw/zinc/01/51/37/479015137.db2.gz UAONHERGYBNHRJ-DNOWBOINSA-N 0 3 349.406 2.990 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCNC[C@H]3C(F)F)o2)cc1 ZINC000565539809 479030549 /nfs/dbraw/zinc/03/05/49/479030549.db2.gz UKCJMYRBLDBQSO-AWEZNQCLSA-N 0 3 337.326 2.894 10 5 EFBEHN O=C(CN(CCC1CC1)CC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595870765 479042580 /nfs/dbraw/zinc/04/25/80/479042580.db2.gz DRZGHRXEFJORPU-UHFFFAOYSA-N 0 3 343.427 2.996 10 5 EFBEHN Cc1ccc([N-]C(=O)c2cc(C3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000595925047 479075495 /nfs/dbraw/zinc/07/54/95/479075495.db2.gz TZSAQOALLNHKQM-UHFFFAOYSA-N 0 3 330.344 2.611 10 5 EFBEHN Nc1ccnc2c1CN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)CC2 ZINC000598942401 479093489 /nfs/dbraw/zinc/09/34/89/479093489.db2.gz LJVYQCIPYJBFRN-UHFFFAOYSA-N 0 3 339.277 2.549 10 5 EFBEHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1C1CCCCC1 ZINC000598966932 479106570 /nfs/dbraw/zinc/10/65/70/479106570.db2.gz MAECKWPCWWWCTR-KRWDZBQOSA-N 0 3 346.431 2.801 10 5 EFBEHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCN1C1CCCCC1 ZINC000598979129 479111925 /nfs/dbraw/zinc/11/19/25/479111925.db2.gz JVHWSOXEOBSPQR-QGZVFWFLSA-N 0 3 346.431 2.801 10 5 EFBEHN COc1ccc(CNC[C@@]2(C)COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000598985133 479115197 /nfs/dbraw/zinc/11/51/97/479115197.db2.gz JCAVSBBCLATRBX-SFHVURJKSA-N 0 3 344.367 2.923 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)[C@@H]3CCCO3)s2)cc1 ZINC000598990159 479116012 /nfs/dbraw/zinc/11/60/12/479116012.db2.gz IHJLRDZKEYCEFB-CVEARBPZSA-N 0 3 348.424 2.953 10 5 EFBEHN C[C@@H](O)[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066448 479116520 /nfs/dbraw/zinc/11/65/20/479116520.db2.gz DHHQDWUSQLJAMY-ACJLOTCBSA-N 0 3 343.383 2.635 10 5 EFBEHN CCc1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000592998349 479119296 /nfs/dbraw/zinc/11/92/96/479119296.db2.gz RHZDEUQQYDTALX-INIZCTEOSA-N 0 3 330.384 2.687 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1c2ccccc2C(=O)N1C ZINC000599000055 479120303 /nfs/dbraw/zinc/12/03/03/479120303.db2.gz RVJRSLLKPFNDDW-KRWDZBQOSA-N 0 3 325.368 2.820 10 5 EFBEHN COc1cc(CNC[C@@H]2CCN2C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000598999124 479120707 /nfs/dbraw/zinc/12/07/07/479120707.db2.gz JRENTJVVRBTMEG-HNNXBMFYSA-N 0 3 349.431 2.719 10 5 EFBEHN Cc1ccc(CNC[C@@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000598999451 479120959 /nfs/dbraw/zinc/12/09/59/479120959.db2.gz NCGBKGFXQPQEOH-QGZVFWFLSA-N 0 3 325.368 2.820 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000593025654 479131883 /nfs/dbraw/zinc/13/18/83/479131883.db2.gz PENMQDHZPZSMKB-CQSZACIVSA-N 0 3 336.388 2.817 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000593029591 479133633 /nfs/dbraw/zinc/13/36/33/479133633.db2.gz CRAXJOTUGCXTNM-IMJJTQAJSA-N 0 3 348.399 2.675 10 5 EFBEHN CN(C)CCn1cc(Nc2ccc3cnccc3c2[N+](=O)[O-])cn1 ZINC000599036749 479133613 /nfs/dbraw/zinc/13/36/13/479133613.db2.gz ULLSZPOXKRTUSE-UHFFFAOYSA-N 0 3 326.360 2.645 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)[C@](C)(OC)C2CC2)c1 ZINC000593035103 479136381 /nfs/dbraw/zinc/13/63/81/479136381.db2.gz XFUDHZWJMTVVCL-GTNSWQLSSA-N 0 3 336.388 2.675 10 5 EFBEHN CN(C)[C@]1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCSC1 ZINC000599052948 479139535 /nfs/dbraw/zinc/13/95/35/479139535.db2.gz CCOUXQIHYOEQKZ-INIZCTEOSA-N 0 3 332.429 2.992 10 5 EFBEHN COC(=O)c1c(Cl)c(NC[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000596119250 479150564 /nfs/dbraw/zinc/15/05/64/479150564.db2.gz MFVWBZFUSXECKN-SNVBAGLBSA-N 0 3 341.795 2.789 10 5 EFBEHN CN1CCOC[C@@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599082674 479153331 /nfs/dbraw/zinc/15/33/31/479153331.db2.gz XWZNJBRQKXJTHN-RBUKOAKNSA-N 0 3 341.411 2.604 10 5 EFBEHN COC(=O)c1c(Cl)c(N[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596146820 479163781 /nfs/dbraw/zinc/16/37/81/479163781.db2.gz QGJPAEBHWFQGSH-NXEZZACHSA-N 0 3 341.795 2.929 10 5 EFBEHN CNC(=O)c1ccc(NC[C@@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599127165 479170249 /nfs/dbraw/zinc/17/02/49/479170249.db2.gz QJZLBMGPEZZOMJ-HNNXBMFYSA-N 0 3 346.431 2.773 10 5 EFBEHN NC(=O)c1ccc(NC[C@@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599126422 479170417 /nfs/dbraw/zinc/17/04/17/479170417.db2.gz GXVMAYGFSOYTRE-AWEZNQCLSA-N 0 3 332.404 2.513 10 5 EFBEHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCN1C1CCCCC1 ZINC000599128018 479172123 /nfs/dbraw/zinc/17/21/23/479172123.db2.gz VLSLJJIMDKBACS-HNNXBMFYSA-N 0 3 346.431 2.773 10 5 EFBEHN CCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000596167397 479176069 /nfs/dbraw/zinc/17/60/69/479176069.db2.gz GNZCWGJLDZNATR-CJNGLKHVSA-N 0 3 334.420 2.782 10 5 EFBEHN CCOC(=O)c1ccnc(NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599164025 479190459 /nfs/dbraw/zinc/19/04/59/479190459.db2.gz HWMWZZCUWMOVQC-ZDUSSCGKSA-N 0 3 348.403 2.595 10 5 EFBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)n1 ZINC000593126437 479192750 /nfs/dbraw/zinc/19/27/50/479192750.db2.gz VGZAMEBMCPFWJJ-ULQDDVLXSA-N 0 3 342.399 2.786 10 5 EFBEHN CCC1(N2CCOCC2)CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000599183749 479200033 /nfs/dbraw/zinc/20/00/33/479200033.db2.gz SUUBLLWRNRIMBA-UHFFFAOYSA-N 0 3 349.431 2.685 10 5 EFBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000599207376 479210112 /nfs/dbraw/zinc/21/01/12/479210112.db2.gz ULOTWUXZTFNZDV-INIZCTEOSA-N 0 3 346.431 2.753 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000596307345 479247202 /nfs/dbraw/zinc/24/72/02/479247202.db2.gz KVKDYFCXJUKKEK-JTQLQIEISA-N 0 3 331.376 2.528 10 5 EFBEHN O=[N+]([O-])c1cc(F)ccc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596423632 479288416 /nfs/dbraw/zinc/28/84/16/479288416.db2.gz MZELQWBVSGYAIM-MRXNPFEDSA-N 0 3 345.374 2.913 10 5 EFBEHN O=[N+]([O-])c1sccc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596424989 479288646 /nfs/dbraw/zinc/28/86/46/479288646.db2.gz VYJOBRLKRHYGQA-CQSZACIVSA-N 0 3 333.413 2.835 10 5 EFBEHN O=[N+]([O-])c1cccc(F)c1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596424546 479288834 /nfs/dbraw/zinc/28/88/34/479288834.db2.gz RVGZYOSEEXROBN-OAHLLOKOSA-N 0 3 345.374 2.913 10 5 EFBEHN O=[N+]([O-])c1ccc([C@@H]2CCCN(CCOC3CCOCC3)C2)cc1 ZINC000599434292 479296749 /nfs/dbraw/zinc/29/67/49/479296749.db2.gz XGZLJWMKBSARBS-MRXNPFEDSA-N 0 3 334.416 2.970 10 5 EFBEHN CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000596453679 479300734 /nfs/dbraw/zinc/30/07/34/479300734.db2.gz JUXCXVBZFHBSDX-DZGCQCFKSA-N 0 3 334.420 2.700 10 5 EFBEHN Cc1c(NC(=O)CCN2CC[C@@H](C(F)F)C2)cccc1[N+](=O)[O-] ZINC000611179378 479303403 /nfs/dbraw/zinc/30/34/03/479303403.db2.gz CADRALRXBDZFBM-LLVKDONJSA-N 0 3 327.331 2.819 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000585717003 479315120 /nfs/dbraw/zinc/31/51/20/479315120.db2.gz SQMMAJGOJAUPRW-NVXWUHKLSA-N 0 3 333.432 2.843 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(CO)CCCC(C)(C)C1 ZINC000599596278 479346243 /nfs/dbraw/zinc/34/62/43/479346243.db2.gz QTXJDQCCBJQPDN-GOSISDBHSA-N 0 3 349.431 2.763 10 5 EFBEHN CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CCN(CC)C1 ZINC000596580352 479346482 /nfs/dbraw/zinc/34/64/82/479346482.db2.gz WEFJKNPLOKLFQO-OAHLLOKOSA-N 0 3 334.420 2.529 10 5 EFBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C)(N2CCOCC2)CC1 ZINC000599623803 479356952 /nfs/dbraw/zinc/35/69/52/479356952.db2.gz XNEHKAKLLAVMNH-OAHLLOKOSA-N 0 3 333.432 2.843 10 5 EFBEHN CCC1(N2CCOCC2)CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000599668108 479379774 /nfs/dbraw/zinc/37/97/74/479379774.db2.gz CRBMPOGPOZLKMK-UHFFFAOYSA-N 0 3 347.459 2.980 10 5 EFBEHN CCC1(N2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599669499 479381317 /nfs/dbraw/zinc/38/13/17/479381317.db2.gz NEXINSNUCZUJBQ-UHFFFAOYSA-N 0 3 333.432 2.672 10 5 EFBEHN CCC1(N2CCOCC2)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599670120 479381451 /nfs/dbraw/zinc/38/14/51/479381451.db2.gz SQRFIEAKZGOWNV-UHFFFAOYSA-N 0 3 347.459 2.714 10 5 EFBEHN COc1cc(CN2CCc3ccc(O)cc3CC2)ccc1[N+](=O)[O-] ZINC000611516682 479402583 /nfs/dbraw/zinc/40/25/83/479402583.db2.gz SHGGDBVXQSTCBH-UHFFFAOYSA-N 0 3 328.368 2.910 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](NCCCn2cncn2)c2ccccc2)c1 ZINC000611521322 479403534 /nfs/dbraw/zinc/40/35/34/479403534.db2.gz BIBRTDOPWHFFQO-SFHVURJKSA-N 0 3 337.383 2.956 10 5 EFBEHN Cc1ccc(CNC[C@@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593652860 479413575 /nfs/dbraw/zinc/41/35/75/479413575.db2.gz NIOGGFBXPKFUNB-LJQANCHMSA-N 0 3 326.396 2.869 10 5 EFBEHN Cn1c(=O)ccc2c1CCC[C@H]2NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000593694950 479424782 /nfs/dbraw/zinc/42/47/82/479424782.db2.gz UWYUUEQPZCTUFT-GMNBZTITSA-N 0 3 339.395 2.974 10 5 EFBEHN CN1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829843 479442372 /nfs/dbraw/zinc/44/23/72/479442372.db2.gz MSNUKFLVBYSELX-GFCCVEGCSA-N 0 3 343.387 2.606 10 5 EFBEHN CCCN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599834928 479445715 /nfs/dbraw/zinc/44/57/15/479445715.db2.gz PJSJRZSGFZLEFP-LBPRGKRZSA-N 0 3 343.387 2.749 10 5 EFBEHN COc1ccc(NC(=O)NC[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000596833072 479446717 /nfs/dbraw/zinc/44/67/17/479446717.db2.gz VTLYGXSJALNXIK-LBPRGKRZSA-N 0 3 336.392 2.598 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(CCO)(CCO)CC1 ZINC000602734073 479515019 /nfs/dbraw/zinc/51/50/19/479515019.db2.gz XUXBLIAIDPLPQW-SSZFMOIBSA-N 0 3 348.443 2.845 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C2CCC(OC)CC2)c1 ZINC000589500110 479533660 /nfs/dbraw/zinc/53/36/60/479533660.db2.gz XROGFEAMEIFHPQ-UHFFFAOYSA-N 0 3 336.388 2.771 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000589506879 479535105 /nfs/dbraw/zinc/53/51/05/479535105.db2.gz YVFMBLVGPBOEFM-WMLDXEAASA-N 0 3 336.388 2.675 10 5 EFBEHN CCO[C@@H]1C[C@@H](NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000589506626 479536149 /nfs/dbraw/zinc/53/61/49/479536149.db2.gz LIJVGEADNALDKG-HZPDHXFCSA-N 0 3 348.399 2.819 10 5 EFBEHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCCO1 ZINC000594045729 479566132 /nfs/dbraw/zinc/56/61/32/479566132.db2.gz YZRONQRCQWLGJB-GDBMZVCRSA-N 0 3 335.404 2.779 10 5 EFBEHN CN1C[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000590183925 479614794 /nfs/dbraw/zinc/61/47/94/479614794.db2.gz DWIPWEVYHVRPCK-QMTHXVAHSA-N 0 3 329.322 2.750 10 5 EFBEHN CC(C)NC(=O)[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597231099 479632957 /nfs/dbraw/zinc/63/29/57/479632957.db2.gz IJIIFDHXXJQTJU-WHWKNOJMSA-N 0 3 331.416 2.845 10 5 EFBEHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590445860 479649359 /nfs/dbraw/zinc/64/93/59/479649359.db2.gz TXOBBBMJRXDKIV-IUODEOHRSA-N 0 3 349.456 2.873 10 5 EFBEHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590445869 479649541 /nfs/dbraw/zinc/64/95/41/479649541.db2.gz TXOBBBMJRXDKIV-WFASDCNBSA-N 0 3 349.456 2.873 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cnn(CCN(C)C)c1 ZINC000615720716 479743805 /nfs/dbraw/zinc/74/38/05/479743805.db2.gz UPSQDLQYMMELHO-ZROIWOOFSA-N 0 3 329.404 2.868 10 5 EFBEHN COC[C@](C)(CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000610518982 480328381 /nfs/dbraw/zinc/32/83/81/480328381.db2.gz KVLXWRPNGPVSGZ-INIZCTEOSA-N 0 3 336.413 2.810 10 5 EFBEHN CCN1CCC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000119610489 521620099 /nfs/dbraw/zinc/62/00/99/521620099.db2.gz IBVSAUZHNMZLNY-MRXNPFEDSA-N 0 3 348.447 2.701 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000176967059 521627524 /nfs/dbraw/zinc/62/75/24/521627524.db2.gz HZZUYGFMDYKZIB-QGZVFWFLSA-N 0 3 348.447 2.730 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000177044464 521652517 /nfs/dbraw/zinc/65/25/17/521652517.db2.gz FHWDKQUFPATRLH-ZDUSSCGKSA-N 0 3 325.796 2.805 10 5 EFBEHN CN(C)C[C@@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000061655918 521843101 /nfs/dbraw/zinc/84/31/01/521843101.db2.gz RSLLOOOJVLHLAG-NSHDSACASA-N 0 3 328.210 2.888 10 5 EFBEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000180614299 522531522 /nfs/dbraw/zinc/53/15/22/522531522.db2.gz XNRUPOCJXYKSMC-QWHCGFSZSA-N 0 3 329.404 2.723 10 5 EFBEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000180611278 522532202 /nfs/dbraw/zinc/53/22/02/522532202.db2.gz YJWCUCKBQBMVFL-TZMCWYRMSA-N 0 3 329.404 2.723 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000068121764 524106637 /nfs/dbraw/zinc/10/66/37/524106637.db2.gz XJMBWIAGCMPMFH-OAHLLOKOSA-N 0 3 348.447 2.778 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000179790419 524335799 /nfs/dbraw/zinc/33/57/99/524335799.db2.gz KDOVUTCLZBRITH-DZGCQCFKSA-N 0 3 333.432 2.979 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000245439623 525454756 /nfs/dbraw/zinc/45/47/56/525454756.db2.gz FYCSMEFTBHFUIN-HIFRSBDPSA-N 0 3 347.415 2.691 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245430997 526084669 /nfs/dbraw/zinc/08/46/69/526084669.db2.gz NVFAKEDLWBSHKP-VQIMIIECSA-N 0 3 346.475 2.758 10 5 EFBEHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccn[nH]2)CC1 ZINC000195506356 526145252 /nfs/dbraw/zinc/14/52/52/526145252.db2.gz RBTPCJNEDRBMOK-GFCCVEGCSA-N 0 3 343.387 2.525 10 5 EFBEHN CC(C)(NC(=O)NC[C@@H](N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000418433578 535224843 /nfs/dbraw/zinc/22/48/43/535224843.db2.gz UHTIIDMCJOXGQP-MRXNPFEDSA-N 0 3 342.399 2.829 10 5 EFBEHN CC[C@@H]1C[C@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000357003001 535898255 /nfs/dbraw/zinc/89/82/55/535898255.db2.gz ZFWJILFUNJLWIH-CRAIPNDOSA-N 0 3 333.432 2.922 10 5 EFBEHN COC(=O)c1ccc(OCc2ccc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000593013898 546378069 /nfs/dbraw/zinc/37/80/69/546378069.db2.gz XPOUAUOPWGBYCC-UHFFFAOYSA-N 0 3 342.351 2.606 10 5 EFBEHN CC(C)C(=O)N1CCC(NCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761520351 576174077 /nfs/dbraw/zinc/17/40/77/576174077.db2.gz BUFSZGNIJRNMNT-UHFFFAOYSA-N 0 3 339.823 2.985 10 5 EFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCCCC1 ZINC000755009508 575529646 /nfs/dbraw/zinc/52/96/46/575529646.db2.gz CZIYGQCVAHMYIM-PFONDFGASA-N 0 3 331.416 2.990 10 5 EFBEHN COC(=O)/C=C\c1ccc(N[C@@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000757795579 575853126 /nfs/dbraw/zinc/85/31/26/575853126.db2.gz RCQGWAFMMOYAKE-ZNBMNBLBSA-N 0 3 345.399 2.676 10 5 EFBEHN COC(=O)/C=C\c1ccc(N[C@@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000757795577 575853183 /nfs/dbraw/zinc/85/31/83/575853183.db2.gz RCQGWAFMMOYAKE-YKHQIWRUSA-N 0 3 345.399 2.676 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](CCO)C2CCOCC2)c1 ZINC000763465699 576378425 /nfs/dbraw/zinc/37/84/25/576378425.db2.gz CDYVBSPRCBBKIP-OAHLLOKOSA-N 0 3 328.796 2.515 10 5 EFBEHN Cc1csc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001691310062 1248643974 /nfs/dbraw/zinc/64/39/74/1248643974.db2.gz HZCYKMQFCGLXGI-UHFFFAOYSA-N 0 3 333.413 2.827 10 5 EFBEHN Cc1cc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)ccc1F ZINC001691457254 1249165680 /nfs/dbraw/zinc/16/56/80/1249165680.db2.gz YPDHAMAMCOLQGP-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN COc1ccc(CNC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922458430 1266074869 /nfs/dbraw/zinc/07/48/69/1266074869.db2.gz PHRVQMVTRBKAPJ-GXFFZTMASA-N 0 3 334.294 2.803 10 5 EFBEHN COc1ccc(CNC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922458428 1266075271 /nfs/dbraw/zinc/07/52/71/1266075271.db2.gz PHRVQMVTRBKAPJ-GWCFXTLKSA-N 0 3 334.294 2.803 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(OC(C)C)CCOC1 ZINC000922612061 1266458734 /nfs/dbraw/zinc/45/87/34/1266458734.db2.gz UIUZXAYPVBWYCX-QGZVFWFLSA-N 0 3 338.404 2.667 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@H](N(C)C)C(F)(F)F ZINC000922754582 1266737712 /nfs/dbraw/zinc/73/77/12/1266737712.db2.gz YZPLFDBWLCBIRB-CQSZACIVSA-N 0 3 349.353 2.966 10 5 EFBEHN COc1cc(Cc2noc([C@H]3CC[C@H](C4CC4)N3)n2)ccc1[N+](=O)[O-] ZINC000844912424 1279360211 /nfs/dbraw/zinc/36/02/11/1279360211.db2.gz GBSIDZBVMDIAPL-CHWSQXEVSA-N 0 3 344.371 2.780 10 5 EFBEHN Cn1ncc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1Cl ZINC000815140590 1287342941 /nfs/dbraw/zinc/34/29/41/1287342941.db2.gz CEEBQAZLUXTOFJ-UHFFFAOYSA-N 0 3 333.779 2.795 10 5 EFBEHN COCc1nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])co1 ZINC000845873192 1279900872 /nfs/dbraw/zinc/90/08/72/1279900872.db2.gz BWZSTGSWWUQNLE-OTYXRUKQSA-N 0 3 338.291 2.523 10 5 EFBEHN C[C@H](N[C@@H](CCO)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062015 1287416993 /nfs/dbraw/zinc/41/69/93/1287416993.db2.gz JGHMDYGEMDSFTQ-FZMZJTMJSA-N 0 3 326.368 2.562 10 5 EFBEHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)[C@H]1CCCO1 ZINC000872089065 1287425604 /nfs/dbraw/zinc/42/56/04/1287425604.db2.gz YUODWOPBZOBNAI-LEWSCRJBSA-N 0 3 326.418 2.507 10 5 EFBEHN C[C@@H](NCC1(C2(O)CCC2)CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001176051087 1287686803 /nfs/dbraw/zinc/68/68/03/1287686803.db2.gz BNRLVGODLVKIGC-CYBMUJFWSA-N 0 3 347.415 2.597 10 5 EFBEHN O=[N+]([O-])c1ccc2cnn(CN3CCC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000747828699 1285556462 /nfs/dbraw/zinc/55/64/62/1285556462.db2.gz HPGFWKCZLQXIGS-CABCVRRESA-N 0 3 330.388 2.651 10 5 EFBEHN CC(COC(=O)CCCOc1ccccc1Br)[N+](=O)[O-] ZINC000813105013 1285654196 /nfs/dbraw/zinc/65/41/96/1285654196.db2.gz JCZFKBHGBFNEAR-JTQLQIEISA-N 0 3 346.177 2.817 10 5 EFBEHN CC(COC(=O)COc1ccccc1OCc1ccccc1)[N+](=O)[O-] ZINC000813102293 1285654455 /nfs/dbraw/zinc/65/44/55/1285654455.db2.gz DIYGAWMLUINODN-AWEZNQCLSA-N 0 3 345.351 2.853 10 5 EFBEHN COc1cc(Br)ccc1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813108888 1285680199 /nfs/dbraw/zinc/68/01/99/1285680199.db2.gz BQEJSLNARWFBBR-SECBINFHSA-N 0 3 346.177 2.599 10 5 EFBEHN CC(COC(=O)C(C)(C)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813109524 1285682221 /nfs/dbraw/zinc/68/22/21/1285682221.db2.gz KPFIBBAXKQVWOG-SECBINFHSA-N 0 3 330.178 2.935 10 5 EFBEHN CC(COC(=O)CN(Cc1ccccc1)Cc1ccccc1)[N+](=O)[O-] ZINC000813110630 1285682559 /nfs/dbraw/zinc/68/25/59/1285682559.db2.gz FYWWTNXITBRTEL-INIZCTEOSA-N 0 3 342.395 2.897 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCCN1CC ZINC001136754869 1289394307 /nfs/dbraw/zinc/39/43/07/1289394307.db2.gz GTXLLWVBFFTFMF-CYBMUJFWSA-N 0 3 335.404 2.598 10 5 EFBEHN CN(CCCN(C)C(=O)c1ccsn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001273530042 1291034169 /nfs/dbraw/zinc/03/41/69/1291034169.db2.gz NVYTUHDEHOMJJA-UHFFFAOYSA-N 0 3 348.428 2.645 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(F)F ZINC001273605196 1292256122 /nfs/dbraw/zinc/25/61/22/1292256122.db2.gz QQZWIYRNNAYKLR-UHFFFAOYSA-N 0 3 343.374 2.824 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCC[C@]12CCCO2 ZINC000880509253 1292523155 /nfs/dbraw/zinc/52/31/55/1292523155.db2.gz YSGXVJLBCVKHBW-WBVHZDCISA-N 0 3 333.388 2.533 10 5 EFBEHN CN(CCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001196907296 1294410981 /nfs/dbraw/zinc/41/09/81/1294410981.db2.gz KMBFURFHARUDIC-IBGZPJMESA-N 0 3 343.427 2.918 10 5 EFBEHN COC(=O)N1CCC[C@@H]([C@@H](C)NCc2c(F)cccc2[N+](=O)[O-])C1 ZINC000775818392 1294874478 /nfs/dbraw/zinc/87/44/78/1294874478.db2.gz XFKORQBKQVNJPH-VXGBXAGGSA-N 0 3 339.367 2.690 10 5 EFBEHN COC(=O)N1CCC[C@H]([C@@H](C)NCc2c(F)cccc2[N+](=O)[O-])C1 ZINC000775818389 1294875270 /nfs/dbraw/zinc/87/52/70/1294875270.db2.gz XFKORQBKQVNJPH-NEPJUHHUSA-N 0 3 339.367 2.690 10 5 EFBEHN O=C(/C=C/c1ccco1)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001273804822 1295919855 /nfs/dbraw/zinc/91/98/55/1295919855.db2.gz KVRINSKVQSHAMY-ACZSGTDVSA-N 0 3 341.367 2.663 10 5 EFBEHN C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C ZINC000925341609 1296829296 /nfs/dbraw/zinc/82/92/96/1296829296.db2.gz PHOCPZOFSMJEDX-KMFMINBZSA-N 0 3 346.431 2.576 10 5 EFBEHN Cc1c([C@H](C)NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cccc1[N+](=O)[O-] ZINC000927041427 1296980976 /nfs/dbraw/zinc/98/09/76/1296980976.db2.gz OHQQZWIIPIRMTI-FUDCBSFHSA-N 0 3 338.429 2.662 10 5 EFBEHN O=[N+]([O-])c1ccc(CN(C[C@H](O)CCC2(O)CCC2)C2CC2)cc1 ZINC000930140944 1297240542 /nfs/dbraw/zinc/24/05/42/1297240542.db2.gz LOQKVRISACBIIW-QGZVFWFLSA-N 0 3 334.416 2.615 10 5 EFBEHN COc1cc(CN(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000776274493 1297340140 /nfs/dbraw/zinc/34/01/40/1297340140.db2.gz DJZNMRHPOVYUDQ-SFHVURJKSA-N 0 3 346.383 2.777 10 5 EFBEHN CN(CCCNC(=O)C1CC2(CC2)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001490249788 1298675125 /nfs/dbraw/zinc/67/51/25/1298675125.db2.gz RPRIEUAYCFYFLO-UHFFFAOYSA-N 0 3 331.416 2.723 10 5 EFBEHN CCN(CCCNC(=O)c1oncc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001490355475 1298833421 /nfs/dbraw/zinc/83/34/21/1298833421.db2.gz SRICCXSDAIJNAR-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN CCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000854184842 1300464342 /nfs/dbraw/zinc/46/43/42/1300464342.db2.gz JOHNAKUXSAGRFY-LLVKDONJSA-N 0 3 326.784 2.806 10 5 EFBEHN COc1ccc([C@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000859632709 1301513583 /nfs/dbraw/zinc/51/35/83/1301513583.db2.gz FVYLPQDOOHZJEP-YVEFUNNKSA-N 0 3 346.383 2.996 10 5 EFBEHN COCCN1CCC[C@H]1COC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000861036171 1301994692 /nfs/dbraw/zinc/99/46/92/1301994692.db2.gz WIQVWDZERNEKJG-AINHQSCGSA-N 0 3 348.399 2.652 10 5 EFBEHN COc1cc(C[NH2+]C[C@H]2c3ccccc3CN2C)c([N+](=O)[O-])cc1[O-] ZINC000865805889 1303410216 /nfs/dbraw/zinc/41/02/16/1303410216.db2.gz CSPBHPYEQLTSOO-INIZCTEOSA-N 0 3 343.383 2.585 10 5 EFBEHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccnc(F)c1 ZINC000866474468 1303655780 /nfs/dbraw/zinc/65/57/80/1303655780.db2.gz PMBCMPPATXKTPX-LLVKDONJSA-N 0 3 332.335 2.636 10 5 EFBEHN CC1(C)[C@H](N)c2ccccc2N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000867989996 1304062925 /nfs/dbraw/zinc/06/29/25/1304062925.db2.gz RMBYKQDESDCVIU-QGZVFWFLSA-N 0 3 341.367 2.799 10 5 EFBEHN Cc1ccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000868544438 1304348220 /nfs/dbraw/zinc/34/82/20/1304348220.db2.gz DUTBDYHDOGLPDI-INIZCTEOSA-N 0 3 346.431 2.719 10 5 EFBEHN CN1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000871158284 1305851811 /nfs/dbraw/zinc/85/18/11/1305851811.db2.gz WHRNQYVGLNXFFO-UHFFFAOYSA-N 0 3 333.432 2.815 10 5 EFBEHN CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000900662868 1308491280 /nfs/dbraw/zinc/49/12/80/1308491280.db2.gz AWKILRVBVZXTKW-NSHDSACASA-N 0 3 341.770 2.696 10 5 EFBEHN CC(C)[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC001163729268 1312373853 /nfs/dbraw/zinc/37/38/53/1312373853.db2.gz SMJYRXBOQULHEV-QGZVFWFLSA-N 0 3 343.431 2.675 10 5 EFBEHN CC[C@H](NC(=O)NC[C@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC001231412083 1312492240 /nfs/dbraw/zinc/49/22/40/1312492240.db2.gz OHYQCDOWORCCHT-CVEARBPZSA-N 0 3 334.420 2.829 10 5 EFBEHN CC/C=C(/C)C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001264386081 1316610599 /nfs/dbraw/zinc/61/05/99/1316610599.db2.gz VVIBZUIKXCHEAY-PTVMMFFMSA-N 0 3 331.416 2.936 10 5 EFBEHN O=C(NCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCC1 ZINC001265150782 1316739481 /nfs/dbraw/zinc/73/94/81/1316739481.db2.gz LFVVRNYBFQIXPQ-UHFFFAOYSA-N 0 3 331.416 2.866 10 5 EFBEHN O=C(CCCC1CC1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001265491999 1316813213 /nfs/dbraw/zinc/81/32/13/1316813213.db2.gz IMSCRRIYUQRSOC-WKILWMFISA-N 0 3 331.416 2.912 10 5 EFBEHN CCN(CCCNC(=O)C(C)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001266013893 1316952373 /nfs/dbraw/zinc/95/23/73/1316952373.db2.gz OQCHNGGKRZIIGN-UHFFFAOYSA-N 0 3 329.347 2.578 10 5 EFBEHN CCN(CCCNC(=O)c1coc(C)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266035385 1316965589 /nfs/dbraw/zinc/96/55/89/1316965589.db2.gz HLHLEYUJCQCEOR-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN CC(C)c1nnc(CC2CCN(Cc3cccnc3[N+](=O)[O-])CC2)[nH]1 ZINC001307889008 1324784448 /nfs/dbraw/zinc/78/44/48/1324784448.db2.gz CLCXFXGXTGINNJ-UHFFFAOYSA-N 0 3 344.419 2.686 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1Cc2c[nH]nc2[C@H](C)C1 ZINC001307989092 1324788432 /nfs/dbraw/zinc/78/84/32/1324788432.db2.gz PHTIHMVAGOJOCX-GFCCVEGCSA-N 0 3 343.387 2.574 10 5 EFBEHN Cc1cc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001317625803 1328207380 /nfs/dbraw/zinc/20/73/80/1328207380.db2.gz FZMXCWZMARHZMI-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cccc(F)c1 ZINC001317661918 1328252253 /nfs/dbraw/zinc/25/22/53/1328252253.db2.gz ZUBMCSKOILFOHK-UHFFFAOYSA-N 0 3 345.374 2.525 10 5 EFBEHN Cc1occc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001322403478 1329455933 /nfs/dbraw/zinc/45/59/33/1329455933.db2.gz RLAKQSGUUXZYQE-UHFFFAOYSA-N 0 3 331.372 2.748 10 5 EFBEHN C/C(=C/C(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001326571733 1330319398 /nfs/dbraw/zinc/31/93/98/1330319398.db2.gz AQUXSOQUPYHNNW-ADVGAGMGSA-N 0 3 343.427 2.941 10 5 EFBEHN CN(CCCN(C)C(=O)c1cc(F)c[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001327238463 1330445316 /nfs/dbraw/zinc/44/53/16/1330445316.db2.gz GJSXZKMNWSSQAW-UHFFFAOYSA-N 0 3 348.378 2.656 10 5 EFBEHN CN1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccccc34)[C@@H]2C1 ZINC001350245707 1333053117 /nfs/dbraw/zinc/05/31/17/1333053117.db2.gz KPKVQIVOZCZDOC-SJKOYZFVSA-N 0 3 340.383 2.916 10 5 EFBEHN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCC[C@H]1C1CC1 ZINC000848476338 1334735590 /nfs/dbraw/zinc/73/55/90/1334735590.db2.gz ABGRVJOSFRDANZ-SJORKVTESA-N 0 3 329.400 2.743 10 5 EFBEHN CN(CC1CCCC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848476523 1334736385 /nfs/dbraw/zinc/73/63/85/1334736385.db2.gz ANQYWTNVWJJNSB-KRWDZBQOSA-N 0 3 331.416 2.990 10 5 EFBEHN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@H](C2CC2)C1 ZINC000848483024 1334739026 /nfs/dbraw/zinc/73/90/26/1334739026.db2.gz XNUREJIBKSVXLD-DOTOQJQBSA-N 0 3 329.400 2.600 10 5 EFBEHN COc1ccccc1[C@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848523337 1334772082 /nfs/dbraw/zinc/77/20/82/1334772082.db2.gz AINXDLDKGPHDDT-NVXWUHKLSA-N 0 3 328.368 2.914 10 5 EFBEHN O=C1O[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848570533 1334799433 /nfs/dbraw/zinc/79/94/33/1334799433.db2.gz MAHNWYFUHTWVBU-GOEBONIOSA-N 0 3 331.372 2.545 10 5 EFBEHN O=C1O[C@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848571659 1334800871 /nfs/dbraw/zinc/80/08/71/1334800871.db2.gz GGDZROASMQVFTP-WBVHZDCISA-N 0 3 345.399 2.935 10 5 EFBEHN COc1ccc([C@@H](CNc2nn(C)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC001458053839 1395400642 /nfs/dbraw/zinc/40/06/42/1395400642.db2.gz MJULLDAVGBNPAE-OAHLLOKOSA-N 0 3 345.403 2.586 10 5 EFBEHN CC(C)C1CCC(N2CCN(c3c([N+](=O)[O-])cnn3C)CC2)CC1 ZINC001458236345 1395428260 /nfs/dbraw/zinc/42/82/60/1395428260.db2.gz XMOUPXWXOJNRJK-UHFFFAOYSA-N 0 3 335.452 2.665 10 5 EFBEHN CCCN1CCC[C@H]1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001458373871 1395454908 /nfs/dbraw/zinc/45/49/08/1395454908.db2.gz ZVTMHRVGMPBTKR-ZDUSSCGKSA-N 0 3 344.415 2.733 10 5 EFBEHN CC(C)[C@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CCN1C ZINC001458547779 1395494800 /nfs/dbraw/zinc/49/48/00/1395494800.db2.gz PHKVOPZKJQVPHF-CQSZACIVSA-N 0 3 349.822 2.968 10 5 EFBEHN C[C@@H](NCCC(=O)Nc1cc(N)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001460752464 1396251842 /nfs/dbraw/zinc/25/18/42/1396251842.db2.gz DDZUQZUIUMEAKH-LLVKDONJSA-N 0 3 346.362 2.996 10 5 EFBEHN C[C@H]1Cc2n[nH]cc2CN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001460776242 1396254051 /nfs/dbraw/zinc/25/40/51/1396254051.db2.gz DFZMZHGGOSXDGD-ZDUSSCGKSA-N 0 3 330.388 2.781 10 5 EFBEHN C[C@@H](NCC1(C2(O)CCC2)CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001473786729 1397331852 /nfs/dbraw/zinc/33/18/52/1397331852.db2.gz JKVPCWPIGSFNHE-CYBMUJFWSA-N 0 3 347.415 2.597 10 5 EFBEHN Cc1coc(C)c1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001493532991 1398743858 /nfs/dbraw/zinc/74/38/58/1398743858.db2.gz FIFUMCHQAOBGDY-UHFFFAOYSA-N 0 3 331.372 2.666 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccoc1C1CC1 ZINC001493668651 1398796596 /nfs/dbraw/zinc/79/65/96/1398796596.db2.gz HHRPAUALOOIRSG-UHFFFAOYSA-N 0 3 343.383 2.927 10 5 EFBEHN Cc1cc(F)cc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001493705968 1398822589 /nfs/dbraw/zinc/82/25/89/1398822589.db2.gz VVAOESNZFDMUQD-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN CC(C)c1ocnc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001493754326 1398864621 /nfs/dbraw/zinc/86/46/21/1398864621.db2.gz BVYMQNYCLYRHMF-UHFFFAOYSA-N 0 3 346.387 2.568 10 5 EFBEHN C/C(=C\C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001497534399 1401441273 /nfs/dbraw/zinc/44/12/73/1401441273.db2.gz ATKVFXXVRCOQMC-QCKQRSCRSA-N 0 3 329.400 2.713 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)[nH]1 ZINC001497674581 1401540791 /nfs/dbraw/zinc/54/07/91/1401540791.db2.gz VTKSOYCMZRVTFI-OWOJBTEDSA-N 0 3 348.790 2.652 10 5 EFBEHN Cc1ccoc1C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001501914060 1403873185 /nfs/dbraw/zinc/87/31/85/1403873185.db2.gz IMYQODIWAIODLK-UHFFFAOYSA-N 0 3 343.383 2.939 10 5 EFBEHN CN(C)Cc1ccccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001556764932 1415087051 /nfs/dbraw/zinc/08/70/51/1415087051.db2.gz CSDFHWPAMTYUHH-UHFFFAOYSA-N 0 3 331.347 2.977 10 5 EFBEHN O=[N+]([O-])c1cnccc1N1CCN(c2ccnc3ccccc32)CC1 ZINC001559226914 1415231485 /nfs/dbraw/zinc/23/14/85/1415231485.db2.gz WTVPXCVFJCPNNB-UHFFFAOYSA-N 0 3 335.367 2.865 10 5 EFBEHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001559686428 1415253179 /nfs/dbraw/zinc/25/31/79/1415253179.db2.gz CBCQUEFBOUZYQV-NSHDSACASA-N 0 3 333.348 2.667 10 5 EFBEHN CCC(O)(CC)C(C)(C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001560088943 1415262996 /nfs/dbraw/zinc/26/29/96/1415262996.db2.gz XOZBFFCMRWMGSY-UHFFFAOYSA-N 0 3 325.365 2.922 10 5 EFBEHN CC[C@@H](NC(=O)NC[C@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC001564376601 1415375973 /nfs/dbraw/zinc/37/59/73/1415375973.db2.gz OHYQCDOWORCCHT-HZPDHXFCSA-N 0 3 334.420 2.829 10 5 EFBEHN CCN(CCCNC(=O)C(C)(C)F)Cc1cccc([N+](=O)[O-])c1 ZINC001689914120 1417093955 /nfs/dbraw/zinc/09/39/55/1417093955.db2.gz BFPKWDGNBOVJBM-UHFFFAOYSA-N 0 3 325.384 2.671 10 5 EFBEHN Cc1cc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001713571004 1418557537 /nfs/dbraw/zinc/55/75/37/1418557537.db2.gz HXPSWNPQLHOIAQ-UHFFFAOYSA-N 0 3 331.372 2.666 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C(F)=C1CCCC1 ZINC001713584243 1418561799 /nfs/dbraw/zinc/56/17/99/1418561799.db2.gz ZGZMTHROBCCXNO-UHFFFAOYSA-N 0 3 335.379 2.940 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CC1CC(C)(C)C1 ZINC001714749615 1418623780 /nfs/dbraw/zinc/62/37/80/1418623780.db2.gz RWJSPITUBKUSGB-UHFFFAOYSA-N 0 3 333.432 2.969 10 5 EFBEHN CC1(C(=O)NCC2(NCc3cccc([N+](=O)[O-])c3)CCC2)CCC1 ZINC001717155620 1419241387 /nfs/dbraw/zinc/24/13/87/1419241387.db2.gz CTUFXYDRJJURQJ-UHFFFAOYSA-N 0 3 331.416 2.914 10 5 EFBEHN O=C(NC1(CNCc2ccccc2[N+](=O)[O-])CCCCC1)C(F)F ZINC001717520385 1419425029 /nfs/dbraw/zinc/42/50/29/1419425029.db2.gz JZBORUWRURVVEJ-UHFFFAOYSA-N 0 3 341.358 2.769 10 5 EFBEHN CC(COC(=O)[C@H](C)Cc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813103370 713521029 /nfs/dbraw/zinc/52/10/29/713521029.db2.gz PNQIVSGFWUHTEQ-ZJUUUORDSA-N 0 3 330.178 2.836 10 5 EFBEHN Cc1nccn1C[C@H]1CCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000176075797 715042212 /nfs/dbraw/zinc/04/22/12/715042212.db2.gz ADROXIBNIQFMDJ-MRXNPFEDSA-N 0 3 340.387 2.572 10 5 EFBEHN Cc1nccn1C[C@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176083688 715050214 /nfs/dbraw/zinc/05/02/14/715050214.db2.gz ORPUPYGKFQSZOR-MRXNPFEDSA-N 0 3 340.387 2.572 10 5 EFBEHN CC1(C)COC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000313030344 715557580 /nfs/dbraw/zinc/55/75/80/715557580.db2.gz RGLXXNQZLJCQSG-GFCCVEGCSA-N 0 3 329.194 2.872 10 5 EFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892775912 719156522 /nfs/dbraw/zinc/15/65/22/719156522.db2.gz DUCJCXLNASWLKA-FWFZHJKVSA-N 0 3 329.400 2.599 10 5 EFBEHN CC(C)(C)OC1CC(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000341627194 724200491 /nfs/dbraw/zinc/20/04/91/724200491.db2.gz PROXSIKGXGITGA-LRVUVFPRSA-N 0 3 334.420 2.822 10 5 EFBEHN COc1cc(CN2CC[C@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000895848570 724349333 /nfs/dbraw/zinc/34/93/33/724349333.db2.gz ZZGSQECGHDXDOL-WFASDCNBSA-N 0 3 336.388 2.613 10 5 EFBEHN COc1cc(CN2CC[C@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000895848566 724349684 /nfs/dbraw/zinc/34/96/84/724349684.db2.gz ZZGSQECGHDXDOL-SWLSCSKDSA-N 0 3 336.388 2.613 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916053730 727652547 /nfs/dbraw/zinc/65/25/47/727652547.db2.gz DRIVTMWYAQOKDW-NSHDSACASA-N 0 3 325.796 2.852 10 5 EFBEHN CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000912398706 727705752 /nfs/dbraw/zinc/70/57/52/727705752.db2.gz NCNNZSZXUIOTMP-LLVKDONJSA-N 0 3 343.786 2.944 10 5 EFBEHN CC(C)[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000912765410 727741665 /nfs/dbraw/zinc/74/16/65/727741665.db2.gz CJANUAIABACTLJ-OAHLLOKOSA-N 0 3 339.823 2.637 10 5 EFBEHN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCN1C[C@@H](C)O ZINC000172179133 728572770 /nfs/dbraw/zinc/57/27/70/728572770.db2.gz YBBQBCOLENTVNK-TZMCWYRMSA-N 0 3 341.839 2.525 10 5 EFBEHN CCCCC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001569726935 1085565345 /nfs/dbraw/zinc/56/53/45/1085565345.db2.gz PPJQKAKZMROHNA-UHFFFAOYSA-N 0 3 349.431 2.540 10 5 EFBEHN CN(CCCN(C)C(=O)c1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001570188796 1086037498 /nfs/dbraw/zinc/03/74/98/1086037498.db2.gz AOOOKUUGLTWQDY-UHFFFAOYSA-N 0 3 342.399 2.584 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001648523378 1092228214 /nfs/dbraw/zinc/22/82/14/1092228214.db2.gz NSEQHQVYZRAJRY-LZQZEXGQSA-N 0 3 348.443 2.811 10 5 EFBEHN COc1ccc(C[C@@H]2CCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001167635573 1093168880 /nfs/dbraw/zinc/16/88/80/1093168880.db2.gz NDLLNUSIZKKDHB-QFBILLFUSA-N 0 3 342.395 2.954 10 5 EFBEHN CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC12CCCCC2 ZINC001651079559 1093523301 /nfs/dbraw/zinc/52/33/01/1093523301.db2.gz NWDCMSSFNGIXFB-UHFFFAOYSA-N 0 3 329.404 2.697 10 5 EFBEHN Cc1cc(C)c(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001267360893 1094306369 /nfs/dbraw/zinc/30/63/69/1094306369.db2.gz QDUAABURCMDUAP-UHFFFAOYSA-N 0 3 331.372 2.666 10 5 EFBEHN Cc1sccc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001267370543 1094337838 /nfs/dbraw/zinc/33/78/38/1094337838.db2.gz PSPKUMCXLZOZFY-UHFFFAOYSA-N 0 3 333.413 2.827 10 5 EFBEHN Cc1ccc(F)cc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001267410773 1094485593 /nfs/dbraw/zinc/48/55/93/1094485593.db2.gz QPXKYXDKTUKRSF-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)N(C)C)cc1 ZINC001625918918 1096181611 /nfs/dbraw/zinc/18/16/11/1096181611.db2.gz HYUAUJPLRPJMQE-KRWDZBQOSA-N 0 3 342.399 2.518 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC001268510766 1097089008 /nfs/dbraw/zinc/08/90/08/1097089008.db2.gz OQRSNOTVUIJDSE-UPHRSURJSA-N 0 3 331.397 2.732 10 5 EFBEHN Cc1ccc(CC(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001268529406 1097132092 /nfs/dbraw/zinc/13/20/92/1097132092.db2.gz RRMNAZFYRBDFAP-IHWYPQMZSA-N 0 3 343.383 2.501 10 5 EFBEHN CC1(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001268578820 1097270671 /nfs/dbraw/zinc/27/06/71/1097270671.db2.gz ZEODGWOHOGJEMF-PLNGDYQASA-N 0 3 331.416 2.937 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C1CC2(CC2)C1 ZINC001268590808 1097312584 /nfs/dbraw/zinc/31/25/84/1097312584.db2.gz OHKYZCHBLMXCJG-UPHRSURJSA-N 0 3 329.400 2.547 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCCC(F)(F)F ZINC001481283232 1098839330 /nfs/dbraw/zinc/83/93/30/1098839330.db2.gz DZYGBRFVPONFAH-UHFFFAOYSA-N 0 3 347.337 2.875 10 5 EFBEHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC001611391393 1099007322 /nfs/dbraw/zinc/00/73/22/1099007322.db2.gz OBZQVWCCELHXKA-GJZGRUSLSA-N 0 3 335.379 2.789 10 5 EFBEHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000843739341 1099052788 /nfs/dbraw/zinc/05/27/88/1099052788.db2.gz UBVQICXGPGYAGP-DZGCQCFKSA-N 0 3 341.367 2.944 10 5 EFBEHN COC(=O)/C=C\c1ccc(NC[C@@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC001613027381 1099088815 /nfs/dbraw/zinc/08/88/15/1099088815.db2.gz WDYKYHJNTROTPJ-LEJCZOIISA-N 0 3 333.388 2.677 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CC(F)(F)C1 ZINC001481303768 1099167311 /nfs/dbraw/zinc/16/73/11/1099167311.db2.gz VJLOOOWZIXBPQL-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN COc1ccsc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001481306399 1099196486 /nfs/dbraw/zinc/19/64/86/1099196486.db2.gz PDBLKYWQOQSUEK-UHFFFAOYSA-N 0 3 349.412 2.527 10 5 EFBEHN CCCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC001627324059 1099983615 /nfs/dbraw/zinc/98/36/15/1099983615.db2.gz GNPWJJANOQKKEH-ZDUSSCGKSA-N 0 3 339.823 2.733 10 5 EFBEHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001634684843 1100623816 /nfs/dbraw/zinc/62/38/16/1100623816.db2.gz CMDKQYBLUULLEN-CXAGYDPISA-N 0 3 342.399 2.563 10 5 EFBEHN CC(=O)c1ccc(N2CCN[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001643213644 1101280327 /nfs/dbraw/zinc/28/03/27/1101280327.db2.gz HOONOEOGTPOZBM-MRXNPFEDSA-N 0 3 325.368 2.948 10 5 EFBEHN C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CCN1C1CCCC1 ZINC001651418553 1101326052 /nfs/dbraw/zinc/32/60/52/1101326052.db2.gz MCWJXBUPPWYHEI-CYBMUJFWSA-N 0 3 329.404 2.696 10 5 EFBEHN CC(C)(C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C(F)F ZINC001266619904 1101534576 /nfs/dbraw/zinc/53/45/76/1101534576.db2.gz FDLDLLYCSWLCDJ-HAQNSBGRSA-N 0 3 341.358 2.623 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C)[C@H](C(C)(C)C)C2)c1 ZINC001654907232 1101769902 /nfs/dbraw/zinc/76/99/02/1101769902.db2.gz JUUHGCQGQNPXFQ-INIZCTEOSA-N 0 3 349.431 2.544 10 5 EFBEHN CC/C(C)=C/C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001656132198 1101968461 /nfs/dbraw/zinc/96/84/61/1101968461.db2.gz HEVJZRGBVQSQIJ-VOQZQIFKSA-N 0 3 331.416 2.936 10 5 EFBEHN Cc1ccc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)cc1F ZINC001266766212 1102161837 /nfs/dbraw/zinc/16/18/37/1102161837.db2.gz FHHOLFUKGJZXRX-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN CC[C@@H](c1ccccc1)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001657424955 1102381517 /nfs/dbraw/zinc/38/15/17/1102381517.db2.gz WDNOUSFMPNGKHG-SFHVURJKSA-N 0 3 343.431 2.560 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](c2nnc(N)o2)C1 ZINC001659612853 1102554407 /nfs/dbraw/zinc/55/44/07/1102554407.db2.gz RCBGFVWFGYVBLD-VXGBXAGGSA-N 0 3 331.376 2.809 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1sccc1F ZINC001493534882 1103263395 /nfs/dbraw/zinc/26/33/95/1103263395.db2.gz JVOZCOMSRKHYRE-UHFFFAOYSA-N 0 3 337.376 2.657 10 5 EFBEHN Cc1ccc(CNC[C@@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000729679594 1104771360 /nfs/dbraw/zinc/77/13/60/1104771360.db2.gz LKUIOERWUJHGIB-QGZVFWFLSA-N 0 3 330.384 2.571 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1csnc1C ZINC001482918873 1105169888 /nfs/dbraw/zinc/16/98/88/1105169888.db2.gz UCCTXONJNZQXCH-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN CC(C)(C)/C=C\C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001482991453 1105493662 /nfs/dbraw/zinc/49/36/62/1105493662.db2.gz RHWKJTSNOSPKQJ-NKIGAPEHSA-N 0 3 331.416 2.959 10 5 EFBEHN Cc1coc(C(=O)NCC2(NCc3cccc([N+](=O)[O-])c3)CCC2)c1 ZINC001673202229 1105984435 /nfs/dbraw/zinc/98/44/35/1105984435.db2.gz VDBQXGIHUJORRU-UHFFFAOYSA-N 0 3 343.383 2.939 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CCN(CCCc3cccnc3)CC2)cc1 ZINC000929154330 1106323979 /nfs/dbraw/zinc/32/39/79/1106323979.db2.gz LDEMYYWTWFJNLU-UHFFFAOYSA-N 0 3 326.400 2.745 10 5 EFBEHN Cc1c([C@@H](C)NCC(C)(C)CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000926953457 1108254692 /nfs/dbraw/zinc/25/46/92/1108254692.db2.gz LKAJDIXLBSPHDM-GFCCVEGCSA-N 0 3 328.434 2.625 10 5 EFBEHN Cc1[nH]ccc1C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001484629909 1113078687 /nfs/dbraw/zinc/07/86/87/1113078687.db2.gz IQJLPASGISAGSI-UHFFFAOYSA-N 0 3 342.399 2.674 10 5 EFBEHN CN(CC(C)(C)CNCc1csc([N+](=O)[O-])c1)C(=O)C(C)(F)F ZINC001485244244 1118175499 /nfs/dbraw/zinc/17/54/99/1118175499.db2.gz ZBBOQNMPVXCNEQ-UHFFFAOYSA-N 0 3 349.403 2.886 10 5 EFBEHN O=[N+]([O-])c1ccc(CNCCN2CCCC2)c(Br)c1 ZINC000054127033 214218267 /nfs/dbraw/zinc/21/82/67/214218267.db2.gz LAQLCWUTSBKEGG-UHFFFAOYSA-N 0 3 328.210 2.543 10 5 EFBEHN Cc1sc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055407471 214321275 /nfs/dbraw/zinc/32/12/75/214321275.db2.gz CVZMWEPEOKKGOU-QWRGUYRKSA-N 0 3 325.434 2.815 10 5 EFBEHN CCC[C@@](C)(N)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037622521 213161617 /nfs/dbraw/zinc/16/16/17/213161617.db2.gz QYTRXMMIBQWVOD-GFCCVEGCSA-N 0 3 330.182 2.813 10 5 EFBEHN CO[C@@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191714977 239261994 /nfs/dbraw/zinc/26/19/94/239261994.db2.gz VNMJDJRPURCZPC-AEJSXWLSSA-N 0 3 329.784 2.588 10 5 EFBEHN O=C(CN1C[C@@H]2CCCC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177535311 239380841 /nfs/dbraw/zinc/38/08/41/239380841.db2.gz XVUQZJLFZLYPDW-GJZGRUSLSA-N 0 3 329.400 2.606 10 5 EFBEHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CNC2 ZINC000416019218 244485263 /nfs/dbraw/zinc/48/52/63/244485263.db2.gz XERLMMXIJQFNLH-UHFFFAOYSA-N 0 3 340.383 2.904 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000078870243 217134988 /nfs/dbraw/zinc/13/49/88/217134988.db2.gz LZMLDTKOCNKTJF-WDEREUQCSA-N 0 3 325.796 2.803 10 5 EFBEHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H](c3nc[nH]n3)C2)c1 ZINC000425527496 247123204 /nfs/dbraw/zinc/12/32/04/247123204.db2.gz AOVNETQESDRTJJ-VIFPVBQESA-N 0 3 341.293 2.721 10 5 EFBEHN COc1ccc(NC(=O)CN[C@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000433084063 248013780 /nfs/dbraw/zinc/01/37/80/248013780.db2.gz RPGJJFGPPPAPOY-QOZQQMKHSA-N 0 3 333.388 2.710 10 5 EFBEHN COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000010018878 211140379 /nfs/dbraw/zinc/14/03/79/211140379.db2.gz CYNNMPCCJLVCHW-KRWDZBQOSA-N 0 3 343.383 2.636 10 5 EFBEHN Cc1cc(N2CCC[C@@H](NCc3ccc([N+](=O)[O-])cc3F)C2)n(C)n1 ZINC000444013511 250248879 /nfs/dbraw/zinc/24/88/79/250248879.db2.gz YMBQZVBOVUAYAC-CQSZACIVSA-N 0 3 347.394 2.534 10 5 EFBEHN COc1cccc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000444178137 250268927 /nfs/dbraw/zinc/26/89/27/250268927.db2.gz BHTBDKJAFVGKJN-STQMWFEESA-N 0 3 335.404 2.596 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1C ZINC000267440411 251060242 /nfs/dbraw/zinc/06/02/42/251060242.db2.gz YROUQKYSNGCHLO-MNOVXSKESA-N 0 3 325.796 2.803 10 5 EFBEHN C[C@H]1OCC[C@H]1N(CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449679066 251113230 /nfs/dbraw/zinc/11/32/30/251113230.db2.gz QULGHDCWCNCCCC-CZUORRHYSA-N 0 3 346.383 2.827 10 5 EFBEHN C[C@H]1OCC[C@@H]1N(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449676090 251114082 /nfs/dbraw/zinc/11/40/82/251114082.db2.gz FBUAAJAQOURHEB-DYVFJYSZSA-N 0 3 346.383 2.827 10 5 EFBEHN COC(=O)Cc1ccc(NCCN2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000450257428 251318541 /nfs/dbraw/zinc/31/85/41/251318541.db2.gz LMFARWPGVLNSLS-CYBMUJFWSA-N 0 3 335.404 2.597 10 5 EFBEHN Cc1nc(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC000450347093 251354759 /nfs/dbraw/zinc/35/47/59/251354759.db2.gz GVMNLPBMUGPTGP-SWLSCSKDSA-N 0 3 347.444 2.672 10 5 EFBEHN COc1cc(NC[C@@]2(N(C)C)CCSC2)c([N+](=O)[O-])cc1F ZINC000268253465 251765895 /nfs/dbraw/zinc/76/58/95/251765895.db2.gz ZYIPETUHJCDFLJ-AWEZNQCLSA-N 0 3 329.397 2.592 10 5 EFBEHN CCOc1ccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344639779 142053774 /nfs/dbraw/zinc/05/37/74/142053774.db2.gz HDBLHSZIEVJQIN-INIZCTEOSA-N 0 3 349.431 2.844 10 5 EFBEHN CN1CCC(Cc2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000346409995 142201008 /nfs/dbraw/zinc/20/10/08/142201008.db2.gz DSPOPMPGJPEWGY-UHFFFAOYSA-N 0 3 345.403 2.517 10 5 EFBEHN C[C@@H](C(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000347843169 142281042 /nfs/dbraw/zinc/28/10/42/142281042.db2.gz JGOYOVXUMBHEGG-BXUZGUMPSA-N 0 3 335.379 2.533 10 5 EFBEHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccsc1 ZINC000349316294 142320049 /nfs/dbraw/zinc/32/00/49/142320049.db2.gz WMVFENZSDYKOOJ-IAQYHMDHSA-N 0 3 349.412 2.697 10 5 EFBEHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccsc1 ZINC000349381682 142327024 /nfs/dbraw/zinc/32/70/24/142327024.db2.gz QLSKCZKOGPVAPK-ABAIWWIYSA-N 0 3 349.412 2.697 10 5 EFBEHN C[C@@H](NC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000349692528 142348380 /nfs/dbraw/zinc/34/83/80/142348380.db2.gz JTBXTZQHLNZAGD-WBMJQRKESA-N 0 3 332.404 2.534 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)N(C)C(C)C)CC1 ZINC000349980110 142385707 /nfs/dbraw/zinc/38/57/07/142385707.db2.gz YIWSZQHISJEJMM-UHFFFAOYSA-N 0 3 333.432 2.982 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342912313 145219927 /nfs/dbraw/zinc/21/99/27/145219927.db2.gz CCCMOIPNRQENTD-LBPRGKRZSA-N 0 3 330.388 2.680 10 5 EFBEHN O=C(CCN1CCc2ccccc2C1)NCc1ccccc1[N+](=O)[O-] ZINC000348943254 146027976 /nfs/dbraw/zinc/02/79/76/146027976.db2.gz WMWYVOHDAHKJLJ-UHFFFAOYSA-N 0 3 339.395 2.659 10 5 EFBEHN Cc1c(NC(=O)CCN[C@@H](CO)c2ccsc2)cccc1[N+](=O)[O-] ZINC000352030736 146270030 /nfs/dbraw/zinc/27/00/30/146270030.db2.gz ASJPUJLAPIAHBZ-AWEZNQCLSA-N 0 3 349.412 2.617 10 5 EFBEHN Cc1c(NC(=O)CCN[C@H](CO)c2ccsc2)cccc1[N+](=O)[O-] ZINC000352030737 146270048 /nfs/dbraw/zinc/27/00/48/146270048.db2.gz ASJPUJLAPIAHBZ-CQSZACIVSA-N 0 3 349.412 2.617 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356340699 147217067 /nfs/dbraw/zinc/21/70/67/147217067.db2.gz PDFJKPYOFXNJEW-BBRMVZONSA-N 0 3 333.432 2.814 10 5 EFBEHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccco1 ZINC000359570119 148126213 /nfs/dbraw/zinc/12/62/13/148126213.db2.gz ZJGSUERVGGBZTO-ABAIWWIYSA-N 0 3 346.387 2.750 10 5 EFBEHN O=[N+]([O-])c1cc2ccccc2nc1NC1CC(N2CCCCC2)C1 ZINC000360101470 148272153 /nfs/dbraw/zinc/27/21/53/148272153.db2.gz LDOYBHFOUXFWTL-UHFFFAOYSA-N 0 3 326.400 2.994 10 5 EFBEHN CCc1nc(C2CCN(Cc3ccc([N+](=O)[O-])cc3OC)CC2)n[nH]1 ZINC000373979362 151261394 /nfs/dbraw/zinc/26/13/94/151261394.db2.gz WRPUKCRUSRPPBM-UHFFFAOYSA-N 0 3 345.403 2.664 10 5 EFBEHN CCc1n[nH]c(C2CCN(Cc3ccc([N+](=O)[O-])cc3OC)CC2)n1 ZINC000373979362 151261397 /nfs/dbraw/zinc/26/13/97/151261397.db2.gz WRPUKCRUSRPPBM-UHFFFAOYSA-N 0 3 345.403 2.664 10 5 EFBEHN CCc1nnc(C2CCN(Cc3ccc([N+](=O)[O-])cc3OC)CC2)[nH]1 ZINC000373979362 151261400 /nfs/dbraw/zinc/26/14/00/151261400.db2.gz WRPUKCRUSRPPBM-UHFFFAOYSA-N 0 3 345.403 2.664 10 5 EFBEHN CCOc1ccc(C(=O)N2CCCC23CCN(C)CC3)cc1[N+](=O)[O-] ZINC000374322756 151322431 /nfs/dbraw/zinc/32/24/31/151322431.db2.gz FVVFIBRSAVOWQJ-UHFFFAOYSA-N 0 3 347.415 2.694 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000122956155 222189920 /nfs/dbraw/zinc/18/99/20/222189920.db2.gz FCBMMIURZPFFLZ-CYBMUJFWSA-N 0 3 336.392 2.551 10 5 EFBEHN CSc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123115419 222218487 /nfs/dbraw/zinc/21/84/87/222218487.db2.gz GHLJXRPZVJUPOA-YPMHNXCESA-N 0 3 337.445 2.871 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000123152110 222225116 /nfs/dbraw/zinc/22/51/16/222225116.db2.gz BUXVFZHZXSBZBH-NWDGAFQWSA-N 0 3 336.392 2.550 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171640509 227189323 /nfs/dbraw/zinc/18/93/23/227189323.db2.gz YYLYXTSDRGACPK-HNNXBMFYSA-N 0 3 342.399 2.803 10 5 EFBEHN O=[N+]([O-])c1ccc(CCN2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171641885 227194006 /nfs/dbraw/zinc/19/40/06/227194006.db2.gz KJLGQDLYGNEXPC-MRXNPFEDSA-N 0 3 326.400 2.966 10 5 EFBEHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](O)CN1CCCCC1 ZINC000052131343 292638125 /nfs/dbraw/zinc/63/81/25/292638125.db2.gz WNKFXOMYLLHCCQ-GFCCVEGCSA-N 0 3 347.337 2.872 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000187185374 265090260 /nfs/dbraw/zinc/09/02/60/265090260.db2.gz ZGLKFCSEEBZNBO-CXAGYDPISA-N 0 3 342.399 2.719 10 5 EFBEHN COc1cc(C[NH2+]CCc2cc(C)c(O)c(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000190398288 265222493 /nfs/dbraw/zinc/22/24/93/265222493.db2.gz OFHCFKNYMDQKLW-UHFFFAOYSA-N 0 3 346.383 2.964 10 5 EFBEHN COc1cc(CNC[C@H]2C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272438379 266265738 /nfs/dbraw/zinc/26/57/38/266265738.db2.gz OHUDAYZXSGHHIF-NXEZZACHSA-N 0 3 330.331 2.993 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000276592131 267019320 /nfs/dbraw/zinc/01/93/20/267019320.db2.gz NDCZAGZGHDECQP-LBPRGKRZSA-N 0 3 325.796 2.723 10 5 EFBEHN COc1cc(CN[C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000277552515 267195225 /nfs/dbraw/zinc/19/52/25/267195225.db2.gz SUYYBXNIBGPJTP-MWLCHTKSSA-N 0 3 346.330 2.719 10 5 EFBEHN COc1cc(CN[C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000277552517 267195673 /nfs/dbraw/zinc/19/56/73/267195673.db2.gz SUYYBXNIBGPJTP-ONGXEEELSA-N 0 3 346.330 2.719 10 5 EFBEHN C[C@H](N[C@@H]1CCOC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000277578273 267202763 /nfs/dbraw/zinc/20/27/63/267202763.db2.gz VPJCBOYRIRCROI-OUJBWJOFSA-N 0 3 341.795 2.590 10 5 EFBEHN C[C@H](N[C@@H]1CCOC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000277578266 267202828 /nfs/dbraw/zinc/20/28/28/267202828.db2.gz VPJCBOYRIRCROI-GBIKHYSHSA-N 0 3 341.795 2.590 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)c(CNCCc2cn3c(n2)SCC3)c1 ZINC000274242625 273127017 /nfs/dbraw/zinc/12/70/17/273127017.db2.gz HQZDEBMRZUPRLQ-UHFFFAOYSA-N 0 3 338.820 2.883 10 5 EFBEHN CCNC(=O)N1CC[C@@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279010563 273166184 /nfs/dbraw/zinc/16/61/84/273166184.db2.gz GXIOMGZUJZVCDB-MLGOLLRUSA-N 0 3 346.431 2.711 10 5 EFBEHN CCN(CC)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000447681212 273642130 /nfs/dbraw/zinc/64/21/30/273642130.db2.gz XBLAVZQUBSEOKT-OAHLLOKOSA-N 0 3 343.387 2.981 10 5 EFBEHN C[C@@H](CN1CCCCC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000285960405 274107593 /nfs/dbraw/zinc/10/75/93/274107593.db2.gz AMPXGIRLJZXGND-NSHDSACASA-N 0 3 331.376 2.530 10 5 EFBEHN C[C@H]1COCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000336806894 274606147 /nfs/dbraw/zinc/60/61/47/274606147.db2.gz DFPBIZXDXYUIRN-CABZTGNLSA-N 0 3 329.194 2.872 10 5 EFBEHN COc1cnccc1N1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000360243473 278076713 /nfs/dbraw/zinc/07/67/13/278076713.db2.gz WBUADGOZTDFXGW-UHFFFAOYSA-N 0 3 328.372 2.633 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000361213949 280158935 /nfs/dbraw/zinc/15/89/35/280158935.db2.gz TUZUBJYVEJGWHU-MAUKXSAKSA-N 0 3 345.443 2.716 10 5 EFBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000175008959 281192066 /nfs/dbraw/zinc/19/20/66/281192066.db2.gz UZQVYBIQEWRFMP-QWHCGFSZSA-N 0 3 337.807 2.947 10 5 EFBEHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130316532 293161437 /nfs/dbraw/zinc/16/14/37/293161437.db2.gz YCISQWRTCRLQON-CHWSQXEVSA-N 0 3 344.415 2.926 10 5 EFBEHN COc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000133859863 293270456 /nfs/dbraw/zinc/27/04/56/293270456.db2.gz XYPRFWLNBVCNSU-OAHLLOKOSA-N 0 3 343.383 2.636 10 5 EFBEHN CS[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000291787267 294484215 /nfs/dbraw/zinc/48/42/15/294484215.db2.gz CWYGASVNYKTNPF-HUUCEWRRSA-N 0 3 332.429 2.625 10 5 EFBEHN O=C1NCCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000295121412 295270828 /nfs/dbraw/zinc/27/08/28/295270828.db2.gz WQRFCFRVHBTEAO-AWEZNQCLSA-N 0 3 331.397 2.692 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000295765435 295372897 /nfs/dbraw/zinc/37/28/97/295372897.db2.gz WHWKDFHVCVSMAZ-XDPMZMSMSA-N 0 3 343.427 2.941 10 5 EFBEHN O=[N+]([O-])c1cc(Cl)ccc1CNC1(CO)Cc2ccccc2C1 ZINC000365370519 304799539 /nfs/dbraw/zinc/79/95/39/304799539.db2.gz CFJCIZNMIMUUJG-UHFFFAOYSA-N 0 3 332.787 2.868 10 5 EFBEHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCNC[C@@H]1c1cccnc1 ZINC000261723127 304799568 /nfs/dbraw/zinc/79/95/68/304799568.db2.gz LHZOPGNNSVZFTJ-MRXNPFEDSA-N 0 3 332.791 2.790 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCNC[C@H]1c1cccnc1 ZINC000261799240 304802266 /nfs/dbraw/zinc/80/22/66/304802266.db2.gz QSTJLAQHVDBITM-INIZCTEOSA-N 0 3 332.791 2.790 10 5 EFBEHN C[C@H]1CCCCN1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000298744581 311019702 /nfs/dbraw/zinc/01/97/02/311019702.db2.gz YTSTUODMSWGWJE-LBPRGKRZSA-N 0 3 332.404 2.766 10 5 EFBEHN Cc1sc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000299000003 311040828 /nfs/dbraw/zinc/04/08/28/311040828.db2.gz QAMBDICMJPWUIY-CQSZACIVSA-N 0 3 347.440 2.867 10 5 EFBEHN CCN1CCCN(c2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000301265199 311127834 /nfs/dbraw/zinc/12/78/34/311127834.db2.gz WBMGFEBPXQOOPW-UHFFFAOYSA-N 0 3 341.415 2.892 10 5 EFBEHN COC(=O)c1cc(N2CCN(C3CCCC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301586511 311146206 /nfs/dbraw/zinc/14/62/06/311146206.db2.gz VTMKKGNDXYAUKA-UHFFFAOYSA-N 0 3 347.415 2.754 10 5 EFBEHN O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000301728107 311155257 /nfs/dbraw/zinc/15/52/57/311155257.db2.gz RATMFQXIHOHMCH-KGLIPLIRSA-N 0 3 339.823 2.674 10 5 EFBEHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000302169598 311181923 /nfs/dbraw/zinc/18/19/23/311181923.db2.gz TYZSWDVBPSKOGP-FZMZJTMJSA-N 0 3 333.417 2.941 10 5 EFBEHN Cc1ccc(OC[C@H](O)CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000326440020 311244255 /nfs/dbraw/zinc/24/42/55/311244255.db2.gz ZHGJYEHVZYZRBT-MRXNPFEDSA-N 0 3 330.384 2.741 10 5 EFBEHN N[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000414842991 312057742 /nfs/dbraw/zinc/05/77/42/312057742.db2.gz ZZHKXFDLYGUYSQ-AWEZNQCLSA-N 0 3 337.326 2.986 10 5 EFBEHN CCNC(=O)N1CC[C@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304595 312206553 /nfs/dbraw/zinc/20/65/53/312206553.db2.gz CESMBUZBTZKGQI-YOEHRIQHSA-N 0 3 346.431 2.756 10 5 EFBEHN CCNC(=O)N1CC[C@@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304592 312206581 /nfs/dbraw/zinc/20/65/81/312206581.db2.gz CESMBUZBTZKGQI-PBHICJAKSA-N 0 3 346.431 2.756 10 5 EFBEHN O=[N+]([O-])c1cccc(N2CCN(C[C@@H](O)C3CCCCC3)CC2)c1 ZINC000473742090 313199976 /nfs/dbraw/zinc/19/99/76/313199976.db2.gz HXWOCGYNXSDBHI-GOSISDBHSA-N 0 3 333.432 2.658 10 5 EFBEHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000492937261 314184503 /nfs/dbraw/zinc/18/45/03/314184503.db2.gz QPUOJZWIKHVJNF-CXAGYDPISA-N 0 3 336.388 2.815 10 5 EFBEHN C[C@H]1C[C@H](N2CCCC2)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000515469324 315620688 /nfs/dbraw/zinc/62/06/88/315620688.db2.gz JNSFJJJQQFTQJA-ZFWWWQNUSA-N 0 3 330.432 2.932 10 5 EFBEHN C[C@H](NC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531882556 317327579 /nfs/dbraw/zinc/32/75/79/317327579.db2.gz BRTVLDUNBBFTHK-ZDUSSCGKSA-N 0 3 342.399 2.849 10 5 EFBEHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532136974 317360302 /nfs/dbraw/zinc/36/03/02/317360302.db2.gz BWMGROANQYOIPP-ZFWWWQNUSA-N 0 3 340.383 2.555 10 5 EFBEHN CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000532142182 317362042 /nfs/dbraw/zinc/36/20/42/317362042.db2.gz LXASAZDUWZGIOP-QGZVFWFLSA-N 0 3 342.399 2.585 10 5 EFBEHN CS[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000548691774 318132994 /nfs/dbraw/zinc/13/29/94/318132994.db2.gz PMFUIMLTVVWWCL-UONOGXRCSA-N 0 3 336.461 2.623 10 5 EFBEHN Cc1ccc(OC[C@H](O)CN(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000554849368 318338111 /nfs/dbraw/zinc/33/81/11/318338111.db2.gz YIYPGMSSHRDWNL-GOSISDBHSA-N 0 3 344.411 2.817 10 5 EFBEHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc(CO)c(F)c2)n1 ZINC000564705551 318883065 /nfs/dbraw/zinc/88/30/65/318883065.db2.gz GNJRTJFOKXUVTL-HOTGVXAUSA-N 0 3 348.378 2.696 10 5 EFBEHN Cc1cnc(CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000566007106 319022737 /nfs/dbraw/zinc/02/27/37/319022737.db2.gz FZBGHHGVAAQUEU-OAHLLOKOSA-N 0 3 341.415 2.731 10 5 EFBEHN CN(C)[C@@]1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCSC1 ZINC000566675256 319100877 /nfs/dbraw/zinc/10/08/77/319100877.db2.gz ISILKGKCAMRNIA-MRXNPFEDSA-N 0 3 336.461 2.718 10 5 EFBEHN Cc1c(C(=O)N2CCc3ccccc3[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000567926794 319226769 /nfs/dbraw/zinc/22/67/69/319226769.db2.gz PAJGDDDVOGCDRL-KRWDZBQOSA-N 0 3 325.368 2.602 10 5 EFBEHN C[C@@H]1Cc2ccccc2[C@@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569110489 319349484 /nfs/dbraw/zinc/34/94/84/319349484.db2.gz GQVJTLOPINNRDZ-ZXYWRSMDSA-N 0 3 342.395 2.858 10 5 EFBEHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000577090518 320077070 /nfs/dbraw/zinc/07/70/70/320077070.db2.gz GJEIZXQTZZUTEC-ZDUSSCGKSA-N 0 3 335.404 2.550 10 5 EFBEHN COc1cccc([N+](=O)[O-])c1NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000577540609 320120144 /nfs/dbraw/zinc/12/01/44/320120144.db2.gz FMMTWNBZJPVTKU-OKILXGFUSA-N 0 3 337.420 2.905 10 5 EFBEHN C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CCN(C2CC2)C1 ZINC000577949635 320158997 /nfs/dbraw/zinc/15/89/97/320158997.db2.gz YPAGIMXCKFNGNB-CYBMUJFWSA-N 0 3 330.432 2.789 10 5 EFBEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185013487 323380181 /nfs/dbraw/zinc/38/01/81/323380181.db2.gz BJWMLCLTFDAHFR-QWHCGFSZSA-N 0 3 339.411 2.930 10 5 EFBEHN COC(=O)c1cc(OCc2ccc3c(c2)CNCC3)ccc1[N+](=O)[O-] ZINC000583503327 324824250 /nfs/dbraw/zinc/82/42/50/324824250.db2.gz YFRKDPWZKPJNOB-UHFFFAOYSA-N 0 3 342.351 2.606 10 5 EFBEHN COC(=O)c1cc(NC2CCN(C3CC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000095966482 473233023 /nfs/dbraw/zinc/23/30/23/473233023.db2.gz RWIXLCYKULSQSF-UHFFFAOYSA-N 0 3 333.388 2.729 10 5 EFBEHN COCCN1CCC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112079951 473241228 /nfs/dbraw/zinc/24/12/28/473241228.db2.gz JGHUDEFDWLOGAN-CYBMUJFWSA-N 0 3 330.388 2.666 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(CN(C)C)c1 ZINC000124571417 473266246 /nfs/dbraw/zinc/26/62/46/473266246.db2.gz HSLYYAPKMJRWDE-UHFFFAOYSA-N 0 3 327.384 2.895 10 5 EFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190483592 473290915 /nfs/dbraw/zinc/29/09/15/473290915.db2.gz XXNPJIDVIBFOFB-SFHVURJKSA-N 0 3 340.427 2.944 10 5 EFBEHN CCc1nc(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000190694980 473364007 /nfs/dbraw/zinc/36/40/07/473364007.db2.gz HYWCZXALKAKWFM-UHFFFAOYSA-N 0 3 345.403 2.534 10 5 EFBEHN CCc1n[nH]c(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000190694980 473364017 /nfs/dbraw/zinc/36/40/17/473364017.db2.gz HYWCZXALKAKWFM-UHFFFAOYSA-N 0 3 345.403 2.534 10 5 EFBEHN CCc1nnc(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000190694980 473364020 /nfs/dbraw/zinc/36/40/20/473364020.db2.gz HYWCZXALKAKWFM-UHFFFAOYSA-N 0 3 345.403 2.534 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000113233308 473372599 /nfs/dbraw/zinc/37/25/99/473372599.db2.gz RIYRGDKRQRKRFH-VXGBXAGGSA-N 0 3 335.429 2.625 10 5 EFBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000113367257 473389446 /nfs/dbraw/zinc/38/94/46/473389446.db2.gz LUEOEPHBISKJQC-CMPLNLGQSA-N 0 3 338.795 2.949 10 5 EFBEHN CN(C)C1CC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000622008189 479879350 /nfs/dbraw/zinc/87/93/50/479879350.db2.gz CAAXHUDOQDEHFE-UHFFFAOYSA-N 0 3 335.407 2.504 10 5 EFBEHN C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595479642 478810908 /nfs/dbraw/zinc/81/09/08/478810908.db2.gz GGQZZLHYCJVADB-DOMZBBRYSA-N 0 3 334.420 2.828 10 5 EFBEHN CCN1CCC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000040713428 472039574 /nfs/dbraw/zinc/03/95/74/472039574.db2.gz LOZAQRUWZAEYGJ-SNVBAGLBSA-N 0 3 329.198 2.649 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000068132373 472139602 /nfs/dbraw/zinc/13/96/02/472139602.db2.gz FDCOERUCZSCMNK-MRXNPFEDSA-N 0 3 331.416 2.994 10 5 EFBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1CN1CCOCC1 ZINC000075969161 472230583 /nfs/dbraw/zinc/23/05/83/472230583.db2.gz VZICVVGFBCYHTH-HZPDHXFCSA-N 0 3 333.432 2.843 10 5 EFBEHN Cc1sc(C(=O)NCc2ccccc2CN(C)C)cc1[N+](=O)[O-] ZINC000043732259 472258710 /nfs/dbraw/zinc/25/87/10/472258710.db2.gz BHMQQPZCTLJSSU-UHFFFAOYSA-N 0 3 333.413 2.956 10 5 EFBEHN CN(C)C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000128250863 472424674 /nfs/dbraw/zinc/42/46/74/472424674.db2.gz WMNJDUWGQFAKSA-KRWDZBQOSA-N 0 3 345.399 2.617 10 5 EFBEHN C[C@H]1[C@@H](NCc2ccc([N+](=O)[O-])cc2)CC(=O)N1Cc1ccccc1 ZINC000089513423 472452739 /nfs/dbraw/zinc/45/27/39/472452739.db2.gz JFNCTUZXSPBRRR-KSSFIOAISA-N 0 3 339.395 2.874 10 5 EFBEHN CN(C)C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000129133757 472524505 /nfs/dbraw/zinc/52/45/05/472524505.db2.gz DQGYAHLBQLOYSM-KRWDZBQOSA-N 0 3 342.399 2.697 10 5 EFBEHN C[C@@H](CN1CCCCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130074047 472582326 /nfs/dbraw/zinc/58/23/26/472582326.db2.gz PYYIORVCFDCIJD-LBPRGKRZSA-N 0 3 330.388 2.680 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130133075 472586448 /nfs/dbraw/zinc/58/64/48/472586448.db2.gz PHZFCKUKUKVICO-GFCCVEGCSA-N 0 3 330.388 2.680 10 5 EFBEHN CN(Cc1ccc(F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046704041 472587754 /nfs/dbraw/zinc/58/77/54/472587754.db2.gz JEKDSWPRWYNBCJ-MRXNPFEDSA-N 0 3 334.347 2.606 10 5 EFBEHN CC(C)N1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155701723 472598022 /nfs/dbraw/zinc/59/80/22/472598022.db2.gz OSESNFCTVOMORX-HZMBPMFUSA-N 0 3 325.796 2.707 10 5 EFBEHN CC(C)N1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000155755793 472609803 /nfs/dbraw/zinc/60/98/03/472609803.db2.gz XERWRORAQNDLTK-HZMBPMFUSA-N 0 3 325.796 2.707 10 5 EFBEHN O=[N+]([O-])c1cnn(CCN[C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000090538835 472631337 /nfs/dbraw/zinc/63/13/37/472631337.db2.gz WSRGSMCKJNWORM-CQSZACIVSA-N 0 3 336.779 2.948 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000120129248 472636126 /nfs/dbraw/zinc/63/61/26/472636126.db2.gz ROMMDZNHXUCVPI-UHFFFAOYSA-N 0 3 346.391 2.614 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047142658 472660057 /nfs/dbraw/zinc/66/00/57/472660057.db2.gz VHHLVHYVIZWAOX-LLVKDONJSA-N 0 3 325.796 2.852 10 5 EFBEHN CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000120920545 472768126 /nfs/dbraw/zinc/76/81/26/472768126.db2.gz XAUFESRYYZCGFX-DBWMJRBXSA-N 0 3 333.432 2.651 10 5 EFBEHN C[C@H](N[C@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000105802164 472778266 /nfs/dbraw/zinc/77/82/66/472778266.db2.gz MWUHTRGPVVTWMX-ZFWWWQNUSA-N 0 3 327.388 2.704 10 5 EFBEHN Cc1nc(C)n(C[C@@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000105885403 472795359 /nfs/dbraw/zinc/79/53/59/472795359.db2.gz HXLDFCKUAZRFBB-QGZVFWFLSA-N 0 3 343.431 2.758 10 5 EFBEHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000105884781 472795778 /nfs/dbraw/zinc/79/57/78/472795778.db2.gz MRSJOYFRVVFYBV-MRXNPFEDSA-N 0 3 329.404 2.715 10 5 EFBEHN Cc1nc(C)n(C[C@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000105885405 472796355 /nfs/dbraw/zinc/79/63/55/472796355.db2.gz HXLDFCKUAZRFBB-KRWDZBQOSA-N 0 3 343.431 2.758 10 5 EFBEHN Cc1cnn([C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000105901545 472806905 /nfs/dbraw/zinc/80/69/05/472806905.db2.gz PSRACASEIAJMII-OAHLLOKOSA-N 0 3 330.388 2.816 10 5 EFBEHN CC(C)c1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000106379926 472846356 /nfs/dbraw/zinc/84/63/56/472846356.db2.gz GXWHFOBUQRKEQO-MRXNPFEDSA-N 0 3 333.432 2.671 10 5 EFBEHN Cc1c(NC(=O)CCN(C)C[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000121841970 472927676 /nfs/dbraw/zinc/92/76/76/472927676.db2.gz HJHDVPSZBTXOPJ-AWEZNQCLSA-N 0 3 335.404 2.733 10 5 EFBEHN COCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092649500 472951634 /nfs/dbraw/zinc/95/16/34/472951634.db2.gz LTGBDIKQUQRUDA-ZDUSSCGKSA-N 0 3 330.388 2.666 10 5 EFBEHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107527149 472961551 /nfs/dbraw/zinc/96/15/51/472961551.db2.gz HXEPHIJYWWBKQW-CQSZACIVSA-N 0 3 335.379 2.824 10 5 EFBEHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000080902431 473097270 /nfs/dbraw/zinc/09/72/70/473097270.db2.gz UJWNXXPXGVGMND-ACJLOTCBSA-N 0 3 349.431 2.700 10 5 EFBEHN Cc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000052554462 473124208 /nfs/dbraw/zinc/12/42/08/473124208.db2.gz MIKXBAIQUUWSFJ-MRXNPFEDSA-N 0 3 327.384 2.936 10 5 EFBEHN Cc1c(CN2CCCC[C@H]2CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000109818958 473128130 /nfs/dbraw/zinc/12/81/30/473128130.db2.gz PVDPSYVLESYVRD-KRWDZBQOSA-N 0 3 333.432 2.590 10 5 EFBEHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000136890716 473182859 /nfs/dbraw/zinc/18/28/59/473182859.db2.gz SCIMCURMUISLJS-WBMJQRKESA-N 0 3 344.367 2.750 10 5 EFBEHN CCn1cc(C2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000137019483 473190991 /nfs/dbraw/zinc/19/09/91/473190991.db2.gz VURZEJVBCKXEQU-SFHVURJKSA-N 0 3 344.415 2.724 10 5 EFBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000137101771 473194219 /nfs/dbraw/zinc/19/42/19/473194219.db2.gz VZXFLALPCRZKTB-LLVKDONJSA-N 0 3 327.812 2.954 10 5 EFBEHN CC(C)C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)C ZINC000114376580 473457607 /nfs/dbraw/zinc/45/76/07/473457607.db2.gz SAYWJJLFZGXBNF-ZDUSSCGKSA-N 0 3 332.404 2.782 10 5 EFBEHN CO[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191714932 473571298 /nfs/dbraw/zinc/57/12/98/473571298.db2.gz VNMJDJRPURCZPC-LPEHRKFASA-N 0 3 329.784 2.588 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2nc(CN3CCN4CCC[C@@H]4C3)co2)cc1 ZINC000179191238 473650019 /nfs/dbraw/zinc/65/00/19/473650019.db2.gz GZSJAHGDDBPFSW-MRXNPFEDSA-N 0 3 328.372 2.530 10 5 EFBEHN CN(Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193331487 473782579 /nfs/dbraw/zinc/78/25/79/473782579.db2.gz CEPRSKKFGPBIQE-HNNXBMFYSA-N 0 3 334.347 2.606 10 5 EFBEHN COc1ccc(OCCN2CCC(c3cc[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000173606382 473888599 /nfs/dbraw/zinc/88/85/99/473888599.db2.gz QVTNHMJUGZYQHJ-UHFFFAOYSA-N 0 3 346.387 2.585 10 5 EFBEHN COc1ccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cc1[N+](=O)[O-] ZINC000264359693 473962610 /nfs/dbraw/zinc/96/26/10/473962610.db2.gz RVHVPSMTRQXFCW-CYBMUJFWSA-N 0 3 329.356 2.871 10 5 EFBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246905655 474000313 /nfs/dbraw/zinc/00/03/13/474000313.db2.gz HVQLIONIBKLLMG-YPMHNXCESA-N 0 3 337.807 2.947 10 5 EFBEHN Cc1cc(N2CCC[C@@H]2CN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270272379 474054259 /nfs/dbraw/zinc/05/42/59/474054259.db2.gz WSHUZWJDLCXIRO-MRXNPFEDSA-N 0 3 341.415 2.891 10 5 EFBEHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(-c2cnn(C)c2)no1 ZINC000282422306 474060107 /nfs/dbraw/zinc/06/01/07/474060107.db2.gz JNGSWRUDPXDISH-UHFFFAOYSA-N 0 3 341.371 2.658 10 5 EFBEHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000288964464 474105449 /nfs/dbraw/zinc/10/54/49/474105449.db2.gz UBCXBHTWYIUNNW-CABCVRRESA-N 0 3 329.404 2.977 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174884561 474112986 /nfs/dbraw/zinc/11/29/86/474112986.db2.gz NVFAKEDLWBSHKP-LPHOPBHVSA-N 0 3 346.475 2.758 10 5 EFBEHN CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247336147 474122673 /nfs/dbraw/zinc/12/26/73/474122673.db2.gz JAQVMDFJLWNPFI-GXTWGEPZSA-N 0 3 335.404 2.548 10 5 EFBEHN COc1cccc(N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000275390817 474168844 /nfs/dbraw/zinc/16/88/44/474168844.db2.gz CJKXADUMXSUDBO-DZGCQCFKSA-N 0 3 337.445 2.619 10 5 EFBEHN O=C(NCc1ccc2c(c1)CNC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188705987 474172338 /nfs/dbraw/zinc/17/23/38/474172338.db2.gz KQCFLEXVXQTUCD-UHFFFAOYSA-N 0 3 331.759 2.781 10 5 EFBEHN Cn1cc(CN[C@@H]2CSC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000282906548 474237478 /nfs/dbraw/zinc/23/74/78/474237478.db2.gz UQROPJROJIAZAM-CQSZACIVSA-N 0 3 332.429 2.979 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000183076042 474320921 /nfs/dbraw/zinc/32/09/21/474320921.db2.gz SPHHVGXABSVVJT-BUUHPPLQSA-N 0 3 329.400 2.740 10 5 EFBEHN COC[C@@](C)(CCO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000175855380 474326502 /nfs/dbraw/zinc/32/65/02/474326502.db2.gz KTUKBUMPFXZPJM-QGZVFWFLSA-N 0 3 334.372 2.732 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN(CCC(N)=O)Cc1ccccc1 ZINC000183245219 474358587 /nfs/dbraw/zinc/35/85/87/474358587.db2.gz YNYVPNNRDSFHQV-UHFFFAOYSA-N 0 3 327.384 2.781 10 5 EFBEHN C[C@H]1C[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289651805 474363728 /nfs/dbraw/zinc/36/37/28/474363728.db2.gz YJIYKRYMMTUYCH-WRWORJQWSA-N 0 3 332.141 2.697 10 5 EFBEHN C[C@@H](C(=O)NCCN1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248599915 474373256 /nfs/dbraw/zinc/37/32/56/474373256.db2.gz USIROKGOBDTJSC-CHWSQXEVSA-N 0 3 337.395 2.828 10 5 EFBEHN CC[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176699071 474519071 /nfs/dbraw/zinc/51/90/71/474519071.db2.gz XYGVWBQBZAUJCF-IAGOWNOFSA-N 0 3 344.415 2.702 10 5 EFBEHN COc1ccccc1[C@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284033802 474554602 /nfs/dbraw/zinc/55/46/02/474554602.db2.gz JLWUKNBIHUUPQP-BDJLRTHQSA-N 0 3 331.372 2.570 10 5 EFBEHN Cc1sc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249734068 474608871 /nfs/dbraw/zinc/60/88/71/474608871.db2.gz CVZMWEPEOKKGOU-GHMZBOCLSA-N 0 3 325.434 2.815 10 5 EFBEHN CO[C@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1C ZINC000251940401 474652664 /nfs/dbraw/zinc/65/26/64/474652664.db2.gz UPZSDNMONMSYFL-WBMJQRKESA-N 0 3 335.404 2.589 10 5 EFBEHN CCN1CCN(CCCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291711283 474655126 /nfs/dbraw/zinc/65/51/26/474655126.db2.gz VNFOMRJRCJUGFI-UHFFFAOYSA-N 0 3 343.431 2.583 10 5 EFBEHN Cc1cc(N2CCC[C@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000278518025 474677242 /nfs/dbraw/zinc/67/72/42/474677242.db2.gz SBKFKNWTQBNZNO-HOCLYGCPSA-N 0 3 343.431 2.956 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2CCCC[C@H]2C)c1 ZINC000344389179 474711300 /nfs/dbraw/zinc/71/13/00/474711300.db2.gz JAQYISDQHPXRFH-OAHLLOKOSA-N 0 3 349.431 2.663 10 5 EFBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278659423 474761501 /nfs/dbraw/zinc/76/15/01/474761501.db2.gz HRQZSHWLDXIZJA-WCQYABFASA-N 0 3 348.321 2.609 10 5 EFBEHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H](Cn2cncn2)C1 ZINC000255073481 474798766 /nfs/dbraw/zinc/79/87/66/474798766.db2.gz HOKCJENTJKRIPC-QZDDGCDVSA-N 0 3 327.388 2.612 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278731450 474800235 /nfs/dbraw/zinc/80/02/35/474800235.db2.gz SOMKGBRJIHNCPR-HUUCEWRRSA-N 0 3 333.432 2.841 10 5 EFBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000341056094 474923907 /nfs/dbraw/zinc/92/39/07/474923907.db2.gz IHCRABVGFXFBIT-GJZGRUSLSA-N 0 3 348.447 2.776 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2[C@H](C)CCC[C@H]2C)c1 ZINC000341063778 474932582 /nfs/dbraw/zinc/93/25/82/474932582.db2.gz FCYVOLINCFTIII-CHWSQXEVSA-N 0 3 335.404 2.596 10 5 EFBEHN CCN1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000293376023 474952719 /nfs/dbraw/zinc/95/27/19/474952719.db2.gz VRLLOJMXLSNYJY-JKSUJKDBSA-N 0 3 339.823 2.543 10 5 EFBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000341083689 474954383 /nfs/dbraw/zinc/95/43/83/474954383.db2.gz BSZUZNSVYJXNKV-GASCZTMLSA-N 0 3 348.447 2.699 10 5 EFBEHN Cc1nc(NCc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000268435928 474977951 /nfs/dbraw/zinc/97/79/51/474977951.db2.gz CBPAOSVNPWCDLU-UHFFFAOYSA-N 0 3 330.388 2.851 10 5 EFBEHN C[C@]12C[C@H]1CCC[C@@H]2NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000337486250 475060455 /nfs/dbraw/zinc/06/04/55/475060455.db2.gz SPTAJIQXICDNPW-KCXAZCMYSA-N 0 3 338.429 2.537 10 5 EFBEHN COc1ccc(CC(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000609346808 480151082 /nfs/dbraw/zinc/15/10/82/480151082.db2.gz PMHPPEVQBPDFTC-OKILXGFUSA-N 0 3 349.431 2.525 10 5 EFBEHN CCN1CC[C@H]2OCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000339395710 475193397 /nfs/dbraw/zinc/19/33/97/475193397.db2.gz PIISNMNTNUACRG-JKSUJKDBSA-N 0 3 339.823 2.543 10 5 EFBEHN COc1ccccc1[C@@H]1CNCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000262206798 475198945 /nfs/dbraw/zinc/19/89/45/475198945.db2.gz LDYMRWVJHZUKKP-KRWDZBQOSA-N 0 3 345.374 2.889 10 5 EFBEHN CNc1c(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000361212377 475274174 /nfs/dbraw/zinc/27/41/74/475274174.db2.gz MVYHPZMTRJQSKD-STQMWFEESA-N 0 3 334.420 2.629 10 5 EFBEHN CCO[C@@H]1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000339600730 475337310 /nfs/dbraw/zinc/33/73/10/475337310.db2.gz YZKVPPDEPJSXHZ-OSPSXTLGSA-N 0 3 342.399 2.813 10 5 EFBEHN CNC(=O)c1cccc(CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000352543484 475396977 /nfs/dbraw/zinc/39/69/77/475396977.db2.gz FRXWMJAIOWOBFS-UHFFFAOYSA-N 0 3 327.384 2.629 10 5 EFBEHN COc1ccc2c(c1)CCC[C@@H]2N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000358226150 475507697 /nfs/dbraw/zinc/50/76/97/475507697.db2.gz CUXSHSKMEIXSHS-INIZCTEOSA-N 0 3 330.388 2.809 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000338041571 475537183 /nfs/dbraw/zinc/53/71/83/475537183.db2.gz GDSYZEGACVMGLE-QGZVFWFLSA-N 0 3 341.411 2.806 10 5 EFBEHN Cc1cc(NCC[C@@H](O)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000358521516 475742451 /nfs/dbraw/zinc/74/24/51/475742451.db2.gz PGWWQNIVUGUPEJ-CYBMUJFWSA-N 0 3 329.278 2.599 10 5 EFBEHN Cc1c(CNC(=O)NCCN2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358549535 475763896 /nfs/dbraw/zinc/76/38/96/475763896.db2.gz YIWWFKSYOUOHIT-ZDUSSCGKSA-N 0 3 334.420 2.577 10 5 EFBEHN C[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297457546 475764432 /nfs/dbraw/zinc/76/44/32/475764432.db2.gz CCBXPMSVNNMFJX-XEZPLFJOSA-N 0 3 334.420 2.780 10 5 EFBEHN CS[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000362016402 475939205 /nfs/dbraw/zinc/93/92/05/475939205.db2.gz PKXUPCJFGFNJIL-STQMWFEESA-N 0 3 327.475 2.668 10 5 EFBEHN Cc1c(NC(=O)CCN2CCC[C@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000362447011 476257186 /nfs/dbraw/zinc/25/71/86/476257186.db2.gz JVEBWDFQAHYREY-YOEHRIQHSA-N 0 3 347.415 2.733 10 5 EFBEHN O=[N+]([O-])c1ccc(CCN2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375428754 476833131 /nfs/dbraw/zinc/83/31/31/476833131.db2.gz WJCQRZSPUGDPFM-AWEZNQCLSA-N 0 3 328.372 2.887 10 5 EFBEHN CCOc1ccc(C(=O)NCCN2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000457076631 476860476 /nfs/dbraw/zinc/86/04/76/476860476.db2.gz OCILWYCEJXGBDB-UHFFFAOYSA-N 0 3 335.404 2.598 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCc3nc[nH]c3C2)c1 ZINC000370730649 476956203 /nfs/dbraw/zinc/95/62/03/476956203.db2.gz PSHKWWCQQBGWBO-JTQLQIEISA-N 0 3 338.314 2.566 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCc3[nH]cnc3C2)c1 ZINC000370730649 476956206 /nfs/dbraw/zinc/95/62/06/476956206.db2.gz PSHKWWCQQBGWBO-JTQLQIEISA-N 0 3 338.314 2.566 10 5 EFBEHN C[C@@H]1C[C@@H]1N1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000447588480 477018420 /nfs/dbraw/zinc/01/84/20/477018420.db2.gz VBABQASRETYUDD-AQMVCYDESA-N 0 3 329.400 2.571 10 5 EFBEHN O=[N+]([O-])c1ccc2[nH]c(N3CCN(C4CCCCC4)CC3)nc2c1 ZINC000447685772 477036888 /nfs/dbraw/zinc/03/68/88/477036888.db2.gz NOJDGRRFOBWMAL-UHFFFAOYSA-N 0 3 329.404 2.926 10 5 EFBEHN O=[N+]([O-])c1ccccc1C[C@@H](N[C@@H]1CNCCC1(F)F)C1CC1 ZINC000423485808 477044331 /nfs/dbraw/zinc/04/43/31/477044331.db2.gz RWWFJUXQHKNTQW-UKRRQHHQSA-N 0 3 325.359 2.503 10 5 EFBEHN CCOc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000375900185 477070930 /nfs/dbraw/zinc/07/09/30/477070930.db2.gz GNOWFGATXHFLRI-ZFWWWQNUSA-N 0 3 347.415 2.692 10 5 EFBEHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)n1 ZINC000375917397 477082145 /nfs/dbraw/zinc/08/21/45/477082145.db2.gz GELMHZXBPYRWPH-UHFFFAOYSA-N 0 3 342.359 2.612 10 5 EFBEHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1CN(C)C ZINC000458325933 477352544 /nfs/dbraw/zinc/35/25/44/477352544.db2.gz UPPPIQKNZSDCJB-UHFFFAOYSA-N 0 3 328.372 2.921 10 5 EFBEHN C[C@H](NC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458886789 477642776 /nfs/dbraw/zinc/64/27/76/477642776.db2.gz IRFLRLNSIJAGLS-LRDDRELGSA-N 0 3 332.404 2.534 10 5 EFBEHN CN(C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000427977925 477797514 /nfs/dbraw/zinc/79/75/14/477797514.db2.gz ADJLMTRCURMNFH-MRXNPFEDSA-N 0 3 325.372 2.608 10 5 EFBEHN Cn1cc(CNCCOC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000558937657 477944605 /nfs/dbraw/zinc/94/46/05/477944605.db2.gz KYNVRGNRKSTVQC-UHFFFAOYSA-N 0 3 332.404 2.900 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@](O)(CO)C2)s1 ZINC000459727801 478061723 /nfs/dbraw/zinc/06/17/23/478061723.db2.gz REFQRTZWBKOMNX-QGZVFWFLSA-N 0 3 348.424 2.643 10 5 EFBEHN CNc1ccc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000517396882 478091109 /nfs/dbraw/zinc/09/11/09/478091109.db2.gz PKCRVYMAIWUSFF-BETUJISGSA-N 0 3 334.420 2.629 10 5 EFBEHN CCC[C@@H](C)[C@@H](CO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000570097801 478281607 /nfs/dbraw/zinc/28/16/07/478281607.db2.gz LETYMMJAJRFCBN-ZWNOBZJWSA-N 0 3 343.811 2.573 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600229869 478300754 /nfs/dbraw/zinc/30/07/54/478300754.db2.gz WIAHCBFZIZZZPE-HNNXBMFYSA-N 0 3 347.415 2.740 10 5 EFBEHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN1C1CCCC1 ZINC000600471478 478382883 /nfs/dbraw/zinc/38/28/83/478382883.db2.gz KYXRECPHBKYPNQ-KRWDZBQOSA-N 0 3 331.416 2.661 10 5 EFBEHN COc1cc(CNC[C@@H]2CCC3(CCCC3)O2)c([N+](=O)[O-])cc1O ZINC000594520795 478424333 /nfs/dbraw/zinc/42/43/33/478424333.db2.gz BUKUBDBCFBDFDB-ZDUSSCGKSA-N 0 3 336.388 2.890 10 5 EFBEHN COc1cccc([N+](=O)[O-])c1N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000594571835 478444960 /nfs/dbraw/zinc/44/49/60/478444960.db2.gz ACEMHYLGFNZFME-ZFWWWQNUSA-N 0 3 337.445 2.619 10 5 EFBEHN O=c1[nH]c(N[C@@H]2CCCN3CCCC[C@H]23)nc2ccc([N+](=O)[O-])cc21 ZINC000594597586 478457704 /nfs/dbraw/zinc/45/77/04/478457704.db2.gz DATVULJVPDKVSQ-HUUCEWRRSA-N 0 3 343.387 2.672 10 5 EFBEHN O=[N+]([O-])c1ccccc1CCNCc1cnnn1Cc1ccccc1 ZINC000491344431 478517059 /nfs/dbraw/zinc/51/70/59/478517059.db2.gz AGAWLVVPYDGSDN-UHFFFAOYSA-N 0 3 337.383 2.567 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597856859 478541904 /nfs/dbraw/zinc/54/19/04/478541904.db2.gz BNBBYVIZPRNYQG-CYBMUJFWSA-N 0 3 339.823 2.780 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597858847 478544676 /nfs/dbraw/zinc/54/46/76/478544676.db2.gz POLUEHBKRZHTHW-GFCCVEGCSA-N 0 3 330.388 2.679 10 5 EFBEHN CC(C)Oc1cc(C(=O)NC[C@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597861291 478548746 /nfs/dbraw/zinc/54/87/46/478548746.db2.gz SHVURVWNFDESLU-CQSZACIVSA-N 0 3 349.431 2.985 10 5 EFBEHN CC(C)(C)N1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597925542 478579251 /nfs/dbraw/zinc/57/92/51/478579251.db2.gz WVCLXAHLCBPMOR-NSHDSACASA-N 0 3 330.388 2.679 10 5 EFBEHN CO[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000594954078 478602917 /nfs/dbraw/zinc/60/29/17/478602917.db2.gz XJMXVESGWRGSRU-RDTXWAMCSA-N 0 3 346.383 2.996 10 5 EFBEHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cn(C4CCC4)nn3)c2c1 ZINC000594954695 478603240 /nfs/dbraw/zinc/60/32/40/478603240.db2.gz LQLVTCMIODSOJV-UHFFFAOYSA-N 0 3 340.387 2.725 10 5 EFBEHN COC[C@@H](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OC ZINC000594956724 478604582 /nfs/dbraw/zinc/60/45/82/478604582.db2.gz ZMYBGCLYGGUDPO-MRXNPFEDSA-N 0 3 334.372 2.996 10 5 EFBEHN C[C@]1(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(F)F ZINC000594976402 478614773 /nfs/dbraw/zinc/61/47/73/478614773.db2.gz DBIMVZBYZFPJQQ-AWEZNQCLSA-N 0 3 328.315 2.891 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2CCC(O)CC2)c1 ZINC000594992447 478620184 /nfs/dbraw/zinc/62/01/84/478620184.db2.gz RQDWRMMLTOZXMH-UHFFFAOYSA-N 0 3 330.331 2.837 10 5 EFBEHN O=C(N1CC[C@H](N2CCCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601030964 478621656 /nfs/dbraw/zinc/62/16/56/478621656.db2.gz AZUYMFKYZLBWCR-KRWDZBQOSA-N 0 3 343.427 2.713 10 5 EFBEHN CCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(CC)C1 ZINC000598039453 478626937 /nfs/dbraw/zinc/62/69/37/478626937.db2.gz KDILLHOATUVEST-OCCSQVGLSA-N 0 3 337.395 2.780 10 5 EFBEHN COC[C@@H](CC1CCOCC1)NCc1cc([N+](=O)[O-])ccc1OC ZINC000595011657 478627891 /nfs/dbraw/zinc/62/78/91/478627891.db2.gz KLRQURDBKHOURS-OAHLLOKOSA-N 0 3 338.404 2.525 10 5 EFBEHN CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC)C1 ZINC000598041269 478628324 /nfs/dbraw/zinc/62/83/24/478628324.db2.gz KTJVRNDXODSVNE-CQSZACIVSA-N 0 3 337.445 2.630 10 5 EFBEHN CCOc1ccc(C(=O)N(CC)[C@H]2CCN(CC)C2)cc1[N+](=O)[O-] ZINC000598041795 478628652 /nfs/dbraw/zinc/62/86/52/478628652.db2.gz MZIAJMOKIZMVJG-AWEZNQCLSA-N 0 3 335.404 2.550 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCN1CCCCCC1 ZINC000601104599 478658026 /nfs/dbraw/zinc/65/80/26/478658026.db2.gz ZRKWYYBHCKPMDJ-UHFFFAOYSA-N 0 3 335.330 2.635 10 5 EFBEHN CN(C)CCOc1ccc(CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601106186 478660039 /nfs/dbraw/zinc/66/00/39/478660039.db2.gz VALUZJCVTSOYBB-UHFFFAOYSA-N 0 3 334.351 2.681 10 5 EFBEHN COC(=O)COc1ccc(CN[C@]23C[C@H]2CCCC3)cc1[N+](=O)[O-] ZINC000601148361 478688330 /nfs/dbraw/zinc/68/83/30/478688330.db2.gz AEBQZOSCZVOMIH-CXAGYDPISA-N 0 3 334.372 2.569 10 5 EFBEHN C[C@](CO)(Cc1ccc(F)cc1)NCc1ccc([N+](=O)[O-])cc1F ZINC000601152904 478691421 /nfs/dbraw/zinc/69/14/21/478691421.db2.gz ISEFVQMFZMGTQK-QGZVFWFLSA-N 0 3 336.338 2.956 10 5 EFBEHN O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1csc([N+](=O)[O-])c1 ZINC000595259235 478705620 /nfs/dbraw/zinc/70/56/20/478705620.db2.gz ZNXMTWDIPBDSRB-CYBMUJFWSA-N 0 3 333.369 2.570 10 5 EFBEHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000595259213 478706081 /nfs/dbraw/zinc/70/60/81/478706081.db2.gz YXSIXCIQVMFQKC-LBPRGKRZSA-N 0 3 333.369 2.570 10 5 EFBEHN Cc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595259186 478706199 /nfs/dbraw/zinc/70/61/99/478706199.db2.gz YPXRFRHHANDLGN-KRWDZBQOSA-N 0 3 341.367 2.816 10 5 EFBEHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000591985129 478734052 /nfs/dbraw/zinc/73/40/52/478734052.db2.gz FKULDCOHGJIISJ-CVEARBPZSA-N 0 3 343.431 2.877 10 5 EFBEHN Cc1c([C@@H](C)NCCOCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000601294723 478768988 /nfs/dbraw/zinc/76/89/88/478768988.db2.gz PZTQHWFYNKLWIN-CYBMUJFWSA-N 0 3 338.404 2.912 10 5 EFBEHN C[C@@H]1Cc2ccccc2[C@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564652218 478778786 /nfs/dbraw/zinc/77/87/86/478778786.db2.gz VOCIWXUFGMNTRD-NRXGSXMXSA-N 0 3 342.395 2.858 10 5 EFBEHN C[C@H](O)CCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132880 478789952 /nfs/dbraw/zinc/78/99/52/478789952.db2.gz PBJJXFOSPAERBY-XIRDDKMYSA-N 0 3 336.432 2.861 10 5 EFBEHN CC(C)[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132744 478790153 /nfs/dbraw/zinc/79/01/53/478790153.db2.gz NNFYRVGJYGQQDU-JFIYKMOQSA-N 0 3 336.432 2.717 10 5 EFBEHN Cn1cnc(CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000592373217 478872628 /nfs/dbraw/zinc/87/26/28/478872628.db2.gz GGVIGSLUBSCLNE-UHFFFAOYSA-N 0 3 341.371 2.706 10 5 EFBEHN CCC(C)(C)[C@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595638250 478906068 /nfs/dbraw/zinc/90/60/68/478906068.db2.gz DSBFNNYKUQDFRA-JTQLQIEISA-N 0 3 337.376 2.676 10 5 EFBEHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000595665554 478923065 /nfs/dbraw/zinc/92/30/65/478923065.db2.gz VSHQIZHHSZLNFX-HNNXBMFYSA-N 0 3 348.447 2.652 10 5 EFBEHN Cc1sc(C(=O)N2CCc3ccccc3[C@H]2CN)cc1[N+](=O)[O-] ZINC000592567553 478942644 /nfs/dbraw/zinc/94/26/44/478942644.db2.gz RDAUXZADIFLKPM-CQSZACIVSA-N 0 3 331.397 2.663 10 5 EFBEHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595768736 478985582 /nfs/dbraw/zinc/98/55/82/478985582.db2.gz GRYMZOWWVPERQX-BBRMVZONSA-N 0 3 332.379 2.968 10 5 EFBEHN O=[N+]([O-])c1ccccc1OCCN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595905586 479063163 /nfs/dbraw/zinc/06/31/63/479063163.db2.gz VXWZABXIIOHCGX-HDICACEKSA-N 0 3 332.400 2.866 10 5 EFBEHN CN1C[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592880219 479087199 /nfs/dbraw/zinc/08/71/99/479087199.db2.gz FFIVPZVKTGKINB-WBVHZDCISA-N 0 3 339.395 2.670 10 5 EFBEHN C[C@H](NC(=O)NC[C@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971949 479107352 /nfs/dbraw/zinc/10/73/52/479107352.db2.gz JREVHGJBXUCKJW-SUMWQHHRSA-N 0 3 346.431 2.972 10 5 EFBEHN COc1ccc(CNC[C@]2(C)COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000598985131 479115131 /nfs/dbraw/zinc/11/51/31/479115131.db2.gz JCAVSBBCLATRBX-GOSISDBHSA-N 0 3 344.367 2.923 10 5 EFBEHN COc1cc(CN[C@H]2COc3cccc(C)c3C2)c([N+](=O)[O-])cc1O ZINC000598988124 479116210 /nfs/dbraw/zinc/11/62/10/479116210.db2.gz WTHOCDZVNOXJNV-CYBMUJFWSA-N 0 3 344.367 2.711 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000515087270 479119121 /nfs/dbraw/zinc/11/91/21/479119121.db2.gz GVDBNZBNKDGZJK-SJORKVTESA-N 0 3 346.408 2.514 10 5 EFBEHN CN(C)CCN1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596076700 479123242 /nfs/dbraw/zinc/12/32/42/479123242.db2.gz NYIHGIMBUVFOCT-UHFFFAOYSA-N 0 3 342.390 2.970 10 5 EFBEHN CC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000593021892 479128012 /nfs/dbraw/zinc/12/80/12/479128012.db2.gz QUNNQBHNQTXZNL-HNNXBMFYSA-N 0 3 336.388 2.676 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@H](C)[C@H](OC)C2(C)C)c1 ZINC000593029557 479133211 /nfs/dbraw/zinc/13/32/11/479133211.db2.gz BYHZANAGRQMBBB-VQISRLSMSA-N 0 3 336.388 2.531 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000593030029 479133498 /nfs/dbraw/zinc/13/34/98/479133498.db2.gz HVERUNFCONXGAQ-DJIMGWMZSA-N 0 3 348.399 2.507 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000593030032 479133681 /nfs/dbraw/zinc/13/36/81/479133681.db2.gz HVERUNFCONXGAQ-USXIJHARSA-N 0 3 348.399 2.507 10 5 EFBEHN CCO[C@@H]1CCCC[C@H]1NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593032243 479134843 /nfs/dbraw/zinc/13/48/43/479134843.db2.gz OSSAQVFDYSXNJZ-GDBMZVCRSA-N 0 3 336.388 2.819 10 5 EFBEHN CN1CCOC[C@@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599082673 479153468 /nfs/dbraw/zinc/15/34/68/479153468.db2.gz XWZNJBRQKXJTHN-OALUTQOASA-N 0 3 341.411 2.604 10 5 EFBEHN COC(=O)c1c(Cl)c(N[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596146823 479163962 /nfs/dbraw/zinc/16/39/62/479163962.db2.gz QGJPAEBHWFQGSH-ZJUUUORDSA-N 0 3 341.795 2.929 10 5 EFBEHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCN1C1CCCCC1 ZINC000599128314 479172452 /nfs/dbraw/zinc/17/24/52/479172452.db2.gz WKECZLONORQWFL-ZDUSSCGKSA-N 0 3 332.404 2.513 10 5 EFBEHN COc1cc(N2C[C@H](SC)[C@@H](N(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596180532 479184085 /nfs/dbraw/zinc/18/40/85/479184085.db2.gz UXGJHGYMEJVGQR-JSGCOSHPSA-N 0 3 345.852 2.739 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCN2C2CCCC2)c1 ZINC000599166490 479191322 /nfs/dbraw/zinc/19/13/22/479191322.db2.gz WNIDZSGPKYKNIU-AWEZNQCLSA-N 0 3 333.388 2.810 10 5 EFBEHN COC(=O)Cc1ccc(NC[C@H]2CCN2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309837 479247559 /nfs/dbraw/zinc/24/75/59/479247559.db2.gz XYKYBFJPQAEZNX-CYBMUJFWSA-N 0 3 335.404 2.595 10 5 EFBEHN CCOC(=O)Cc1ccc(NC[C@H]2CCN2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309516 479248440 /nfs/dbraw/zinc/24/84/40/479248440.db2.gz STEQLLSRDXZVCO-CQSZACIVSA-N 0 3 349.431 2.985 10 5 EFBEHN O=[N+]([O-])c1ccc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)s1 ZINC000596422569 479289144 /nfs/dbraw/zinc/28/91/44/479289144.db2.gz FGWQOKJLWOGFFC-CQSZACIVSA-N 0 3 333.413 2.835 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000585717005 479315668 /nfs/dbraw/zinc/31/56/68/479315668.db2.gz SQMMAJGOJAUPRW-WBVHZDCISA-N 0 3 333.432 2.843 10 5 EFBEHN C[C@H](CCN1CCN(C)CC1)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593467386 479353859 /nfs/dbraw/zinc/35/38/59/479353859.db2.gz LRSHINLRBBSCNO-CQSZACIVSA-N 0 3 343.431 2.581 10 5 EFBEHN CN1CCN(CCNc2ccnc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000593473830 479357562 /nfs/dbraw/zinc/35/75/62/479357562.db2.gz FTIQZVNATGCPDH-UHFFFAOYSA-N 0 3 343.431 2.581 10 5 EFBEHN CCN(CC)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccco1 ZINC000587520985 479372653 /nfs/dbraw/zinc/37/26/53/479372653.db2.gz ZWMZIOIYRDYLCD-OAHLLOKOSA-N 0 3 348.403 2.757 10 5 EFBEHN COC(=O)C1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000599687650 479391391 /nfs/dbraw/zinc/39/13/91/479391391.db2.gz FIIRCHJHCJQVMX-CHWSQXEVSA-N 0 3 336.388 2.636 10 5 EFBEHN CC[C@@]1(C)CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593615312 479403511 /nfs/dbraw/zinc/40/35/11/479403511.db2.gz MUHYYGLCIYOTQN-HOTGVXAUSA-N 0 3 340.445 2.927 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@]1(CO)CCc2ccccc21 ZINC000593652889 479413157 /nfs/dbraw/zinc/41/31/57/479413157.db2.gz OJABFLDKNLKPJV-LJQANCHMSA-N 0 3 326.396 2.869 10 5 EFBEHN COc1ccc(NC(=O)NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000599769852 479419428 /nfs/dbraw/zinc/41/94/28/479419428.db2.gz BYXOUTGRVSPHML-AWEZNQCLSA-N 0 3 348.403 2.742 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000599780271 479422985 /nfs/dbraw/zinc/42/29/85/479422985.db2.gz NBVANYZPNCRFKM-AWEZNQCLSA-N 0 3 348.403 2.742 10 5 EFBEHN O=C(CCN1CCC[C@@H](OC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611579769 479423406 /nfs/dbraw/zinc/42/34/06/479423406.db2.gz WDZMCHJQZGEJDF-CYBMUJFWSA-N 0 3 343.330 2.627 10 5 EFBEHN NC(=O)[C@H]1C[C@@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000593716915 479432993 /nfs/dbraw/zinc/43/29/93/479432993.db2.gz LSPUILGABAAMPN-HLLBOEOZSA-N 0 3 325.368 2.538 10 5 EFBEHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCN1C ZINC000599832239 479443167 /nfs/dbraw/zinc/44/31/67/479443167.db2.gz TYGBZTVHQACPKJ-NEPJUHHUSA-N 0 3 343.387 2.747 10 5 EFBEHN CCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1CCN(C)C1 ZINC000599834351 479445760 /nfs/dbraw/zinc/44/57/60/479445760.db2.gz HRXIPJNKLRCKNM-LBPRGKRZSA-N 0 3 343.387 2.701 10 5 EFBEHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599839707 479449484 /nfs/dbraw/zinc/44/94/84/479449484.db2.gz PFLBLOLRPIOYCW-GFCCVEGCSA-N 0 3 343.387 2.701 10 5 EFBEHN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCN(CC)C1 ZINC000596843321 479450837 /nfs/dbraw/zinc/45/08/37/479450837.db2.gz KCHKWSAKOMOYDZ-CYBMUJFWSA-N 0 3 336.392 2.551 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2C2CCOCC2)c1 ZINC000589509530 479535424 /nfs/dbraw/zinc/53/54/24/479535424.db2.gz XODPCMALHXXPPG-INIZCTEOSA-N 0 3 348.399 2.772 10 5 EFBEHN C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@@H](c1ccccc1)N(C)C ZINC000589598038 479543893 /nfs/dbraw/zinc/54/38/93/479543893.db2.gz CZRQRAMDNJNZDS-PXAZEXFGSA-N 0 3 344.415 2.773 10 5 EFBEHN COC(=O)Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000600188178 479571876 /nfs/dbraw/zinc/57/18/76/479571876.db2.gz WGDKNNHJHFHCJW-UHFFFAOYSA-N 0 3 328.368 2.909 10 5 EFBEHN O=[N+]([O-])c1cnc2ccccc2c1N1CCN(c2ccncc2)CC1 ZINC000589859039 479576861 /nfs/dbraw/zinc/57/68/61/479576861.db2.gz NTPUTZAJPQZXRN-UHFFFAOYSA-N 0 3 335.367 2.865 10 5 EFBEHN COc1ccc(-c2ccc(CN(C)CC3CN(C)C3)o2)c([N+](=O)[O-])c1 ZINC000597203077 479618651 /nfs/dbraw/zinc/61/86/51/479618651.db2.gz MNDKAMVCUYWNEO-UHFFFAOYSA-N 0 3 345.399 2.857 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(CO)(CO)C3)s2)cc1 ZINC000597218310 479626262 /nfs/dbraw/zinc/62/62/62/479626262.db2.gz HQUNPNVWLXULGB-UHFFFAOYSA-N 0 3 348.424 2.500 10 5 EFBEHN CC(C)NC(=O)[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597231098 479633496 /nfs/dbraw/zinc/63/34/96/479633496.db2.gz IJIIFDHXXJQTJU-SBSDFTTDSA-N 0 3 331.416 2.845 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cnn(CCN(C)C)c1 ZINC000615720701 479743480 /nfs/dbraw/zinc/74/34/80/479743480.db2.gz UPSQDLQYMMELHO-NTEUORMPSA-N 0 3 329.404 2.868 10 5 EFBEHN CN1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000609598850 480185067 /nfs/dbraw/zinc/18/50/67/480185067.db2.gz ZILCKOREZPBFTE-CYBMUJFWSA-N 0 3 332.429 2.902 10 5 EFBEHN CCOc1ccc(C(=O)N[C@@H](CC)CN2CCCC2)cc1[N+](=O)[O-] ZINC000609833887 480211087 /nfs/dbraw/zinc/21/10/87/480211087.db2.gz ZPQKBODHTUXPLJ-AWEZNQCLSA-N 0 3 335.404 2.598 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000177044448 521630842 /nfs/dbraw/zinc/63/08/42/521630842.db2.gz FHWDKQUFPATRLH-CYBMUJFWSA-N 0 3 325.796 2.805 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177418811 521651825 /nfs/dbraw/zinc/65/18/25/521651825.db2.gz MSLJKSSWPHWULD-BBRMVZONSA-N 0 3 334.420 2.782 10 5 EFBEHN CCc1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2CC)cc1[N+](=O)[O-] ZINC000245407816 523888864 /nfs/dbraw/zinc/88/88/64/523888864.db2.gz CZNLMPIOFVVRMS-HZPDHXFCSA-N 0 3 331.416 2.856 10 5 EFBEHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000177347514 524388185 /nfs/dbraw/zinc/38/81/85/524388185.db2.gz DYWREOYXQAMMST-UHFFFAOYSA-N 0 3 328.372 2.921 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000183290940 525564485 /nfs/dbraw/zinc/56/44/85/525564485.db2.gz WHZPLKOEFIVSSR-OAHLLOKOSA-N 0 3 333.432 2.588 10 5 EFBEHN CN1CC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000424186072 536449588 /nfs/dbraw/zinc/44/95/88/536449588.db2.gz HHLVNRQBZVFPMF-CYBMUJFWSA-N 0 3 343.383 2.813 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152364157 527372530 /nfs/dbraw/zinc/37/25/30/527372530.db2.gz LLFHFLIWIPYOGY-QGZVFWFLSA-N 0 3 329.356 2.522 10 5 EFBEHN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000183363109 528149008 /nfs/dbraw/zinc/14/90/08/528149008.db2.gz MCLIWDRVEOEQJA-IRXDYDNUSA-N 0 3 334.416 2.655 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000160247394 528290837 /nfs/dbraw/zinc/29/08/37/528290837.db2.gz PHHQAQTXCWOQRY-AWEZNQCLSA-N 0 3 346.431 2.711 10 5 EFBEHN CCOC(=O)c1csc(CCNCc2ccc([N+](=O)[O-])cc2C)n1 ZINC000190340162 528335879 /nfs/dbraw/zinc/33/58/79/528335879.db2.gz UAKXMVISSQUFCL-UHFFFAOYSA-N 0 3 349.412 2.869 10 5 EFBEHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000160247521 528498938 /nfs/dbraw/zinc/49/89/38/528498938.db2.gz PHHQAQTXCWOQRY-CQSZACIVSA-N 0 3 346.431 2.711 10 5 EFBEHN CCN1CCC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175436014 529054070 /nfs/dbraw/zinc/05/40/70/529054070.db2.gz TZXSAASOFYBCCH-CQSZACIVSA-N 0 3 334.420 2.613 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000174533101 529096839 /nfs/dbraw/zinc/09/68/39/529096839.db2.gz NSNNOPZJDWWYQG-LBPRGKRZSA-N 0 3 325.796 2.805 10 5 EFBEHN CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CCN1CCOC ZINC000349958272 535436651 /nfs/dbraw/zinc/43/66/51/535436651.db2.gz AUUZQDRLPCQMPY-GOSISDBHSA-N 0 3 335.448 2.836 10 5 EFBEHN CN(C)CCCN(C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000683631572 549925971 /nfs/dbraw/zinc/92/59/71/549925971.db2.gz HZANJPOIZWHMGW-UHFFFAOYSA-N 0 3 337.423 2.705 10 5 EFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000754255470 575411337 /nfs/dbraw/zinc/41/13/37/575411337.db2.gz CBLRPHNZUKWQSA-QAAVPBIRSA-N 0 3 329.400 2.693 10 5 EFBEHN Cc1nn(CN2CCC[C@H]([C@@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761291821 576141080 /nfs/dbraw/zinc/14/10/80/576141080.db2.gz KBUAOJGIWCPLOO-LSDHHAIUSA-N 0 3 344.415 2.959 10 5 EFBEHN Cc1nn(CN2CCC[C@H]([C@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761291815 576141145 /nfs/dbraw/zinc/14/11/45/576141145.db2.gz KBUAOJGIWCPLOO-GJZGRUSLSA-N 0 3 344.415 2.959 10 5 EFBEHN COc1ccc(OC)c([C@H](C)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000765844943 577082257 /nfs/dbraw/zinc/08/22/57/577082257.db2.gz LGVAVFHFHMAESP-YVEFUNNKSA-N 0 3 346.383 2.996 10 5 EFBEHN Cc1cccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001691251718 1248572260 /nfs/dbraw/zinc/57/22/60/1248572260.db2.gz ISVUIPUQKLSZRE-UHFFFAOYSA-N 0 3 327.384 2.765 10 5 EFBEHN CC[C@@H](NCC[S@](=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850491302 1250505990 /nfs/dbraw/zinc/50/59/90/1250505990.db2.gz OBJYBCIZZMOLAD-IPQOISQHSA-N 0 3 338.351 2.947 10 5 EFBEHN C[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850533454 1250524750 /nfs/dbraw/zinc/52/47/50/1250524750.db2.gz ZBXWQXMCLHRPMB-FZQKWOKYSA-N 0 3 327.331 2.642 10 5 EFBEHN C[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nccn1C ZINC000850571880 1250542252 /nfs/dbraw/zinc/54/22/52/1250542252.db2.gz DINPGQJCWIZVFA-ZDUSSCGKSA-N 0 3 329.404 2.648 10 5 EFBEHN CO[C@@H]1CC[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000851107994 1250800216 /nfs/dbraw/zinc/80/02/16/1250800216.db2.gz HNHJACHVKUWUGW-NWJSVONSSA-N 0 3 325.336 2.890 10 5 EFBEHN Cc1c[nH]cc1C(=O)N(C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001484768152 1252970793 /nfs/dbraw/zinc/97/07/93/1252970793.db2.gz HBZYGVIMNITYRI-UHFFFAOYSA-N 0 3 344.415 2.825 10 5 EFBEHN Cc1ccc(C(=O)NCC2(NCc3cccc([N+](=O)[O-])c3)CCC2)o1 ZINC001273041124 1266578450 /nfs/dbraw/zinc/57/84/50/1266578450.db2.gz YQSKLLLQKQHHIV-UHFFFAOYSA-N 0 3 343.383 2.939 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)o1 ZINC000922723781 1266680216 /nfs/dbraw/zinc/68/02/16/1266680216.db2.gz CYOBWUSKFMPAQG-DFHBCGBQSA-N 0 3 344.367 2.748 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@H](N(C)C)C(F)(F)F ZINC000922754580 1266737378 /nfs/dbraw/zinc/73/73/78/1266737378.db2.gz YZPLFDBWLCBIRB-AWEZNQCLSA-N 0 3 349.353 2.966 10 5 EFBEHN Cc1ccc2c(c1C)OC[C@H]2NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819013610 1276588238 /nfs/dbraw/zinc/58/82/38/1276588238.db2.gz DUJIFSHONSMQON-IAGOWNOFSA-N 0 3 328.368 2.968 10 5 EFBEHN COC(=O)N1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872026947 1287405139 /nfs/dbraw/zinc/40/51/39/1287405139.db2.gz JCQIYUFPZPXBAI-JTQLQIEISA-N 0 3 325.340 2.615 10 5 EFBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)Cc2ccsc2)n1 ZINC001129701703 1280314997 /nfs/dbraw/zinc/31/49/97/1280314997.db2.gz WJMVIJIMUXYJOC-UHFFFAOYSA-N 0 3 348.428 2.564 10 5 EFBEHN C[C@H](NCCC1(CS(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086013 1287424754 /nfs/dbraw/zinc/42/47/54/1287424754.db2.gz SYSKVLCBGVXDOS-NSHDSACASA-N 0 3 344.408 2.599 10 5 EFBEHN Cc1ccnc([C@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000846969231 1280670552 /nfs/dbraw/zinc/67/05/52/1280670552.db2.gz MRXUXAVYCQWITG-MAUKXSAKSA-N 0 3 327.384 2.821 10 5 EFBEHN Cc1ccc(CNC[C@@H](O)COCc2cccs2)cc1[N+](=O)[O-] ZINC000872231257 1287488726 /nfs/dbraw/zinc/48/87/26/1287488726.db2.gz FRBLUZGZFQUCJI-CQSZACIVSA-N 0 3 336.413 2.632 10 5 EFBEHN C[C@H](NC[C@@H]1COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554198 1287591154 /nfs/dbraw/zinc/59/11/54/1287591154.db2.gz UQZRNBRCBZKWIM-WCQYABFASA-N 0 3 329.356 2.668 10 5 EFBEHN C[C@H](NC[C@H]1COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554196 1287590664 /nfs/dbraw/zinc/59/06/64/1287590664.db2.gz UQZRNBRCBZKWIM-AAEUAGOBSA-N 0 3 329.356 2.668 10 5 EFBEHN C[C@@H](NCCn1cnc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 ZINC001176030118 1287663689 /nfs/dbraw/zinc/66/36/89/1287663689.db2.gz YTQUYCXBABGRCC-CYBMUJFWSA-N 0 3 338.367 2.656 10 5 EFBEHN COc1ccc(CNC[C@@H](O)c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000747818783 1285424803 /nfs/dbraw/zinc/42/48/03/1285424803.db2.gz MJWFYYUSCAAEPR-MRXNPFEDSA-N 0 3 334.347 2.874 10 5 EFBEHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCCC(C)C ZINC000813102604 1285655233 /nfs/dbraw/zinc/65/52/33/1285655233.db2.gz SWHWLAIZJKRNKW-GFCCVEGCSA-N 0 3 325.361 2.942 10 5 EFBEHN CC(COC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[N+](=O)[O-] ZINC000813105236 1285676443 /nfs/dbraw/zinc/67/64/43/1285676443.db2.gz KXHOSCSBYPVNJP-IEBDPFPHSA-N 0 3 333.262 2.897 10 5 EFBEHN CC(COC(=O)c1ccccc1OCCOc1ccccc1)[N+](=O)[O-] ZINC000813106159 1285678270 /nfs/dbraw/zinc/67/82/70/1285678270.db2.gz ZPSSDULEZCBDEE-CQSZACIVSA-N 0 3 345.351 2.966 10 5 EFBEHN CC(COC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)[N+](=O)[O-] ZINC000813106601 1285678537 /nfs/dbraw/zinc/67/85/37/1285678537.db2.gz FBOFGGZGNZHMRN-VIFPVBQESA-N 0 3 343.261 2.713 10 5 EFBEHN CC(COC(=O)CSCc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813106143 1285678769 /nfs/dbraw/zinc/67/87/69/1285678769.db2.gz ZILTXYPAVRKLGK-SECBINFHSA-N 0 3 348.218 2.891 10 5 EFBEHN CC(COC(=O)c1ccccc1OCCOc1ccccc1)[N+](=O)[O-] ZINC000813106158 1285679348 /nfs/dbraw/zinc/67/93/48/1285679348.db2.gz ZPSSDULEZCBDEE-AWEZNQCLSA-N 0 3 345.351 2.966 10 5 EFBEHN CC(COC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)[N+](=O)[O-] ZINC000813109321 1285682156 /nfs/dbraw/zinc/68/21/56/1285682156.db2.gz IAMUPBBRDLXANA-KPXOXKRLSA-N 0 3 333.262 2.897 10 5 EFBEHN CC(COC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)[N+](=O)[O-] ZINC000813110548 1285682249 /nfs/dbraw/zinc/68/22/49/1285682249.db2.gz DDMMVCNOSUCRIG-SECBINFHSA-N 0 3 343.261 2.713 10 5 EFBEHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001171936716 1285933982 /nfs/dbraw/zinc/93/39/82/1285933982.db2.gz FTPMHONWHIOBDT-JKIFEVAISA-N 0 3 334.416 2.975 10 5 EFBEHN CCN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CCN(C)C1 ZINC000823254566 1289250731 /nfs/dbraw/zinc/25/07/31/1289250731.db2.gz YLQNWBMUIFCVBI-JTQLQIEISA-N 0 3 326.784 2.806 10 5 EFBEHN C[C@H](NC[C@H](O)C[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000878660505 1291746120 /nfs/dbraw/zinc/74/61/20/1291746120.db2.gz UJBMEACREJIAEM-MORSLUCNSA-N 0 3 330.384 2.730 10 5 EFBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001194262298 1293574922 /nfs/dbraw/zinc/57/49/22/1293574922.db2.gz MAMPPSNECPOAPR-SJLPKXTDSA-N 0 3 334.416 2.797 10 5 EFBEHN CC1(C)CO[C@H](CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000886306955 1294838054 /nfs/dbraw/zinc/83/80/54/1294838054.db2.gz FMAFDYPUHSLIOW-CYBMUJFWSA-N 0 3 336.388 2.661 10 5 EFBEHN COC(=O)N1CCC[C@H]([C@H](C)NCc2c(F)cccc2[N+](=O)[O-])C1 ZINC000775818391 1294874369 /nfs/dbraw/zinc/87/43/69/1294874369.db2.gz XFKORQBKQVNJPH-RYUDHWBXSA-N 0 3 339.367 2.690 10 5 EFBEHN O=C(CCC(F)F)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001691726864 1295304126 /nfs/dbraw/zinc/30/41/26/1295304126.db2.gz GHBIMCSWIZTVAK-BJHJDKERSA-N 0 3 341.358 2.625 10 5 EFBEHN O=C(/C=C\c1ccco1)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001273804884 1295920185 /nfs/dbraw/zinc/92/01/85/1295920185.db2.gz KVRINSKVQSHAMY-REXUQAFDSA-N 0 3 341.367 2.663 10 5 EFBEHN Cc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000927041200 1296981436 /nfs/dbraw/zinc/98/14/36/1296981436.db2.gz AUQCTYWGSKKDDN-PRTUASRFSA-N 0 3 338.429 2.662 10 5 EFBEHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000931626075 1297357815 /nfs/dbraw/zinc/35/78/15/1297357815.db2.gz NOYDXSHQIVWBEN-IINYFYTJSA-N 0 3 338.795 2.724 10 5 EFBEHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000931626074 1297358588 /nfs/dbraw/zinc/35/85/88/1297358588.db2.gz NOYDXSHQIVWBEN-HZMBPMFUSA-N 0 3 338.795 2.724 10 5 EFBEHN CN(CCCNC(=O)C1(C(F)F)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001490196885 1298626787 /nfs/dbraw/zinc/62/67/87/1298626787.db2.gz QJSOZEONBUGACQ-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590097 1299686847 /nfs/dbraw/zinc/68/68/47/1299686847.db2.gz CDXKCLZDFUJGLJ-OMWUSAIZSA-N 0 3 342.395 2.952 10 5 EFBEHN COc1cc(NC[C@H]2CN3CCC[C@H]3CO2)c(Cl)cc1[N+](=O)[O-] ZINC000853242736 1300062614 /nfs/dbraw/zinc/06/26/14/1300062614.db2.gz WLAVYEXGVRYAPL-QWRGUYRKSA-N 0 3 341.795 2.532 10 5 EFBEHN C[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccns1 ZINC000860058042 1301686388 /nfs/dbraw/zinc/68/63/88/1301686388.db2.gz FVVMZFHRKZLXRX-VIFPVBQESA-N 0 3 338.364 2.870 10 5 EFBEHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4ccccc43)[C@H]2C1 ZINC000861807859 1302210537 /nfs/dbraw/zinc/21/05/37/1302210537.db2.gz GLRHYCHWXMGMRB-DYVFJYSZSA-N 0 3 325.368 2.524 10 5 EFBEHN COc1cc(C[NH2+]C[C@@H]2CCC23CCOCC3)c([N+](=O)[O-])cc1[O-] ZINC000865777734 1303396866 /nfs/dbraw/zinc/39/68/66/1303396866.db2.gz BHIRLCGBNUFLFS-ZDUSSCGKSA-N 0 3 336.388 2.605 10 5 EFBEHN CC1(C)[C@H](N)c2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000867992186 1304064632 /nfs/dbraw/zinc/06/46/32/1304064632.db2.gz YDGICNUPYMHDFU-QGZVFWFLSA-N 0 3 341.367 2.799 10 5 EFBEHN CC1(C)[C@@H](N)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000867991294 1304064797 /nfs/dbraw/zinc/06/47/97/1304064797.db2.gz NQBYZVYMXZEBGX-KRWDZBQOSA-N 0 3 325.368 2.963 10 5 EFBEHN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCC1(C)C ZINC000871150038 1305836112 /nfs/dbraw/zinc/83/61/12/1305836112.db2.gz JHUZHPUGJUNKDJ-UHFFFAOYSA-N 0 3 325.796 2.805 10 5 EFBEHN Cc1cc([C@H](N)CC(=O)NCc2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000827821311 1316020158 /nfs/dbraw/zinc/02/01/58/1316020158.db2.gz VMWNDKBGPBUKCR-CQSZACIVSA-N 0 3 348.790 2.658 10 5 EFBEHN Cc1cccnc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001264974814 1316676721 /nfs/dbraw/zinc/67/67/21/1316676721.db2.gz NICFLFHXNVTUNQ-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN CC/C(C)=C\C(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001279363802 1317245861 /nfs/dbraw/zinc/24/58/61/1317245861.db2.gz WKROBSDBTIXNAK-YSLZGXTCSA-N 0 3 343.427 2.841 10 5 EFBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)C1CC=CC1 ZINC001280473637 1317579475 /nfs/dbraw/zinc/57/94/75/1317579475.db2.gz ZHYZPUYJRAIJSD-UHFFFAOYSA-N 0 3 329.400 2.690 10 5 EFBEHN CCN1C[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001304043840 1324634002 /nfs/dbraw/zinc/63/40/02/1324634002.db2.gz ZQYPBTCJARMAOE-NHYWBVRUSA-N 0 3 337.395 2.684 10 5 EFBEHN Cc1ncccc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001316847840 1325214715 /nfs/dbraw/zinc/21/47/15/1325214715.db2.gz DFMQSYRNPLOEPS-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN CC(C)(F)C(=O)NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001316911517 1325329912 /nfs/dbraw/zinc/32/99/12/1325329912.db2.gz GQNWFBUEDRIUAE-UHFFFAOYSA-N 0 3 337.395 2.814 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001320945415 1329323134 /nfs/dbraw/zinc/32/31/34/1329323134.db2.gz UZBRHSFCZJULCD-UPHRSURJSA-N 0 3 343.358 2.810 10 5 EFBEHN Cc1cc(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)co1 ZINC001321042275 1329335781 /nfs/dbraw/zinc/33/57/81/1329335781.db2.gz RXVKLAJXPPGUML-IHWYPQMZSA-N 0 3 329.356 2.572 10 5 EFBEHN CN(CCCN(C)C(=O)c1cccn1C)Cc1cccc([N+](=O)[O-])c1 ZINC001327186559 1330438255 /nfs/dbraw/zinc/43/82/55/1330438255.db2.gz CNWLLERVXJPASB-UHFFFAOYSA-N 0 3 344.415 2.527 10 5 EFBEHN CCc1ccc(C(=O)OC[C@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC001347391996 1332739909 /nfs/dbraw/zinc/73/99/09/1332739909.db2.gz PGSQHWOEOIYCHZ-MRXNPFEDSA-N 0 3 348.399 2.567 10 5 EFBEHN CC[C@@H]1C[C@@H](C)CN1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481262 1334737778 /nfs/dbraw/zinc/73/77/78/1334737778.db2.gz XLVJTKUVNPDCRU-UNEWFSDZSA-N 0 3 331.416 2.989 10 5 EFBEHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@H](C2CC2)C1 ZINC000848483028 1334739253 /nfs/dbraw/zinc/73/92/53/1334739253.db2.gz XNUREJIBKSVXLD-RDJZCZTQSA-N 0 3 329.400 2.600 10 5 EFBEHN CCN(CC1CCC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848486630 1334743757 /nfs/dbraw/zinc/74/37/57/1334743757.db2.gz HVUINGXCEMHQGH-KRWDZBQOSA-N 0 3 331.416 2.990 10 5 EFBEHN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@H](C2CCC2)C1 ZINC000848489168 1334745459 /nfs/dbraw/zinc/74/54/59/1334745459.db2.gz QRLUPJNFBMQGMC-FUHWJXTLSA-N 0 3 343.427 2.990 10 5 EFBEHN COC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001356535677 1335050077 /nfs/dbraw/zinc/05/00/77/1335050077.db2.gz VKTFWVNCXWYDAH-IRXDYDNUSA-N 0 3 334.347 2.745 10 5 EFBEHN C[C@@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)N1CCCC1 ZINC001457529990 1395189032 /nfs/dbraw/zinc/18/90/32/1395189032.db2.gz AKFAOJFOJQCJTO-LBPRGKRZSA-N 0 3 342.399 2.544 10 5 EFBEHN CCN1[C@H](C)CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC001460326674 1396025459 /nfs/dbraw/zinc/02/54/59/1396025459.db2.gz CALPDXLEABXQAU-TXEJJXNPSA-N 0 3 325.384 2.657 10 5 EFBEHN COC(=O)c1ccc2c(c1)CCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001460716924 1396245195 /nfs/dbraw/zinc/24/51/95/1396245195.db2.gz QJDRTVNSSGDVNL-UHFFFAOYSA-N 0 3 340.379 2.982 10 5 EFBEHN COC1(c2nccn2C)CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC001473765279 1397329710 /nfs/dbraw/zinc/32/97/10/1397329710.db2.gz FCZWRMCQIIDFRR-UHFFFAOYSA-N 0 3 344.415 2.774 10 5 EFBEHN CCOc1cc(CN2CCC[C@H]2Cc2ccnn2C)ccc1[N+](=O)[O-] ZINC001473899557 1397348124 /nfs/dbraw/zinc/34/81/24/1397348124.db2.gz PFOXZRIGTIJTHS-INIZCTEOSA-N 0 3 344.415 2.934 10 5 EFBEHN Cc1nscc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001479767336 1397830034 /nfs/dbraw/zinc/83/00/34/1397830034.db2.gz NGGMBRWCSAXTRP-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN Cc1ccc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001493706707 1398822821 /nfs/dbraw/zinc/82/28/21/1398822821.db2.gz NDZCMDSGPDGVRG-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN Cc1cccc(F)c1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001493813168 1398899601 /nfs/dbraw/zinc/89/96/01/1398899601.db2.gz VNFBWZBXPUTGKC-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1[O-] ZINC001497352396 1401322538 /nfs/dbraw/zinc/32/25/38/1401322538.db2.gz UAJATDOYSCEXLH-UHFFFAOYSA-N 0 3 343.383 2.552 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)/C=C\c1ccc[nH]1 ZINC001498536303 1402165365 /nfs/dbraw/zinc/16/53/65/1402165365.db2.gz IOCKGUPVJKIGBM-KTKRTIGZSA-N 0 3 342.399 2.574 10 5 EFBEHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001559686427 1415252539 /nfs/dbraw/zinc/25/25/39/1415252539.db2.gz CBCQUEFBOUZYQV-LLVKDONJSA-N 0 3 333.348 2.667 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1(C(C)(F)F)CC1 ZINC001567561699 1416188784 /nfs/dbraw/zinc/18/87/84/1416188784.db2.gz ZXIBXUDONQAEMX-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN O=C(NCCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)C(F)F ZINC001568123285 1416419223 /nfs/dbraw/zinc/41/92/23/1416419223.db2.gz SIIHZGBSMZEWRN-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC001716265750 1418748383 /nfs/dbraw/zinc/74/83/83/1418748383.db2.gz PNVOJMXGKLAQAO-OWOJBTEDSA-N 0 3 331.397 2.732 10 5 EFBEHN Cc1coc(C)c1C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001716289957 1418753864 /nfs/dbraw/zinc/75/38/64/1418753864.db2.gz NUWSDIFYRMDQKK-ONEGZZNKSA-N 0 3 343.383 2.880 10 5 EFBEHN CC/C(C)=C/C(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001717010187 1419146224 /nfs/dbraw/zinc/14/62/24/1419146224.db2.gz UOOABYHTBKSMNV-NKRZIZCBSA-N 0 3 343.427 2.841 10 5 EFBEHN CN(CCCN(C)C(=O)C(C)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001717203227 1419263942 /nfs/dbraw/zinc/26/39/42/1419263942.db2.gz NIUBUDGQLBKEOH-UHFFFAOYSA-N 0 3 329.347 2.530 10 5 EFBEHN CN(CCCN(C)C(=O)CC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001717204502 1419265315 /nfs/dbraw/zinc/26/53/15/1419265315.db2.gz DOBIPURRLNGGNP-UHFFFAOYSA-N 0 3 347.337 2.828 10 5 EFBEHN CC(COC(=O)CCCOc1ccccc1Br)[N+](=O)[O-] ZINC000813105014 713524366 /nfs/dbraw/zinc/52/43/66/713524366.db2.gz JCZFKBHGBFNEAR-SNVBAGLBSA-N 0 3 346.177 2.817 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ncn(CN3C[C@@H]4CCCC[C@H]4C3)n2)cc1 ZINC000176193257 715179827 /nfs/dbraw/zinc/17/98/27/715179827.db2.gz ZSRKDSPDLYHPFY-GJZGRUSLSA-N 0 3 327.388 2.933 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C1CCCN(C2CC2)C1=O ZINC000924058676 715252248 /nfs/dbraw/zinc/25/22/48/715252248.db2.gz QALXWANUJIEODK-DOMZBBRYSA-N 0 3 346.383 2.908 10 5 EFBEHN CC[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC000893452678 715560595 /nfs/dbraw/zinc/56/05/95/715560595.db2.gz WRZWCLKIFYDPOC-GVDBMIGSSA-N 0 3 346.431 2.924 10 5 EFBEHN C[C@H]1COCC[C@@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC000311533915 718751299 /nfs/dbraw/zinc/75/12/99/718751299.db2.gz YOZNASXUQJJONW-ONGXEEELSA-N 0 3 329.194 2.872 10 5 EFBEHN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CN2CCC1CC2 ZINC000892762391 719134905 /nfs/dbraw/zinc/13/49/05/719134905.db2.gz HCDNTOCFVIJRLY-LJQANCHMSA-N 0 3 339.395 2.962 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCOC23CCOCC3)c1 ZINC000925515638 719823965 /nfs/dbraw/zinc/82/39/65/719823965.db2.gz VHSPRNMRIZHVGV-AWEZNQCLSA-N 0 3 326.780 2.676 10 5 EFBEHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913814364 725875939 /nfs/dbraw/zinc/87/59/39/725875939.db2.gz UPNBOTNFTGBDDP-RYUDHWBXSA-N 0 3 341.770 2.696 10 5 EFBEHN CC(C)[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)N(C)C ZINC000913385371 727830932 /nfs/dbraw/zinc/83/09/32/727830932.db2.gz YUUBSCLETSHLRX-CYBMUJFWSA-N 0 3 331.775 2.590 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC001583736696 1092063254 /nfs/dbraw/zinc/06/32/54/1092063254.db2.gz ORQUUXOTMYKBBQ-AWEZNQCLSA-N 0 3 349.431 2.844 10 5 EFBEHN CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001648412886 1092213318 /nfs/dbraw/zinc/21/33/18/1092213318.db2.gz SLIWIIQDWRVVPB-ZDUSSCGKSA-N 0 3 342.399 2.544 10 5 EFBEHN CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC12CCCCC2 ZINC001651080079 1093524119 /nfs/dbraw/zinc/52/41/19/1093524119.db2.gz XVLYYGQSYRHQSF-UHFFFAOYSA-N 0 3 334.376 2.958 10 5 EFBEHN CC(C)c1ocnc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001267452744 1094542247 /nfs/dbraw/zinc/54/22/47/1094542247.db2.gz RKFGEJBQJSLYNN-UHFFFAOYSA-N 0 3 346.387 2.568 10 5 EFBEHN Cc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)c(N)c1[N+](=O)[O-] ZINC001603046759 1096424794 /nfs/dbraw/zinc/42/47/94/1096424794.db2.gz XMTWPAGUUPYWGU-AWEZNQCLSA-N 0 3 332.404 2.831 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)o1 ZINC001268511479 1097101081 /nfs/dbraw/zinc/10/10/81/1097101081.db2.gz KYPYSULYLWUSJH-OWOJBTEDSA-N 0 3 349.774 2.917 10 5 EFBEHN CCc1occc1C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001268536458 1097143059 /nfs/dbraw/zinc/14/30/59/1097143059.db2.gz MABVXAQXEOOZRI-ARJAWSKDSA-N 0 3 343.383 2.826 10 5 EFBEHN CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1[O-] ZINC001268780126 1097629424 /nfs/dbraw/zinc/62/94/24/1097629424.db2.gz POQIEBNALVSMET-UHFFFAOYSA-N 0 3 343.383 2.552 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C(F)F ZINC001268842391 1097679920 /nfs/dbraw/zinc/67/99/20/1097679920.db2.gz HCQXRORQOGRJID-UHFFFAOYSA-N 0 3 343.374 2.824 10 5 EFBEHN CC(C)C(=O)NCCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001270094606 1098688497 /nfs/dbraw/zinc/68/84/97/1098688497.db2.gz FHHQAKVERNJISM-UHFFFAOYSA-N 0 3 333.432 2.969 10 5 EFBEHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(Cc2nncn2C)CC1 ZINC001620595700 1099362299 /nfs/dbraw/zinc/36/22/99/1099362299.db2.gz JSEVODLHTDBSJE-ZDUSSCGKSA-N 0 3 329.404 2.739 10 5 EFBEHN CSc1ccc(C(=O)NCCN2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001623332216 1099576522 /nfs/dbraw/zinc/57/65/22/1099576522.db2.gz QXPZIXPFHIFZSZ-UHFFFAOYSA-N 0 3 337.445 2.778 10 5 EFBEHN C[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC001624970034 1099757056 /nfs/dbraw/zinc/75/70/56/1099757056.db2.gz NKLSDJDEZQCGIO-NSHDSACASA-N 0 3 337.807 2.557 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC001629345223 1100202373 /nfs/dbraw/zinc/20/23/73/1100202373.db2.gz REBZXDKUAASPCO-AWEZNQCLSA-N 0 3 347.415 2.694 10 5 EFBEHN O=C(c1ccc([N+](=O)[O-])o1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001630445590 1100307843 /nfs/dbraw/zinc/30/78/43/1100307843.db2.gz IMLQCKRJLMKOBN-CABCVRRESA-N 0 3 341.367 2.534 10 5 EFBEHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001634687087 1100623969 /nfs/dbraw/zinc/62/39/69/1100623969.db2.gz QOIBBCMMULCIOQ-XJKSGUPXSA-N 0 3 342.399 2.563 10 5 EFBEHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001634687083 1100623988 /nfs/dbraw/zinc/62/39/88/1100623988.db2.gz QOIBBCMMULCIOQ-CJNGLKHVSA-N 0 3 342.399 2.563 10 5 EFBEHN CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C(C)(C)C1 ZINC001639267344 1100931587 /nfs/dbraw/zinc/93/15/87/1100931587.db2.gz WXKFQSIJVBSOEN-HNNXBMFYSA-N 0 3 342.399 2.603 10 5 EFBEHN CCN1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC001639266954 1100931620 /nfs/dbraw/zinc/93/16/20/1100931620.db2.gz RCFMIRXHKBGWQR-GFCCVEGCSA-N 0 3 325.796 2.708 10 5 EFBEHN COCCN1CC[C@@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001639488881 1100954990 /nfs/dbraw/zinc/95/49/90/1100954990.db2.gz GIZMRHVNCRYWJT-SNVBAGLBSA-N 0 3 333.310 2.746 10 5 EFBEHN CC(C)C1CCC(N2CCN(Cc3cn(C)nc3[N+](=O)[O-])CC2)CC1 ZINC001641967410 1101179993 /nfs/dbraw/zinc/17/99/93/1101179993.db2.gz YUQJWAJFFFJEDM-UHFFFAOYSA-N 0 3 349.479 2.661 10 5 EFBEHN Cc1ncsc1CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001642106062 1101190953 /nfs/dbraw/zinc/19/09/53/1101190953.db2.gz VLCZRSGOVSORTP-ZDUSSCGKSA-N 0 3 347.444 2.874 10 5 EFBEHN Cn1c2ccccc2c(NCCN2CCCC2(C)C)c([N+](=O)[O-])c1=O ZINC001651936848 1101407228 /nfs/dbraw/zinc/40/72/28/1101407228.db2.gz ZYGOOCJQOFPGGT-UHFFFAOYSA-N 0 3 344.415 2.733 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CN(C)CC1(C)C ZINC001652491554 1101501023 /nfs/dbraw/zinc/50/10/23/1101501023.db2.gz LJNVOVJUBVARBK-ZBFHGGJFSA-N 0 3 333.432 2.620 10 5 EFBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1ccco1 ZINC001673139395 1101602916 /nfs/dbraw/zinc/60/29/16/1101602916.db2.gz QMADXWOBMKDICB-UHFFFAOYSA-N 0 3 329.356 2.630 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H]1CCCn2nccc21 ZINC001654611121 1101740052 /nfs/dbraw/zinc/74/00/52/1101740052.db2.gz XBANLRFGJVACCR-OAHLLOKOSA-N 0 3 343.387 2.553 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](c2nnc(N)o2)C1 ZINC001659612851 1102553314 /nfs/dbraw/zinc/55/33/14/1102553314.db2.gz RCBGFVWFGYVBLD-NWDGAFQWSA-N 0 3 331.376 2.809 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cccn1CC ZINC001482968665 1105267465 /nfs/dbraw/zinc/26/74/65/1105267465.db2.gz SNISNGCUDCWUQM-UHFFFAOYSA-N 0 3 344.415 2.668 10 5 EFBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)/C=C/c1ccco1 ZINC001669999957 1105567569 /nfs/dbraw/zinc/56/75/69/1105567569.db2.gz DSYGMUSIUGDNNV-AATRIKPKSA-N 0 3 349.412 2.901 10 5 EFBEHN Cc1occc1C(=O)N(C)CCCNCc1csc([N+](=O)[O-])c1 ZINC001670008506 1105567957 /nfs/dbraw/zinc/56/79/57/1105567957.db2.gz IMIIOFPIKJYNBB-UHFFFAOYSA-N 0 3 337.401 2.810 10 5 EFBEHN CCC1(C(=O)NCC2(NCc3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001673205930 1105985078 /nfs/dbraw/zinc/98/50/78/1105985078.db2.gz LDNWGJJTIARIPE-UHFFFAOYSA-N 0 3 331.416 2.914 10 5 EFBEHN Cc1ccccc1[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182176272 234484686 /nfs/dbraw/zinc/48/46/86/234484686.db2.gz PMPFANFFDVAMMF-GJZGRUSLSA-N 0 3 330.384 2.994 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000183309977 235001334 /nfs/dbraw/zinc/00/13/34/235001334.db2.gz SZDCTWADRCUXIT-OAHLLOKOSA-N 0 3 333.432 2.887 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000183393082 235047161 /nfs/dbraw/zinc/04/71/61/235047161.db2.gz CYVQAPWVOVJUOW-RDJZCZTQSA-N 0 3 344.415 2.582 10 5 EFBEHN CCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037620398 202023330 /nfs/dbraw/zinc/02/33/30/202023330.db2.gz KBZPZTZKNQSTAM-JTQLQIEISA-N 0 3 330.182 2.813 10 5 EFBEHN O=C(CN1C[C@H]2CCCC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177574018 239382354 /nfs/dbraw/zinc/38/23/54/239382354.db2.gz RJZMERXJQNDNDF-HUUCEWRRSA-N 0 3 329.400 2.606 10 5 EFBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102637827 204045095 /nfs/dbraw/zinc/04/50/95/204045095.db2.gz JPSLZLVVYKNWSN-GFCCVEGCSA-N 0 3 332.404 2.782 10 5 EFBEHN Cc1c(CN(C)[C@@H]2CCCN(c3cccnn3)C2)cccc1[N+](=O)[O-] ZINC000105803870 204159693 /nfs/dbraw/zinc/15/96/93/204159693.db2.gz PREOORXEMOEQLB-MRXNPFEDSA-N 0 3 341.415 2.794 10 5 EFBEHN Cc1ccc([C@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000107062683 204223593 /nfs/dbraw/zinc/22/35/93/204223593.db2.gz QTGDPSDIACEXHL-QZTJIDSGSA-N 0 3 344.415 2.606 10 5 EFBEHN CCN1CCCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110992737 204329927 /nfs/dbraw/zinc/32/99/27/204329927.db2.gz OWWKRGXWBLBNDO-CYBMUJFWSA-N 0 3 330.388 2.680 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000127807141 205119111 /nfs/dbraw/zinc/11/91/11/205119111.db2.gz OWTFCZKTQGKHTB-JQWIXIFHSA-N 0 3 325.796 2.803 10 5 EFBEHN O=[N+]([O-])c1ccccc1C=CCN1CCCC(Cn2cncn2)C1 ZINC000128468741 205148719 /nfs/dbraw/zinc/14/87/19/205148719.db2.gz HOKCJENTJKRIPC-SZTZYQKNSA-N 0 3 327.388 2.612 10 5 EFBEHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1CN(C)C ZINC000263914821 245850761 /nfs/dbraw/zinc/85/07/61/245850761.db2.gz LZPFSTMYZNPLGJ-JSGCOSHPSA-N 0 3 337.445 2.628 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000158423309 206190290 /nfs/dbraw/zinc/19/02/90/206190290.db2.gz CRFATLYMZVHSDA-ZYHUDNBSSA-N 0 3 325.796 2.803 10 5 EFBEHN COc1ccc(Cl)cc1C(C)(C)NCCn1ccc([N+](=O)[O-])n1 ZINC000425514429 247115003 /nfs/dbraw/zinc/11/50/03/247115003.db2.gz QLEKUSRCOHGWKD-UHFFFAOYSA-N 0 3 338.795 2.978 10 5 EFBEHN COc1ccc(NC(=O)CN[C@@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000433084062 248013743 /nfs/dbraw/zinc/01/37/43/248013743.db2.gz RPGJJFGPPPAPOY-KOHJWAIASA-N 0 3 333.388 2.710 10 5 EFBEHN COC[C@](C)(CCO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000175855401 207166628 /nfs/dbraw/zinc/16/66/28/207166628.db2.gz KTUKBUMPFXZPJM-KRWDZBQOSA-N 0 3 334.372 2.732 10 5 EFBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000267629991 251207401 /nfs/dbraw/zinc/20/74/01/251207401.db2.gz GKUVEFSAVSOEPJ-DLBZAZTESA-N 0 3 348.378 2.519 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000176244950 207206367 /nfs/dbraw/zinc/20/63/67/207206367.db2.gz GJJFHBLQEIKTKQ-CYBMUJFWSA-N 0 3 336.392 2.551 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000177026441 207286448 /nfs/dbraw/zinc/28/64/48/207286448.db2.gz MXZMOLXGHQMAPE-AWEZNQCLSA-N 0 3 337.445 2.630 10 5 EFBEHN CO[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000191717659 533109518 /nfs/dbraw/zinc/10/95/18/533109518.db2.gz PJIVFLOVHCGARQ-IVZWLZJFSA-N 0 3 329.784 2.588 10 5 EFBEHN O=[N+]([O-])c1cnn(CCN[C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000090539986 285190446 /nfs/dbraw/zinc/19/04/46/285190446.db2.gz HLBKCJNXGKRTSA-QGZVFWFLSA-N 0 3 342.399 2.784 10 5 EFBEHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000342778582 145190574 /nfs/dbraw/zinc/19/05/74/145190574.db2.gz JJJWHJXZBIYGLG-UHFFFAOYSA-N 0 3 334.420 2.636 10 5 EFBEHN CN(C[C@@H]1CC=CCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344033869 145350913 /nfs/dbraw/zinc/35/09/13/145350913.db2.gz FZGXFZZNIHYTAW-RHSMWYFYSA-N 0 3 329.400 2.988 10 5 EFBEHN CCOc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000347293089 145833285 /nfs/dbraw/zinc/83/32/85/145833285.db2.gz SMEHMILVDYTVJY-OAHLLOKOSA-N 0 3 347.415 2.740 10 5 EFBEHN CCNc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000356282258 147199443 /nfs/dbraw/zinc/19/94/43/147199443.db2.gz PPGODZIZBPHTOG-JSGCOSHPSA-N 0 3 334.420 2.581 10 5 EFBEHN CC[C@@H]1C[C@@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000357003003 147396209 /nfs/dbraw/zinc/39/62/09/147396209.db2.gz ZFWJILFUNJLWIH-MAUKXSAKSA-N 0 3 333.432 2.922 10 5 EFBEHN O=[N+]([O-])c1cc(CNC[C@@H](CO)Cc2ccc(F)c(F)c2)cs1 ZINC000359790725 148190158 /nfs/dbraw/zinc/19/01/58/148190158.db2.gz DCRIYYUZKRQUDM-NSHDSACASA-N 0 3 342.367 2.875 10 5 EFBEHN O=[N+]([O-])c1cccc(CNC[C@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000359795551 148191724 /nfs/dbraw/zinc/19/17/24/148191724.db2.gz IKYLKYRKSBMMJE-CQSZACIVSA-N 0 3 336.338 2.814 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000368481887 150129507 /nfs/dbraw/zinc/12/95/07/150129507.db2.gz KAIAXLTWXWTKDC-OAHLLOKOSA-N 0 3 334.416 2.921 10 5 EFBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000374633318 151385417 /nfs/dbraw/zinc/38/54/17/151385417.db2.gz VIUHONRATIRLKQ-DOMZBBRYSA-N 0 3 326.780 2.676 10 5 EFBEHN C[C@@H](NC[C@H](O)COCc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000271814782 266067954 /nfs/dbraw/zinc/06/79/54/266067954.db2.gz ZAOLQWUYEZDBDO-OLZOCXBDSA-N 0 3 336.413 2.885 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000272158161 266171369 /nfs/dbraw/zinc/17/13/69/266171369.db2.gz DQWIPVKBHMVYGZ-BXUZGUMPSA-N 0 3 341.358 2.628 10 5 EFBEHN CN(C)C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCO1 ZINC000272594919 266319258 /nfs/dbraw/zinc/31/92/58/266319258.db2.gz WZYUYEPHFIAJTE-SNVBAGLBSA-N 0 3 334.203 2.668 10 5 EFBEHN C[C@@H]1CN(CCCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000277356413 267162567 /nfs/dbraw/zinc/16/25/67/267162567.db2.gz ARIDUMMIOIBQMH-BETUJISGSA-N 0 3 347.419 2.772 10 5 EFBEHN O=C(NC[C@@H]1CCCCN1C1CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000277556837 267197260 /nfs/dbraw/zinc/19/72/60/267197260.db2.gz OWJVCGKKGQOBKK-AWEZNQCLSA-N 0 3 342.399 2.823 10 5 EFBEHN COc1cc(NCCCN2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000277745949 267251571 /nfs/dbraw/zinc/25/15/71/267251571.db2.gz UQJTYIIDMDDZRB-LBPRGKRZSA-N 0 3 341.383 2.655 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000277988744 267315347 /nfs/dbraw/zinc/31/53/47/267315347.db2.gz NARCOAAHMMKYMW-LBPRGKRZSA-N 0 3 339.823 2.970 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3nccs3)C2)c1 ZINC000137016082 273019256 /nfs/dbraw/zinc/01/92/56/273019256.db2.gz NWEOYSZXZJXPEG-DZGCQCFKSA-N 0 3 333.413 2.964 10 5 EFBEHN COc1cc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000269662342 273087542 /nfs/dbraw/zinc/08/75/42/273087542.db2.gz KGZLLXIPUPIIHE-GOSISDBHSA-N 0 3 346.383 2.777 10 5 EFBEHN O=C1C[C@]2(CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)CN1 ZINC000279467431 273218510 /nfs/dbraw/zinc/21/85/10/273218510.db2.gz RVFUWMXFNNISCY-GOSISDBHSA-N 0 3 341.367 2.567 10 5 EFBEHN CCO[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCC2 ZINC000282497364 273571380 /nfs/dbraw/zinc/57/13/80/273571380.db2.gz XXLWNNIJVXWYSP-CABCVRRESA-N 0 3 330.388 2.908 10 5 EFBEHN Cc1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1[N+](=O)[O-] ZINC000282604073 273587592 /nfs/dbraw/zinc/58/75/92/273587592.db2.gz DDLQIIXUWTYILI-RDJZCZTQSA-N 0 3 334.416 2.561 10 5 EFBEHN C[C@@H]1C[C@H](C)[C@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000355789560 274399386 /nfs/dbraw/zinc/39/93/86/274399386.db2.gz XIEGERBGVNEKTO-RDBSUJKOSA-N 0 3 331.416 2.850 10 5 EFBEHN O=C([C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000353564679 280130976 /nfs/dbraw/zinc/13/09/76/280130976.db2.gz DJUBUSYGYQFYKA-JZLODUJNSA-N 0 3 343.427 2.942 10 5 EFBEHN C[C@@H](NC1CCC(CS(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000294700827 295210854 /nfs/dbraw/zinc/21/08/54/295210854.db2.gz IZGVYVQQFSZAQW-IYXRBSQSSA-N 0 3 340.445 2.849 10 5 EFBEHN CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000294788411 295227739 /nfs/dbraw/zinc/22/77/39/295227739.db2.gz APJUNOPPOAYOKY-INIZCTEOSA-N 0 3 333.432 2.555 10 5 EFBEHN C[C@H](N[C@H]1CCOC1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000295207173 295282469 /nfs/dbraw/zinc/28/24/69/295282469.db2.gz LQVBGUKRQUEKIT-ZANVPECISA-N 0 3 341.795 2.732 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298754235 311020927 /nfs/dbraw/zinc/02/09/27/311020927.db2.gz PJNUVPRXQFRVPG-LBPRGKRZSA-N 0 3 331.372 2.945 10 5 EFBEHN CC[C@@H]1CCCCN1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301630850 311148669 /nfs/dbraw/zinc/14/86/69/311148669.db2.gz BKJWQXULLLFYJL-GFCCVEGCSA-N 0 3 348.403 2.602 10 5 EFBEHN CCN1CCCC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301703426 311153701 /nfs/dbraw/zinc/15/37/01/311153701.db2.gz UPNFTAIGQNVCBK-AWEZNQCLSA-N 0 3 335.404 2.976 10 5 EFBEHN O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000301756449 311156884 /nfs/dbraw/zinc/15/68/84/311156884.db2.gz YHVMXVVHTKIGDX-OAHLLOKOSA-N 0 3 337.395 2.815 10 5 EFBEHN O=[N+]([O-])c1c(F)cccc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000301829325 311161262 /nfs/dbraw/zinc/16/12/62/311161262.db2.gz QYOCWKCWHFHFIU-CQSZACIVSA-N 0 3 337.395 2.815 10 5 EFBEHN COCC[C@@H](COC)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353075371 311890285 /nfs/dbraw/zinc/89/02/85/311890285.db2.gz XABJUGIEXLZJEE-AWEZNQCLSA-N 0 3 334.372 2.996 10 5 EFBEHN CC(C)[C@](C)(CO)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000398569045 311964214 /nfs/dbraw/zinc/96/42/14/311964214.db2.gz KWKKKOWRMMSLJP-ZDUSSCGKSA-N 0 3 331.210 2.854 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCC[C@@H](CO)C2)c1 ZINC000414586843 312051445 /nfs/dbraw/zinc/05/14/45/312051445.db2.gz UYFFJWJUFSUXBK-PWSUYJOCSA-N 0 3 330.331 2.837 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CNCCC2(F)F)o1 ZINC000415003894 312075838 /nfs/dbraw/zinc/07/58/38/312075838.db2.gz PNDVTLJYCBAVEE-OAHLLOKOSA-N 0 3 337.326 2.942 10 5 EFBEHN C[C@@H]1OCC[C@]1(O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000433008847 312590723 /nfs/dbraw/zinc/59/07/23/312590723.db2.gz FEHJIYKAJAEREA-KYNGSXCRSA-N 0 3 342.395 2.814 10 5 EFBEHN C[C@@H]1OCC[C@@]1(O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000433008840 312591028 /nfs/dbraw/zinc/59/10/28/312591028.db2.gz FEHJIYKAJAEREA-GDIGMMSISA-N 0 3 342.395 2.814 10 5 EFBEHN CC[C@@H](N[C@@H](CC)CSc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000453389001 312896744 /nfs/dbraw/zinc/89/67/44/312896744.db2.gz CIURQYCHNAXGDB-NWDGAFQWSA-N 0 3 325.434 2.580 10 5 EFBEHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000492937263 314184544 /nfs/dbraw/zinc/18/45/44/314184544.db2.gz QPUOJZWIKHVJNF-GUYCJALGSA-N 0 3 336.388 2.815 10 5 EFBEHN Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000493253043 314292800 /nfs/dbraw/zinc/29/28/00/314292800.db2.gz JGDWRGKDYAHDEK-CZUORRHYSA-N 0 3 346.431 2.842 10 5 EFBEHN Cc1ccc(OC[C@@H](O)CN(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000554849369 318337985 /nfs/dbraw/zinc/33/79/85/318337985.db2.gz YIYPGMSSHRDWNL-SFHVURJKSA-N 0 3 344.411 2.817 10 5 EFBEHN COc1cncc(/C=C\CCN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000567780517 319210704 /nfs/dbraw/zinc/21/07/04/319210704.db2.gz VRPQFZRACAXQAL-RQOWECAXSA-N 0 3 340.383 2.855 10 5 EFBEHN COc1cncc(/C=C/CCN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000567780516 319210979 /nfs/dbraw/zinc/21/09/79/319210979.db2.gz VRPQFZRACAXQAL-DUXPYHPUSA-N 0 3 340.383 2.855 10 5 EFBEHN O=C(NCCN1CCC2(CCCCC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000577693790 320133802 /nfs/dbraw/zinc/13/38/02/320133802.db2.gz RSMHAEDXTCHNRF-UHFFFAOYSA-N 0 3 346.431 2.766 10 5 EFBEHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1C ZINC000181352654 323233100 /nfs/dbraw/zinc/23/31/00/323233100.db2.gz ZWRBTZKXKYPBSP-ZDUSSCGKSA-N 0 3 337.445 2.919 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)N2CCCC2)CC1 ZINC000183245827 323323868 /nfs/dbraw/zinc/32/38/68/323323868.db2.gz IYTFXWDDGWCMLO-UHFFFAOYSA-N 0 3 331.416 2.738 10 5 EFBEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185013523 323379896 /nfs/dbraw/zinc/37/98/96/323379896.db2.gz BJWMLCLTFDAHFR-CHWSQXEVSA-N 0 3 339.411 2.930 10 5 EFBEHN CCCN(CCN1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000580178045 324113265 /nfs/dbraw/zinc/11/32/65/324113265.db2.gz FHBMOYWDBYPCJV-UHFFFAOYSA-N 0 3 334.420 2.718 10 5 EFBEHN COc1ccc(CN(C)[C@@H]2Cc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000095987341 473244916 /nfs/dbraw/zinc/24/49/16/473244916.db2.gz TVOMOHXIRDWKOQ-AEFFLSMTSA-N 0 3 328.368 2.694 10 5 EFBEHN CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000124481744 473251021 /nfs/dbraw/zinc/25/10/21/473251021.db2.gz JAQVMDFJLWNPFI-TZMCWYRMSA-N 0 3 335.404 2.548 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190447979 473278293 /nfs/dbraw/zinc/27/82/93/473278293.db2.gz DTBUAHGYXQZCFE-INIZCTEOSA-N 0 3 341.415 2.652 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124799208 473305493 /nfs/dbraw/zinc/30/54/93/473305493.db2.gz WEGMLUOAXJLKSF-OCCSQVGLSA-N 0 3 337.445 2.628 10 5 EFBEHN Cc1c([C@@H](C)NCCNC(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000162530297 473352574 /nfs/dbraw/zinc/35/25/74/473352574.db2.gz NIQMWXNSTNUOGM-CQSZACIVSA-N 0 3 327.384 2.984 10 5 EFBEHN C[C@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595479646 478811107 /nfs/dbraw/zinc/81/11/07/478811107.db2.gz GGQZZLHYCJVADB-WFASDCNBSA-N 0 3 334.420 2.828 10 5 EFBEHN CN1CC[C@@]2(CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C2)C1 ZINC000601594495 478896724 /nfs/dbraw/zinc/89/67/24/478896724.db2.gz DILSVGZEJGFDLW-GOSISDBHSA-N 0 3 343.427 2.571 10 5 EFBEHN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000054132085 472061560 /nfs/dbraw/zinc/06/15/60/472061560.db2.gz VJYVVDNORWZVSR-MRXNPFEDSA-N 0 3 331.347 2.767 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000068223219 472152141 /nfs/dbraw/zinc/15/21/41/472152141.db2.gz FKKDOOKOXFXCMH-NSHDSACASA-N 0 3 327.812 2.954 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(C)o1 ZINC000068366465 472176860 /nfs/dbraw/zinc/17/68/60/472176860.db2.gz JGICZRMWBLNYNY-UHFFFAOYSA-N 0 3 347.371 2.965 10 5 EFBEHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1CN1CCOCC1 ZINC000075969160 472229913 /nfs/dbraw/zinc/22/99/13/472229913.db2.gz VZICVVGFBCYHTH-JKSUJKDBSA-N 0 3 333.432 2.843 10 5 EFBEHN COc1cc(CN[C@H](CO)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000613389449 479984197 /nfs/dbraw/zinc/98/41/97/479984197.db2.gz MSQXJWRIUYVIGU-CZUORRHYSA-N 0 3 330.384 2.858 10 5 EFBEHN COc1cc(CN[C@@H](CO)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000613389448 479984631 /nfs/dbraw/zinc/98/46/31/479984631.db2.gz MSQXJWRIUYVIGU-CJNGLKHVSA-N 0 3 330.384 2.858 10 5 EFBEHN C[C@@H]1CCCCN1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000076776164 472401677 /nfs/dbraw/zinc/40/16/77/472401677.db2.gz KTRKNRARXRBVKC-CYBMUJFWSA-N 0 3 346.431 2.773 10 5 EFBEHN Cc1cc(N2CCC(c3nc[nH]n3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083921 472437622 /nfs/dbraw/zinc/43/76/22/472437622.db2.gz JXKLUZIHRZKDRW-UHFFFAOYSA-N 0 3 338.371 2.954 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H](N3CC=CC3)C2)c1 ZINC000101913511 472557584 /nfs/dbraw/zinc/55/75/84/472557584.db2.gz SAIRGCGEPQAIMR-CQSZACIVSA-N 0 3 339.342 2.642 10 5 EFBEHN CC(C)N1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155686647 472595341 /nfs/dbraw/zinc/59/53/41/472595341.db2.gz LKKAYALMRMXFHP-GWCFXTLKSA-N 0 3 325.796 2.707 10 5 EFBEHN CCOc1ccc([C@H](C)NCC[C@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000090515135 472629385 /nfs/dbraw/zinc/62/93/85/472629385.db2.gz KRPANKZKRCBSOB-YEZLUTFDSA-N 0 3 328.434 2.801 10 5 EFBEHN Cc1cc2c(cc1C)[C@@H](NCCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090538461 472631837 /nfs/dbraw/zinc/63/18/37/472631837.db2.gz GNUMOLFTTRWEJJ-INIZCTEOSA-N 0 3 330.388 2.912 10 5 EFBEHN CC[C@H](NC(=O)NCCN(CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090554400 472635606 /nfs/dbraw/zinc/63/56/06/472635606.db2.gz RPFFXUAPYDSVPC-INIZCTEOSA-N 0 3 334.420 2.829 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000131741338 472689971 /nfs/dbraw/zinc/68/99/71/472689971.db2.gz AURXGXGXFOWKAE-GOSISDBHSA-N 0 3 343.383 2.912 10 5 EFBEHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccncc1[N+](=O)[O-] ZINC000078674928 472752250 /nfs/dbraw/zinc/75/22/50/472752250.db2.gz FXMVBHJEQJHWQJ-MRXNPFEDSA-N 0 3 326.400 2.948 10 5 EFBEHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccncc1[N+](=O)[O-] ZINC000078674926 472752691 /nfs/dbraw/zinc/75/26/91/472752691.db2.gz FXMVBHJEQJHWQJ-INIZCTEOSA-N 0 3 326.400 2.948 10 5 EFBEHN CC[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000120920710 472768428 /nfs/dbraw/zinc/76/84/28/472768428.db2.gz XAUFESRYYZCGFX-JKNJVXJCSA-N 0 3 333.432 2.651 10 5 EFBEHN C[C@@H]1CN(CCC2CCN(c3ccncc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000079021920 472807814 /nfs/dbraw/zinc/80/78/14/472807814.db2.gz SCGMNKQRTCNGCP-HUUCEWRRSA-N 0 3 348.447 2.706 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000121375929 472842713 /nfs/dbraw/zinc/84/27/13/472842713.db2.gz HOMVDDVLHBAXHQ-QGZVFWFLSA-N 0 3 327.384 2.936 10 5 EFBEHN C[C@H]1CN(C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000092078974 472855703 /nfs/dbraw/zinc/85/57/03/472855703.db2.gz GUTNIONJUNPJKG-NBUZRDOWSA-N 0 3 345.443 2.793 10 5 EFBEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080012935 472961591 /nfs/dbraw/zinc/96/15/91/472961591.db2.gz BITFXYOAUFUVQO-UKRRQHHQSA-N 0 3 336.436 2.931 10 5 EFBEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000159588709 473041673 /nfs/dbraw/zinc/04/16/73/473041673.db2.gz SZUMGPORBXPOFH-QWHCGFSZSA-N 0 3 343.383 2.941 10 5 EFBEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000159613568 473043751 /nfs/dbraw/zinc/04/37/51/473043751.db2.gz LLAXYIBNIBJQEV-JSGCOSHPSA-N 0 3 343.383 2.941 10 5 EFBEHN O=C(NCc1ccccc1CN1CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052528049 473118959 /nfs/dbraw/zinc/11/89/59/473118959.db2.gz HYMPMVSDWNINHA-UHFFFAOYSA-N 0 3 342.399 2.839 10 5 EFBEHN Cc1c(C(=O)N[C@@H](CN(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000052554885 473124356 /nfs/dbraw/zinc/12/43/56/473124356.db2.gz HRHUZCQBJLTAPM-INIZCTEOSA-N 0 3 327.384 2.936 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1C ZINC000123464750 473143248 /nfs/dbraw/zinc/14/32/48/473143248.db2.gz APKLWHRINAJVCI-GWCFXTLKSA-N 0 3 325.796 2.803 10 5 EFBEHN CCc1ccc(NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000095418296 473200856 /nfs/dbraw/zinc/20/08/56/473200856.db2.gz IONWCFWAQFLRBK-WFASDCNBSA-N 0 3 334.420 2.961 10 5 EFBEHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](CNc2ccccn2)C1 ZINC000171640920 473428521 /nfs/dbraw/zinc/42/85/21/473428521.db2.gz GWASYGKSKQPWID-HNNXBMFYSA-N 0 3 342.399 2.803 10 5 EFBEHN CCO[C@H]1C[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000185651514 473478907 /nfs/dbraw/zinc/47/89/07/473478907.db2.gz MDEPUHHPIJYDLT-IRXDYDNUSA-N 0 3 334.416 2.967 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1Cn1ccnc1C ZINC000178319904 473490218 /nfs/dbraw/zinc/49/02/18/473490218.db2.gz CEFRNVSSAJAIHU-MRXNPFEDSA-N 0 3 330.388 2.773 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166553716 473528566 /nfs/dbraw/zinc/52/85/66/473528566.db2.gz DOJCYUXPIRNTAH-LSDHHAIUSA-N 0 3 343.431 2.956 10 5 EFBEHN COc1ccc(OC)c([C@@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000178565430 473532696 /nfs/dbraw/zinc/53/26/96/473532696.db2.gz LHCGMWZHAKWILW-PXAZEXFGSA-N 0 3 346.383 2.996 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152239306 473539722 /nfs/dbraw/zinc/53/97/22/473539722.db2.gz VESIURFVZCCBOB-GOSISDBHSA-N 0 3 343.383 2.912 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000127602658 473630540 /nfs/dbraw/zinc/63/05/40/473630540.db2.gz QZJWRLYIOSVLNR-YOEHRIQHSA-N 0 3 348.447 2.728 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000127602426 473630696 /nfs/dbraw/zinc/63/06/96/473630696.db2.gz QZJWRLYIOSVLNR-PBHICJAKSA-N 0 3 348.447 2.728 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000170931532 473649218 /nfs/dbraw/zinc/64/92/18/473649218.db2.gz HBXWLLSXNZCSBH-CQSZACIVSA-N 0 3 348.403 2.696 10 5 EFBEHN CSc1ccc(C(=O)NCCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000192471634 473683686 /nfs/dbraw/zinc/68/36/86/473683686.db2.gz PCHBQALYBJZECB-GFCCVEGCSA-N 0 3 337.445 2.921 10 5 EFBEHN O=C(NCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192765599 473721643 /nfs/dbraw/zinc/72/16/43/473721643.db2.gz HYHXLCDQHFYYFT-SFHVURJKSA-N 0 3 339.395 2.992 10 5 EFBEHN CN1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000180109811 473801391 /nfs/dbraw/zinc/80/13/91/473801391.db2.gz HSOQJKBVQAUOHL-HKUYNNGSSA-N 0 3 339.395 2.699 10 5 EFBEHN CCO[C@@H]1C[C@@H](N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000246297495 473820220 /nfs/dbraw/zinc/82/02/20/473820220.db2.gz PMLNESPOTYQMPL-BRWVUGGUSA-N 0 3 334.416 2.908 10 5 EFBEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194042789 473832637 /nfs/dbraw/zinc/83/26/37/473832637.db2.gz UGQZNWORCGBVFI-HNNXBMFYSA-N 0 3 345.359 2.673 10 5 EFBEHN NC(=O)c1coc(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000187723432 473909468 /nfs/dbraw/zinc/90/94/68/473909468.db2.gz GDWCPMVZTMWSEL-BLLLJJGKSA-N 0 3 343.383 2.788 10 5 EFBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000246844023 473980343 /nfs/dbraw/zinc/98/03/43/473980343.db2.gz FDHLZTJTCKRDQY-SWLSCSKDSA-N 0 3 337.445 2.532 10 5 EFBEHN C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000174105543 473987611 /nfs/dbraw/zinc/98/76/11/473987611.db2.gz WZTMMTSTDOLNEV-KCQAQPDRSA-N 0 3 334.420 2.780 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000174122760 473989999 /nfs/dbraw/zinc/98/99/99/473989999.db2.gz UVYSJHDEOMVZKN-RYUDHWBXSA-N 0 3 336.392 2.550 10 5 EFBEHN CCO[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCC2 ZINC000282497385 474087696 /nfs/dbraw/zinc/08/76/96/474087696.db2.gz XXLWNNIJVXWYSP-LSDHHAIUSA-N 0 3 330.388 2.908 10 5 EFBEHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000288964497 474105821 /nfs/dbraw/zinc/10/58/21/474105821.db2.gz UBCXBHTWYIUNNW-HUUCEWRRSA-N 0 3 329.404 2.977 10 5 EFBEHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000288964515 474105913 /nfs/dbraw/zinc/10/59/13/474105913.db2.gz UBCXBHTWYIUNNW-LSDHHAIUSA-N 0 3 329.404 2.977 10 5 EFBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000175048944 474137276 /nfs/dbraw/zinc/13/72/76/474137276.db2.gz HVQLIONIBKLLMG-DGCLKSJQSA-N 0 3 337.807 2.947 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000247467239 474152849 /nfs/dbraw/zinc/15/28/49/474152849.db2.gz RIYRGDKRQRKRFH-RYUDHWBXSA-N 0 3 335.429 2.625 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175543900 474246596 /nfs/dbraw/zinc/24/65/96/474246596.db2.gz BJYAVGBABLALSB-NSHDSACASA-N 0 3 325.796 2.805 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN(c2cccnn2)CC1 ZINC000182748920 474247559 /nfs/dbraw/zinc/24/75/59/474247559.db2.gz KFWRKHBSKSLSJK-HNNXBMFYSA-N 0 3 341.415 2.967 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265739057 474316395 /nfs/dbraw/zinc/31/63/95/474316395.db2.gz BNDIDJCPTMYDRF-AWEZNQCLSA-N 0 3 333.432 2.863 10 5 EFBEHN CO[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1C ZINC000189276803 474344263 /nfs/dbraw/zinc/34/42/63/474344263.db2.gz LMVOSVWAAZUQKY-XJKSGUPXSA-N 0 3 335.404 2.589 10 5 EFBEHN CC[C@H](NC(=O)N[C@H]1CCCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000175953904 474347590 /nfs/dbraw/zinc/34/75/90/474347590.db2.gz YNPYAAKUFJMRNH-HOCLYGCPSA-N 0 3 334.420 2.829 10 5 EFBEHN COc1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc([N+](=O)[O-])c1C ZINC000190135515 474552942 /nfs/dbraw/zinc/55/29/42/474552942.db2.gz FGKCDPYBKFWFTK-AWEZNQCLSA-N 0 3 337.420 2.618 10 5 EFBEHN COc1cc(C(=O)N[C@H](CC(C)C)CN(C)C)cc([N+](=O)[O-])c1C ZINC000190135533 474553125 /nfs/dbraw/zinc/55/31/25/474553125.db2.gz FGKCDPYBKFWFTK-CQSZACIVSA-N 0 3 337.420 2.618 10 5 EFBEHN COc1ccccc1[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272914862 474640197 /nfs/dbraw/zinc/64/01/97/474640197.db2.gz HIALLCURJAZCGY-ZIAGYGMSSA-N 0 3 346.383 2.694 10 5 EFBEHN CO[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1C ZINC000251783696 474646135 /nfs/dbraw/zinc/64/61/35/474646135.db2.gz LMVOSVWAAZUQKY-BBRMVZONSA-N 0 3 335.404 2.589 10 5 EFBEHN CC(C)Oc1ccc([C@H](CNc2ccncc2[N+](=O)[O-])N(C)C)cc1 ZINC000340843203 474710412 /nfs/dbraw/zinc/71/04/12/474710412.db2.gz BDBFWLNLUQAGLI-KRWDZBQOSA-N 0 3 344.415 2.914 10 5 EFBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](CC(F)(F)F)C1 ZINC000278732942 474802172 /nfs/dbraw/zinc/80/21/72/474802172.db2.gz LDWCRXYYWJRJOY-VXGBXAGGSA-N 0 3 348.321 2.609 10 5 EFBEHN O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000344951999 474817823 /nfs/dbraw/zinc/81/78/23/474817823.db2.gz LDMSXFDNGABSFS-UHFFFAOYSA-N 0 3 342.355 2.544 10 5 EFBEHN CC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000255234073 474824544 /nfs/dbraw/zinc/82/45/44/474824544.db2.gz XAUFESRYYZCGFX-BQLWYNFJSA-N 0 3 333.432 2.651 10 5 EFBEHN CCOCCN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000255390200 474849804 /nfs/dbraw/zinc/84/98/04/474849804.db2.gz FDHYIFWPXKNHOX-QKIRZYONSA-N 0 3 333.432 2.651 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000609257831 480131959 /nfs/dbraw/zinc/13/19/59/480131959.db2.gz GURNBSWIJKARLX-MRXNPFEDSA-N 0 3 330.388 2.897 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000292255288 474925228 /nfs/dbraw/zinc/92/52/28/474925228.db2.gz FANVLLZBKGPTQB-CYBMUJFWSA-N 0 3 331.416 2.850 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000341069234 474938770 /nfs/dbraw/zinc/93/87/70/474938770.db2.gz OKAVDUXSGSPUAS-CHWSQXEVSA-N 0 3 335.404 2.596 10 5 EFBEHN CNC(=O)c1ccc(NCCN2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000341126224 475003139 /nfs/dbraw/zinc/00/31/39/475003139.db2.gz NNKSBCGJYMOQMU-BETUJISGSA-N 0 3 334.420 2.629 10 5 EFBEHN COC(=O)c1cc(N2CC[C@@H](N3CCCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000268478157 475004667 /nfs/dbraw/zinc/00/46/67/475004667.db2.gz KCXJAEZHOLVXMH-CQSZACIVSA-N 0 3 347.415 2.754 10 5 EFBEHN C[C@]12C[C@H]1CCC[C@H]2NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000337486253 475061291 /nfs/dbraw/zinc/06/12/91/475061291.db2.gz SPTAJIQXICDNPW-WQVCFCJDSA-N 0 3 338.429 2.537 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1cnc(C2CC2)nc1 ZINC000339497556 475255610 /nfs/dbraw/zinc/25/56/10/475255610.db2.gz GQCKMRMAIMMOTG-UHFFFAOYSA-N 0 3 342.399 2.993 10 5 EFBEHN CCO[C@@H]1C[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000339596444 475330806 /nfs/dbraw/zinc/33/08/06/475330806.db2.gz UEGWQNYQIJFWNQ-USXIJHARSA-N 0 3 330.388 2.608 10 5 EFBEHN Cc1cnn(CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000341891372 475388154 /nfs/dbraw/zinc/38/81/54/475388154.db2.gz CZEVURYQSIQCFM-UHFFFAOYSA-N 0 3 330.388 2.643 10 5 EFBEHN CNC(=O)CCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352556204 475410580 /nfs/dbraw/zinc/41/05/80/475410580.db2.gz WQBXBNICVBIKLQ-SFHVURJKSA-N 0 3 327.384 2.800 10 5 EFBEHN COc1ccc(OCCN2CCCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000342014370 475504177 /nfs/dbraw/zinc/50/41/77/475504177.db2.gz HEWGPIPZJCUXDD-CQSZACIVSA-N 0 3 338.404 2.609 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000338018801 475510508 /nfs/dbraw/zinc/51/05/08/475510508.db2.gz YYUXVBCULJIGBF-JKSUJKDBSA-N 0 3 338.429 2.537 10 5 EFBEHN O=C(NC1CCN(C2CCC2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000296885144 475520919 /nfs/dbraw/zinc/52/09/19/475520919.db2.gz HZCDGWFXVCKBCN-UHFFFAOYSA-N 0 3 337.807 2.995 10 5 EFBEHN C[C@@H]1[C@H](C(F)(F)F)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000348247508 475522037 /nfs/dbraw/zinc/52/20/37/475522037.db2.gz SSAAYWSYBCUTBW-IJLUTSLNSA-N 0 3 348.321 2.607 10 5 EFBEHN COc1cnccc1N1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000361529052 475523182 /nfs/dbraw/zinc/52/31/82/475523182.db2.gz BYTPULHRQZHTBH-CQSZACIVSA-N 0 3 342.399 2.882 10 5 EFBEHN COC(=O)COc1ccc(CN2CCCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000354923742 475524831 /nfs/dbraw/zinc/52/48/31/475524831.db2.gz NOBIXDGSSPPSFO-CYBMUJFWSA-N 0 3 336.388 2.911 10 5 EFBEHN COC(=O)COc1ccc(CN(C)C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000355042635 475621169 /nfs/dbraw/zinc/62/11/69/475621169.db2.gz SZNHUEBTZAZNLE-AWEZNQCLSA-N 0 3 348.399 2.935 10 5 EFBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340087686 475748457 /nfs/dbraw/zinc/74/84/57/475748457.db2.gz BRLCGZNTXRPMFT-GJZGRUSLSA-N 0 3 348.447 2.699 10 5 EFBEHN Cc1cc(CN(C)C)cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000340333044 475954285 /nfs/dbraw/zinc/95/42/85/475954285.db2.gz MOEPROBXJGRWDQ-UHFFFAOYSA-N 0 3 328.372 2.921 10 5 EFBEHN NC(=O)CC1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000353432020 475961142 /nfs/dbraw/zinc/96/11/42/475961142.db2.gz YNUYFCTXKFUWFA-UHFFFAOYSA-N 0 3 329.356 2.743 10 5 EFBEHN CCN1CCC(Nc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000298186049 476011157 /nfs/dbraw/zinc/01/11/57/476011157.db2.gz IAXGCOKNWVWTAG-ALCCZGGFSA-N 0 3 333.388 2.677 10 5 EFBEHN CSc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000347017570 476037292 /nfs/dbraw/zinc/03/72/92/476037292.db2.gz POMPVULPZIPSQV-CYBMUJFWSA-N 0 3 335.429 2.625 10 5 EFBEHN CN(C[C@H]1CC=CCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344033870 476148597 /nfs/dbraw/zinc/14/85/97/476148597.db2.gz FZGXFZZNIHYTAW-WMLDXEAASA-N 0 3 329.400 2.988 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(NCCCCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000359099891 476187889 /nfs/dbraw/zinc/18/78/89/476187889.db2.gz OXXUMOYAQMEJID-GASCZTMLSA-N 0 3 336.436 2.908 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]2COCC[C@H]21 ZINC000362454429 476263257 /nfs/dbraw/zinc/26/32/57/476263257.db2.gz QIGNRNFCYLTCTG-RHSMWYFYSA-N 0 3 347.415 2.733 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]2COCC[C@H]21 ZINC000362455716 476264582 /nfs/dbraw/zinc/26/45/82/476264582.db2.gz SWRFIHNZZOXZSK-RHSMWYFYSA-N 0 3 347.415 2.733 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCN(C)[C@@H](C)C3)n2)c1 ZINC000351224991 476370249 /nfs/dbraw/zinc/37/02/49/476370249.db2.gz NXTZJVAHXSMQFA-RYUDHWBXSA-N 0 3 346.387 2.775 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)c(CNCC2(O)Cc3ccccc3C2)c1 ZINC000377781051 476577680 /nfs/dbraw/zinc/57/76/80/476577680.db2.gz ZVIDFTXQLKOYKE-UHFFFAOYSA-N 0 3 332.787 2.868 10 5 EFBEHN O=[N+]([O-])c1cnc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)nc1 ZINC000366503135 477043984 /nfs/dbraw/zinc/04/39/84/477043984.db2.gz CPBYNEKDUUHBAT-UHFFFAOYSA-N 0 3 345.325 2.602 10 5 EFBEHN CCOc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000375900183 477072015 /nfs/dbraw/zinc/07/20/15/477072015.db2.gz GNOWFGATXHFLRI-HIFRSBDPSA-N 0 3 347.415 2.692 10 5 EFBEHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CC)C(=O)NC ZINC000453389006 477219063 /nfs/dbraw/zinc/21/90/63/477219063.db2.gz CIURQYCHNAXGDB-VXGBXAGGSA-N 0 3 325.434 2.580 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC3CCC2CC3)cc1 ZINC000433058324 477304598 /nfs/dbraw/zinc/30/45/98/477304598.db2.gz ALGVQTUGQQPUCM-SEEARECTSA-N 0 3 338.429 2.537 10 5 EFBEHN O=C(CCN1CCOCC12CCCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411790918 477369054 /nfs/dbraw/zinc/36/90/54/477369054.db2.gz KKYQKJITSMOFID-UHFFFAOYSA-N 0 3 347.415 2.959 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411966981 477400490 /nfs/dbraw/zinc/40/04/90/477400490.db2.gz CMTYDXSXVSHTCE-XWIAVFTESA-N 0 3 339.395 2.857 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000371865052 477533256 /nfs/dbraw/zinc/53/32/56/477533256.db2.gz RCMJFUBTHGAKTL-WMZOPIPTSA-N 0 3 344.415 2.725 10 5 EFBEHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCCN2CCO)cc1C(F)(F)F ZINC000450617503 477656892 /nfs/dbraw/zinc/65/68/92/477656892.db2.gz RDAXMOPTWRNHMY-LBPRGKRZSA-N 0 3 347.337 2.872 10 5 EFBEHN O=[N+]([O-])c1ccc(NC[C@H]2CCCCN2CCO)cc1C(F)(F)F ZINC000450617502 477656960 /nfs/dbraw/zinc/65/69/60/477656960.db2.gz RDAXMOPTWRNHMY-GFCCVEGCSA-N 0 3 347.337 2.872 10 5 EFBEHN COc1cc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1[O-] ZINC000438334096 477826760 /nfs/dbraw/zinc/82/67/60/477826760.db2.gz JXKCKUSBQLVGAM-QGZVFWFLSA-N 0 3 338.404 2.730 10 5 EFBEHN CC[C@H]1[C@@H](CO)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451249815 477902631 /nfs/dbraw/zinc/90/26/31/477902631.db2.gz CJAJSBIUEJVBOM-CJNGLKHVSA-N 0 3 331.372 2.843 10 5 EFBEHN CC[C@@H]1[C@H](CO)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451249817 477904570 /nfs/dbraw/zinc/90/45/70/477904570.db2.gz CJAJSBIUEJVBOM-XJKSGUPXSA-N 0 3 331.372 2.843 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000439093741 477927708 /nfs/dbraw/zinc/92/77/08/477927708.db2.gz AISRYXDEYQGUOI-CYBMUJFWSA-N 0 3 337.807 2.865 10 5 EFBEHN Cn1cnc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000459671240 478033890 /nfs/dbraw/zinc/03/38/90/478033890.db2.gz WDZOQXWVQCVXGY-UHFFFAOYSA-N 0 3 343.412 2.784 10 5 EFBEHN Cc1ccsc1[C@@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494684120 478043756 /nfs/dbraw/zinc/04/37/56/478043756.db2.gz HWQUCABIDURNII-CYBMUJFWSA-N 0 3 349.412 2.617 10 5 EFBEHN COc1ccc([C@@H](CO)CNCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000459722947 478060190 /nfs/dbraw/zinc/06/01/90/478060190.db2.gz AGRHFEFAAPPTJB-MRXNPFEDSA-N 0 3 330.384 2.778 10 5 EFBEHN CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000570097798 478282005 /nfs/dbraw/zinc/28/20/05/478282005.db2.gz LETYMMJAJRFCBN-MFKMUULPSA-N 0 3 343.811 2.573 10 5 EFBEHN O=C(NC[C@H]1CCN1C1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600227361 478297412 /nfs/dbraw/zinc/29/74/12/478297412.db2.gz AUOADJMWVZUFAP-OAHLLOKOSA-N 0 3 335.379 2.871 10 5 EFBEHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCCC1 ZINC000600229356 478298637 /nfs/dbraw/zinc/29/86/37/478298637.db2.gz JSWAGCDJCONFRI-MRXNPFEDSA-N 0 3 349.406 2.800 10 5 EFBEHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cc4n(n3)CCCC4)c2c1 ZINC000594522175 478425016 /nfs/dbraw/zinc/42/50/16/478425016.db2.gz YQJWYPXBRBRYEH-UHFFFAOYSA-N 0 3 339.399 2.941 10 5 EFBEHN O=c1[nH]c(N[C@H]2CCCN3CCCC[C@H]23)nc2ccc([N+](=O)[O-])cc21 ZINC000594597587 478457737 /nfs/dbraw/zinc/45/77/37/478457737.db2.gz DATVULJVPDKVSQ-LSDHHAIUSA-N 0 3 343.387 2.672 10 5 EFBEHN CN(CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000540926333 478512745 /nfs/dbraw/zinc/51/27/45/478512745.db2.gz KWKWBPFLAFVRPJ-UHFFFAOYSA-N 0 3 342.399 2.868 10 5 EFBEHN COc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000594739413 478523839 /nfs/dbraw/zinc/52/38/39/478523839.db2.gz QFTMUYSHACSHHU-GOSISDBHSA-N 0 3 343.383 2.876 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597859265 478544343 /nfs/dbraw/zinc/54/43/43/478544343.db2.gz SMOKNSXWOZYCHV-LLVKDONJSA-N 0 3 325.796 2.851 10 5 EFBEHN CCOc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859280 478545213 /nfs/dbraw/zinc/54/52/13/478545213.db2.gz SQCOPBXOKBPGNW-CYBMUJFWSA-N 0 3 335.404 2.596 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000597859594 478546240 /nfs/dbraw/zinc/54/62/40/478546240.db2.gz VTCPARYRHOHNGZ-LBPRGKRZSA-N 0 3 325.796 2.851 10 5 EFBEHN CO[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC000594952713 478602906 /nfs/dbraw/zinc/60/29/06/478602906.db2.gz REIUBEHMNJRHMG-SCLBCKFNSA-N 0 3 346.383 2.996 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594974476 478613765 /nfs/dbraw/zinc/61/37/65/478613765.db2.gz MEFIPASHMTTZAY-OSEPDQNXSA-N 0 3 338.429 2.553 10 5 EFBEHN O=[N+]([O-])c1cc(CNCc2ccc(CN3CC[C@@H](O)C3)cc2)cs1 ZINC000594973587 478613996 /nfs/dbraw/zinc/61/39/96/478613996.db2.gz GOTZGLMQPCLHHQ-MRXNPFEDSA-N 0 3 347.440 2.513 10 5 EFBEHN CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCN(CC)C1 ZINC000598039843 478626771 /nfs/dbraw/zinc/62/67/71/478626771.db2.gz APWJSHRHIYJSAM-AWEZNQCLSA-N 0 3 331.372 2.897 10 5 EFBEHN CCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598042592 478628422 /nfs/dbraw/zinc/62/84/22/478628422.db2.gz QFESTLYMMJUPTP-ZDUSSCGKSA-N 0 3 337.445 2.873 10 5 EFBEHN CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC)C1 ZINC000598041448 478628737 /nfs/dbraw/zinc/62/87/37/478628737.db2.gz MAOJMVCCXOYGLY-QGZVFWFLSA-N 0 3 348.447 2.730 10 5 EFBEHN C[C@@H]1CCN(CC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000582556048 478629245 /nfs/dbraw/zinc/62/92/45/478629245.db2.gz KJADJFQHBJTWQY-ZBFHGGJFSA-N 0 3 331.416 2.643 10 5 EFBEHN CCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCN(CC)C1 ZINC000598044168 478630068 /nfs/dbraw/zinc/63/00/68/478630068.db2.gz ZALUSNYHJGCWOT-CYBMUJFWSA-N 0 3 330.388 2.632 10 5 EFBEHN COc1ccc(CN[C@@](C)(CO)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000601154021 478692754 /nfs/dbraw/zinc/69/27/54/478692754.db2.gz WRTKWDHBQBUGIO-GOSISDBHSA-N 0 3 348.374 2.826 10 5 EFBEHN N[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1c1cccc(F)c1 ZINC000595226653 478694916 /nfs/dbraw/zinc/69/49/16/478694916.db2.gz XQJXIARDBFVNLE-IAGOWNOFSA-N 0 3 343.358 2.691 10 5 EFBEHN CN(C)CCN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1CCCC1 ZINC000601160180 478697681 /nfs/dbraw/zinc/69/76/81/478697681.db2.gz RSCSVJGCRVCASB-UHFFFAOYSA-N 0 3 349.357 2.658 10 5 EFBEHN O=[N+]([O-])c1cc(F)cnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000601179487 478708296 /nfs/dbraw/zinc/70/82/96/478708296.db2.gz WLFPZEPVKUJSKY-WMLDXEAASA-N 0 3 342.374 2.840 10 5 EFBEHN CO[C@@H](CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCCC1 ZINC000595285928 478714102 /nfs/dbraw/zinc/71/41/02/478714102.db2.gz BYHYBPUHWCCQPY-KRWDZBQOSA-N 0 3 348.447 2.707 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000601190463 478714065 /nfs/dbraw/zinc/71/40/65/478714065.db2.gz ZGLSPESHTJSUOD-UWVGGRQHSA-N 0 3 347.341 2.776 10 5 EFBEHN C[C@@H]1CN(CCCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCCO1 ZINC000591936747 478716374 /nfs/dbraw/zinc/71/63/74/478716374.db2.gz LVVRDUKCOXGNFP-CQSZACIVSA-N 0 3 348.447 2.781 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCN1C1CCCC1 ZINC000601203014 478721817 /nfs/dbraw/zinc/72/18/17/478721817.db2.gz LPIQVIHTNOGMRX-SNVBAGLBSA-N 0 3 347.341 2.776 10 5 EFBEHN CCc1nnc(C2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000595453433 478794990 /nfs/dbraw/zinc/79/49/90/478794990.db2.gz GFJVBJVTQWJETP-UHFFFAOYSA-N 0 3 333.367 2.794 10 5 EFBEHN CCC(C)(C)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000564854122 478832459 /nfs/dbraw/zinc/83/24/59/478832459.db2.gz MDXZXYXTSSJVFT-QGZVFWFLSA-N 0 3 346.431 2.630 10 5 EFBEHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](C)N1 ZINC000598530955 478881609 /nfs/dbraw/zinc/88/16/09/478881609.db2.gz BDFSQJLNYLCSAQ-JOYOIKCWSA-N 0 3 345.321 2.826 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)N[C@@H](CC)C1 ZINC000598531230 478881912 /nfs/dbraw/zinc/88/19/12/478881912.db2.gz FQOCOQMNHMKXBX-KBMXLJTQSA-N 0 3 333.432 2.762 10 5 EFBEHN CC1(C)C[C@H](N(CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)CO1 ZINC000595634616 478904812 /nfs/dbraw/zinc/90/48/12/478904812.db2.gz DDHBWLSSROMZMH-INIZCTEOSA-N 0 3 344.415 2.861 10 5 EFBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(C2CCC2)CC1 ZINC000595658701 478920640 /nfs/dbraw/zinc/92/06/40/478920640.db2.gz HQFDLFAQBNVAIQ-INIZCTEOSA-N 0 3 334.416 2.847 10 5 EFBEHN C[C@H]1c2ccccc2C[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595703936 478948548 /nfs/dbraw/zinc/94/85/48/478948548.db2.gz CQWQNBTXYXCQPM-SCLBCKFNSA-N 0 3 339.395 2.876 10 5 EFBEHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565281340 478966894 /nfs/dbraw/zinc/96/68/94/478966894.db2.gz MQXWGUAWTWYVQD-BETUJISGSA-N 0 3 344.415 2.608 10 5 EFBEHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595768739 478985515 /nfs/dbraw/zinc/98/55/15/478985515.db2.gz GRYMZOWWVPERQX-XJKSGUPXSA-N 0 3 332.379 2.968 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595770890 478986789 /nfs/dbraw/zinc/98/67/89/478986789.db2.gz OHDVUUVXUOSMGF-WMLDXEAASA-N 0 3 344.415 2.838 10 5 EFBEHN O=C(CCN1CCC(c2ccon2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595828074 479020287 /nfs/dbraw/zinc/02/02/87/479020287.db2.gz IATKACPZZCUYCT-UHFFFAOYSA-N 0 3 344.371 2.791 10 5 EFBEHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCc2ccccc21 ZINC000595876135 479046576 /nfs/dbraw/zinc/04/65/76/479046576.db2.gz DPCAPYNDLZDNHR-OAHLLOKOSA-N 0 3 339.395 2.856 10 5 EFBEHN CCNc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000598856179 479057301 /nfs/dbraw/zinc/05/73/01/479057301.db2.gz VHLFRCOOUCDZQT-CYBMUJFWSA-N 0 3 334.420 2.629 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000595908259 479064828 /nfs/dbraw/zinc/06/48/28/479064828.db2.gz HAPIIPOYVQDHHK-HDICACEKSA-N 0 3 332.400 2.866 10 5 EFBEHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000546732247 479066697 /nfs/dbraw/zinc/06/66/97/479066697.db2.gz KFDVRXVNRYLMDB-AWEZNQCLSA-N 0 3 343.431 2.581 10 5 EFBEHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCCC1 ZINC000598961554 479102694 /nfs/dbraw/zinc/10/26/94/479102694.db2.gz NZFOBDCJZJCVMV-INIZCTEOSA-N 0 3 346.431 2.801 10 5 EFBEHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1C1CCCCC1 ZINC000598966933 479106244 /nfs/dbraw/zinc/10/62/44/479106244.db2.gz MAECKWPCWWWCTR-QGZVFWFLSA-N 0 3 346.431 2.801 10 5 EFBEHN C[C@H](NC(=O)NC[C@@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971948 479107460 /nfs/dbraw/zinc/10/74/60/479107460.db2.gz JREVHGJBXUCKJW-GUYCJALGSA-N 0 3 346.431 2.972 10 5 EFBEHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN1C1CCCCC1 ZINC000598979127 479112580 /nfs/dbraw/zinc/11/25/80/479112580.db2.gz JVHWSOXEOBSPQR-KRWDZBQOSA-N 0 3 346.431 2.801 10 5 EFBEHN CCN1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596063758 479117232 /nfs/dbraw/zinc/11/72/32/479117232.db2.gz XMJVOULCIJXMQA-UHFFFAOYSA-N 0 3 341.795 2.931 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)[C@@H]2CCCO2)s1 ZINC000598990339 479117785 /nfs/dbraw/zinc/11/77/85/479117785.db2.gz LARJXBIYEGQSOO-CVEARBPZSA-N 0 3 348.424 2.953 10 5 EFBEHN CCc1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000592997451 479119491 /nfs/dbraw/zinc/11/94/91/479119491.db2.gz BJJPAIFFNJELME-KRWDZBQOSA-N 0 3 330.384 2.687 10 5 EFBEHN CC(C)(CNC/C=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599007175 479124287 /nfs/dbraw/zinc/12/42/87/479124287.db2.gz MHIQACKCBMOFJW-VQHVLOKHSA-N 0 3 331.416 2.846 10 5 EFBEHN CCN1CCN([C@H](C)CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599019878 479128881 /nfs/dbraw/zinc/12/88/81/479128881.db2.gz NSUDMXUTBKOJOM-CQSZACIVSA-N 0 3 343.431 2.581 10 5 EFBEHN COCCN1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596090694 479132004 /nfs/dbraw/zinc/13/20/04/479132004.db2.gz SIVFNQBRLKWBOV-UHFFFAOYSA-N 0 3 343.811 2.780 10 5 EFBEHN CCC[C@]1(CO)CCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593027641 479132049 /nfs/dbraw/zinc/13/20/49/479132049.db2.gz UWARWIGQPXFPGI-QGZVFWFLSA-N 0 3 336.388 2.508 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000593030030 479133695 /nfs/dbraw/zinc/13/36/95/479133695.db2.gz HVERUNFCONXGAQ-OIISXLGYSA-N 0 3 348.399 2.507 10 5 EFBEHN NC(=O)[C@H]1C[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000599070361 479147397 /nfs/dbraw/zinc/14/73/97/479147397.db2.gz LSPUILGABAAMPN-ZOBUZTSGSA-N 0 3 325.368 2.538 10 5 EFBEHN CN1CCC[C@@]2(CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C2)C1 ZINC000569689656 479157247 /nfs/dbraw/zinc/15/72/47/479157247.db2.gz RTOSVQGYLJVBBF-GOSISDBHSA-N 0 3 330.432 2.791 10 5 EFBEHN COC(=O)c1ccnc(NC[C@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000599125674 479170122 /nfs/dbraw/zinc/17/01/22/479170122.db2.gz ABLQAQWVCZFRET-CYBMUJFWSA-N 0 3 348.403 2.595 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCN2C2CCCCC2)n1 ZINC000599127087 479171058 /nfs/dbraw/zinc/17/10/58/479171058.db2.gz NQCLVQVJGAOFSW-CYBMUJFWSA-N 0 3 348.403 2.595 10 5 EFBEHN CCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000596167396 479175634 /nfs/dbraw/zinc/17/56/34/479175634.db2.gz GNZCWGJLDZNATR-BBRMVZONSA-N 0 3 334.420 2.782 10 5 EFBEHN COC(=O)Cc1ccc(NC[C@@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165701 479191807 /nfs/dbraw/zinc/19/18/07/479191807.db2.gz QRJLJJPGWBOCPR-HNNXBMFYSA-N 0 3 347.415 2.739 10 5 EFBEHN COc1cnccc1N1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596218973 479206566 /nfs/dbraw/zinc/20/65/66/479206566.db2.gz MERSYTCOSJUELW-UHFFFAOYSA-N 0 3 334.401 2.695 10 5 EFBEHN COc1cc(NC[C@@H]2CCCN2CCCO)c(Cl)cc1[N+](=O)[O-] ZINC000596256193 479226959 /nfs/dbraw/zinc/22/69/59/479226959.db2.gz BNCZUPZOHXOMFV-NSHDSACASA-N 0 3 343.811 2.516 10 5 EFBEHN CC(C)N1CCCC[C@@H]1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000596303811 479246761 /nfs/dbraw/zinc/24/67/61/479246761.db2.gz CZNLWHNFYJQQEO-OAHLLOKOSA-N 0 3 333.432 2.898 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CC[C@H](OCCN3CCCCC3)C2)s1 ZINC000611104202 479284305 /nfs/dbraw/zinc/28/43/05/479284305.db2.gz MNWOMNTUOSUAQP-ZDUSSCGKSA-N 0 3 325.434 2.738 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C(F)F)C1 ZINC000611179354 479304014 /nfs/dbraw/zinc/30/40/14/479304014.db2.gz BMDQIHFGQQYGDG-JTQLQIEISA-N 0 3 343.330 2.519 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C(F)F)C1 ZINC000611179355 479304536 /nfs/dbraw/zinc/30/45/36/479304536.db2.gz BMDQIHFGQQYGDG-SNVBAGLBSA-N 0 3 343.330 2.519 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000585717004 479316024 /nfs/dbraw/zinc/31/60/24/479316024.db2.gz SQMMAJGOJAUPRW-RDJZCZTQSA-N 0 3 333.432 2.843 10 5 EFBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593460012 479350718 /nfs/dbraw/zinc/35/07/18/479350718.db2.gz YXNHTFMDVQFVIS-STQMWFEESA-N 0 3 337.395 2.656 10 5 EFBEHN CS[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1N(C)C ZINC000593465163 479353419 /nfs/dbraw/zinc/35/34/19/479353419.db2.gz KBSCBUPEUKVVFA-CVEARBPZSA-N 0 3 332.429 2.625 10 5 EFBEHN Cc1c(CN2CCC(C)(N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000599618531 479355295 /nfs/dbraw/zinc/35/52/95/479355295.db2.gz PRYJNEJJXLRDFB-UHFFFAOYSA-N 0 3 333.432 2.590 10 5 EFBEHN COCC(C)(C)N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593477764 479359729 /nfs/dbraw/zinc/35/97/29/479359729.db2.gz FZPIHQAEAIQUDE-UHFFFAOYSA-N 0 3 344.415 2.690 10 5 EFBEHN CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCN(CC)C1 ZINC000596624135 479362774 /nfs/dbraw/zinc/36/27/74/479362774.db2.gz FJDZRTAUGCVCRS-ZDUSSCGKSA-N 0 3 336.392 2.551 10 5 EFBEHN COC(=O)c1ccc(-c2cccc(OCCN(C)C)c2)c([N+](=O)[O-])c1 ZINC000596637490 479366860 /nfs/dbraw/zinc/36/68/60/479366860.db2.gz XKJWKHWUQFNUFA-UHFFFAOYSA-N 0 3 344.367 2.989 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000599649560 479368452 /nfs/dbraw/zinc/36/84/52/479368452.db2.gz BNPKKYOHNYLFAW-BBWFWOEESA-N 0 3 332.400 2.801 10 5 EFBEHN O=[N+]([O-])c1ccsc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000611413640 479372376 /nfs/dbraw/zinc/37/23/76/479372376.db2.gz JMDPKEUDXKSMKW-CYBMUJFWSA-N 0 3 325.434 2.738 10 5 EFBEHN CCN(CC)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccco1 ZINC000587520982 479372434 /nfs/dbraw/zinc/37/24/34/479372434.db2.gz ZWMZIOIYRDYLCD-HNNXBMFYSA-N 0 3 348.403 2.757 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000599661105 479377169 /nfs/dbraw/zinc/37/71/69/479377169.db2.gz SCWOOSQOUZYVOS-GVDBMIGSSA-N 0 3 348.399 2.637 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000599663470 479378508 /nfs/dbraw/zinc/37/85/08/479378508.db2.gz ZXLCPIFJLGTLEK-KFWWJZLASA-N 0 3 348.399 2.637 10 5 EFBEHN O=[N+]([O-])c1ccc(CNC[C@]2(CO)CCc3ccccc32)c(F)c1 ZINC000593653121 479413509 /nfs/dbraw/zinc/41/35/09/479413509.db2.gz SYCHRNZDLKACNW-SFHVURJKSA-N 0 3 330.359 2.700 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](OCCN3CCCCC3)C2)n1 ZINC000611617443 479430649 /nfs/dbraw/zinc/43/06/49/479430649.db2.gz VFHBDQSZHZBCGS-INIZCTEOSA-N 0 3 348.447 2.688 10 5 EFBEHN CN(CCN1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830670 479443832 /nfs/dbraw/zinc/44/38/32/479443832.db2.gz WKKNLOXYNWVIQI-UHFFFAOYSA-N 0 3 343.387 2.703 10 5 EFBEHN CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCN(C)CC1 ZINC000599985380 479486642 /nfs/dbraw/zinc/48/66/42/479486642.db2.gz DIEWZLNLGXJPHU-UHFFFAOYSA-N 0 3 330.388 2.632 10 5 EFBEHN CN(CCN1CCCCC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593883390 479497204 /nfs/dbraw/zinc/49/72/04/479497204.db2.gz MNKRGZWUUAOVPQ-UHFFFAOYSA-N 0 3 330.388 2.634 10 5 EFBEHN CC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCCO1 ZINC000594044959 479563991 /nfs/dbraw/zinc/56/39/91/479563991.db2.gz RKUOQYQSHPQYAJ-HOCLYGCPSA-N 0 3 335.404 2.779 10 5 EFBEHN CC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594044155 479564236 /nfs/dbraw/zinc/56/42/36/479564236.db2.gz PPOIYXYIXVZVSO-HOCLYGCPSA-N 0 3 336.388 2.819 10 5 EFBEHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCCO1 ZINC000594045730 479566434 /nfs/dbraw/zinc/56/64/34/479566434.db2.gz YZRONQRCQWLGJB-GOEBONIOSA-N 0 3 335.404 2.779 10 5 EFBEHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCCO1 ZINC000594045732 479566627 /nfs/dbraw/zinc/56/66/27/479566627.db2.gz YZRONQRCQWLGJB-ZBFHGGJFSA-N 0 3 335.404 2.779 10 5 EFBEHN CN1C[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590044641 479595295 /nfs/dbraw/zinc/59/52/95/479595295.db2.gz KALJCNQOMFSRFG-CZUORRHYSA-N 0 3 331.416 2.668 10 5 EFBEHN CN1C[C@H]2[C@@H](CCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000590052575 479596532 /nfs/dbraw/zinc/59/65/32/479596532.db2.gz DZTNHPSAXPJWKI-YOEHRIQHSA-N 0 3 327.384 2.991 10 5 EFBEHN CO[C@@]1(CO)CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597186084 479611407 /nfs/dbraw/zinc/61/14/07/479611407.db2.gz BFIUHGSSGNZODE-SFHVURJKSA-N 0 3 346.383 2.828 10 5 EFBEHN CN1C[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000590183923 479614541 /nfs/dbraw/zinc/61/45/41/479614541.db2.gz DWIPWEVYHVRPCK-IINYFYTJSA-N 0 3 329.322 2.750 10 5 EFBEHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590445866 479648849 /nfs/dbraw/zinc/64/88/49/479648849.db2.gz TXOBBBMJRXDKIV-SWLSCSKDSA-N 0 3 349.456 2.873 10 5 EFBEHN C[C@H]1[C@H](N(C)C)CCN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000615303188 479652344 /nfs/dbraw/zinc/65/23/44/479652344.db2.gz GHFCTHZDBLHTQR-SCLBCKFNSA-N 0 3 349.434 2.846 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(OCCCO)CC1 ZINC000615835201 479766090 /nfs/dbraw/zinc/76/60/90/479766090.db2.gz YOFSSSUIPXFQBC-QINSGFPZSA-N 0 3 334.416 2.862 10 5 EFBEHN Cc1ccc([C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)N(C)C)cc1 ZINC000619570537 479830737 /nfs/dbraw/zinc/83/07/37/479830737.db2.gz BTKXXFSUSAHEFP-KRWDZBQOSA-N 0 3 344.415 2.693 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000610002475 480226727 /nfs/dbraw/zinc/22/67/27/480226727.db2.gz MQTYGCDJWDZRQL-CRAIPNDOSA-N 0 3 333.432 2.843 10 5 EFBEHN COc1ccc(OCCN2CCC[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000610368696 480291666 /nfs/dbraw/zinc/29/16/66/480291666.db2.gz CUNJIWSMJHWERY-AWEZNQCLSA-N 0 3 346.387 2.516 10 5 EFBEHN COC[C@](C)(CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610518959 480327585 /nfs/dbraw/zinc/32/75/85/480327585.db2.gz BDKGMTYPUJPCON-INIZCTEOSA-N 0 3 336.413 2.810 10 5 EFBEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178223476 519872231 /nfs/dbraw/zinc/87/22/31/519872231.db2.gz KXWGTODOPYQAAT-GXTWGEPZSA-N 0 3 329.404 2.975 10 5 EFBEHN CCOc1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000119103026 520898776 /nfs/dbraw/zinc/89/87/76/520898776.db2.gz DZURBCUNOFRJTL-LSDHHAIUSA-N 0 3 347.415 2.550 10 5 EFBEHN COc1cc(CNC[C@@](C)(O)CCC(C)C)c([N+](=O)[O-])cc1OC ZINC000077455737 522459750 /nfs/dbraw/zinc/45/97/50/522459750.db2.gz LGJPBSQAEJPGBR-KRWDZBQOSA-N 0 3 340.420 2.889 10 5 EFBEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000180611242 522532907 /nfs/dbraw/zinc/53/29/07/522532907.db2.gz YJWCUCKBQBMVFL-GXTWGEPZSA-N 0 3 329.404 2.723 10 5 EFBEHN CCc1nc2n(n1)C[C@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)CC2 ZINC000180632142 522535246 /nfs/dbraw/zinc/53/52/46/522535246.db2.gz ZLUYHHAVXHTTQL-UKRRQHHQSA-N 0 3 329.404 2.804 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CCCC[C@@H]1C ZINC000156104878 522979647 /nfs/dbraw/zinc/97/96/47/522979647.db2.gz VZBYORIEMIIKJT-LBPRGKRZSA-N 0 3 336.392 2.599 10 5 EFBEHN COc1ccc(CC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000157889946 523915662 /nfs/dbraw/zinc/91/56/62/523915662.db2.gz QNRDTDLEKRIQDC-UHFFFAOYSA-N 0 3 344.415 2.755 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000183327097 525563239 /nfs/dbraw/zinc/56/32/39/525563239.db2.gz JWQQFLUHZQHGRI-GOSISDBHSA-N 0 3 333.432 2.590 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000183327132 525563421 /nfs/dbraw/zinc/56/34/21/525563421.db2.gz JWQQFLUHZQHGRI-SFHVURJKSA-N 0 3 333.432 2.590 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000067211379 526073266 /nfs/dbraw/zinc/07/32/66/526073266.db2.gz HOVOQVODMVRBPP-INIZCTEOSA-N 0 3 341.411 2.806 10 5 EFBEHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2ccn[nH]2)CC1 ZINC000195506367 526168852 /nfs/dbraw/zinc/16/88/52/526168852.db2.gz GHNVKPRYSGIVTR-GFCCVEGCSA-N 0 3 343.387 2.525 10 5 EFBEHN Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000245619144 526524775 /nfs/dbraw/zinc/52/47/75/526524775.db2.gz WFBOAUCKXGNQFW-HZPDHXFCSA-N 0 3 330.388 2.805 10 5 EFBEHN O=[N+]([O-])c1cc(CN2CCC(c3ccn[nH]3)CC2)c2c(c1)COCO2 ZINC000195506575 527328899 /nfs/dbraw/zinc/32/88/99/527328899.db2.gz FERYVILHXALCIH-UHFFFAOYSA-N 0 3 344.371 2.564 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCCN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195507152 527370673 /nfs/dbraw/zinc/37/06/73/527370673.db2.gz PRYPTZSCAPOMDB-UHFFFAOYSA-N 0 3 330.388 2.966 10 5 EFBEHN Cc1ccnc(C2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000755216284 575561385 /nfs/dbraw/zinc/56/13/85/575561385.db2.gz VVCUBJLQIUGRAK-QGZVFWFLSA-N 0 3 342.399 2.606 10 5 EFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000755298003 575571567 /nfs/dbraw/zinc/57/15/67/575571567.db2.gz WFYQNQWECGJMHE-IVOILVROSA-N 0 3 329.400 2.599 10 5 EFBEHN CCCCCC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000759391480 575890729 /nfs/dbraw/zinc/89/07/29/575890729.db2.gz YIXKJOJXAOCLAO-HOCLYGCPSA-N 0 3 336.436 2.807 10 5 EFBEHN Cc1nn(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761291817 576141055 /nfs/dbraw/zinc/14/10/55/576141055.db2.gz KBUAOJGIWCPLOO-HUUCEWRRSA-N 0 3 344.415 2.959 10 5 EFBEHN Cc1nn(CN2CCC[C@H]3COCC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000761294598 576141390 /nfs/dbraw/zinc/14/13/90/576141390.db2.gz YFVNJAZXWGRXRH-BBRMVZONSA-N 0 3 330.388 2.711 10 5 EFBEHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000765006841 576535600 /nfs/dbraw/zinc/53/56/00/576535600.db2.gz YYXAGZCMNZMRML-CRAIPNDOSA-N 0 3 327.384 2.588 10 5 EFBEHN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000765849334 577082673 /nfs/dbraw/zinc/08/26/73/577082673.db2.gz OLOQXTWRQXYZNK-WBMJQRKESA-N 0 3 344.367 2.750 10 5 EFBEHN CCN1CCC[C@H]1CNC(=S)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000774579682 581494541 /nfs/dbraw/zinc/49/45/41/581494541.db2.gz HKYPCINFYQQZEA-STQMWFEESA-N 0 3 336.461 2.604 10 5 EFBEHN O=[N+]([O-])c1ccc2[nH]c(NC3CCN(C[C@@H]4CCCO4)CC3)nc2c1 ZINC000774661341 581496837 /nfs/dbraw/zinc/49/68/37/581496837.db2.gz YHYVEAHDOFXFQG-AWEZNQCLSA-N 0 3 345.403 2.526 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[S@@](=O)CC(F)(F)F ZINC000850494256 1250507630 /nfs/dbraw/zinc/50/76/30/1250507630.db2.gz ZVKYCZNCJYALSO-MLMJSJRWSA-N 0 3 338.351 2.865 10 5 EFBEHN CC1(C(=O)NC[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CC=CC1 ZINC001691164469 1248495583 /nfs/dbraw/zinc/49/55/83/1248495583.db2.gz VTPBWEYRQQTNRN-KOMQPUFPSA-N 0 3 343.427 2.936 10 5 EFBEHN O=[N+]([O-])c1cc(CN[C@@H]2C[C@H](O)C23CCC3)ccc1Br ZINC000850389221 1250461183 /nfs/dbraw/zinc/46/11/83/1250461183.db2.gz UDAYAHVQZJLAAU-OLZOCXBDSA-N 0 3 341.205 2.750 10 5 EFBEHN Cc1c([C@@H](C)NCC[S@@](=O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000850490544 1250502480 /nfs/dbraw/zinc/50/24/80/1250502480.db2.gz CVSAAGRVHPXVAJ-ZQJOYCHOSA-N 0 3 338.351 2.865 10 5 EFBEHN C[C@H]1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000922557331 1266253341 /nfs/dbraw/zinc/25/33/41/1266253341.db2.gz OEHUDWNIUGSRKS-NHYWBVRUSA-N 0 3 332.429 2.901 10 5 EFBEHN O=C(Cc1ccoc1)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001273069773 1267211738 /nfs/dbraw/zinc/21/17/38/1267211738.db2.gz YYNZBTRXVUDRAF-UHFFFAOYSA-N 0 3 343.383 2.559 10 5 EFBEHN O=C1O[C@@H](CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000844338541 1278895822 /nfs/dbraw/zinc/89/58/22/1278895822.db2.gz QLUVDNPREBYHNY-YOEHRIQHSA-N 0 3 345.399 2.757 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)C3CCCCC3)CC2)cc1 ZINC000788816730 1276336213 /nfs/dbraw/zinc/33/62/13/1276336213.db2.gz RGVXQDXCZRGTFG-SFHVURJKSA-N 0 3 333.432 2.658 10 5 EFBEHN CCOc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000819025364 1276594045 /nfs/dbraw/zinc/59/40/45/1276594045.db2.gz OKZPNTZFRJEKGF-INIZCTEOSA-N 0 3 334.347 2.956 10 5 EFBEHN Cc1ccc(CC(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001493621294 1276705539 /nfs/dbraw/zinc/70/55/39/1276705539.db2.gz ZUXXGZFZBGTAIT-UHFFFAOYSA-N 0 3 341.411 2.694 10 5 EFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000923271822 1277441443 /nfs/dbraw/zinc/44/14/43/1277441443.db2.gz WBQXTPMEGNOWRG-FONJURLJSA-N 0 3 329.400 2.693 10 5 EFBEHN C/C(=C\C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000844642731 1279163534 /nfs/dbraw/zinc/16/35/34/1279163534.db2.gz KNLSWDBDEPQKED-DDQKFYEASA-N 0 3 331.416 2.938 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CC[C@@H](C4CC4)N3)n2)c1 ZINC000844915552 1279335535 /nfs/dbraw/zinc/33/55/35/1279335535.db2.gz GGKAUFOIPAXXBC-UONOGXRCSA-N 0 3 344.371 2.780 10 5 EFBEHN CC([C@H](OC(=O)CCOCC1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881133 1279905349 /nfs/dbraw/zinc/90/53/49/1279905349.db2.gz YDWJDMXQXXIZMM-BZNIZROVSA-N 0 3 325.336 2.892 10 5 EFBEHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)[C@@H]1CCCO1 ZINC000872089064 1287425454 /nfs/dbraw/zinc/42/54/54/1287425454.db2.gz YUODWOPBZOBNAI-GDLCADMTSA-N 0 3 326.418 2.507 10 5 EFBEHN CC[C@@H]1CN(C)CCCN1C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000846989780 1280676036 /nfs/dbraw/zinc/67/60/36/1280676036.db2.gz USAIIKVCWPXZFW-OBEJXRGXSA-N 0 3 331.416 2.941 10 5 EFBEHN Cc1nccn1-c1ccncc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001146987529 1281075299 /nfs/dbraw/zinc/07/52/99/1281075299.db2.gz WLVKDKBOURZWDP-UHFFFAOYSA-N 0 3 341.302 2.875 10 5 EFBEHN Cc1nccn1-c1cc[nH+]cc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001146987529 1281075305 /nfs/dbraw/zinc/07/53/05/1281075305.db2.gz WLVKDKBOURZWDP-UHFFFAOYSA-N 0 3 341.302 2.875 10 5 EFBEHN Cc1ccc(CNC[C@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000872231773 1287488254 /nfs/dbraw/zinc/48/82/54/1287488254.db2.gz RMMHHUJMGOLEHQ-AWEZNQCLSA-N 0 3 334.347 2.572 10 5 EFBEHN Cc1ccc(CNC[C@H](O)COCc2ccccc2F)cc1[N+](=O)[O-] ZINC000872231486 1287489189 /nfs/dbraw/zinc/48/91/89/1287489189.db2.gz LHAWHSJJALLGFJ-INIZCTEOSA-N 0 3 348.374 2.710 10 5 EFBEHN C[C@H](NCc1cccnc1-n1ccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558773 1287595066 /nfs/dbraw/zinc/59/50/66/1287595066.db2.gz NMYBYPAJQQGXAD-LBPRGKRZSA-N 0 3 338.371 2.609 10 5 EFBEHN O=[N+]([O-])c1ccc2cnn(CN3CCC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000747828707 1285553295 /nfs/dbraw/zinc/55/32/95/1285553295.db2.gz HPGFWKCZLQXIGS-LSDHHAIUSA-N 0 3 330.388 2.651 10 5 EFBEHN CC(COC(=O)c1cccnc1OCc1ccccc1F)[N+](=O)[O-] ZINC000813101636 1285651872 /nfs/dbraw/zinc/65/18/72/1285651872.db2.gz FZMWTEZUOWBHLY-NSHDSACASA-N 0 3 334.303 2.622 10 5 EFBEHN CC(COC(=O)CSCc1cc(-c2cccs2)on1)[N+](=O)[O-] ZINC000813104665 1285653540 /nfs/dbraw/zinc/65/35/40/1285653540.db2.gz FRVVERFBZRJHTO-SECBINFHSA-N 0 3 342.398 2.845 10 5 EFBEHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000813104772 1285653688 /nfs/dbraw/zinc/65/36/88/1285653688.db2.gz HFFCLIXNWYUMRE-NSHDSACASA-N 0 3 335.335 2.786 10 5 EFBEHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(C)cc1 ZINC000813102695 1285653874 /nfs/dbraw/zinc/65/38/74/1285653874.db2.gz IWGSNDYYFXZQAW-ZDUSSCGKSA-N 0 3 331.372 2.955 10 5 EFBEHN CC(COC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)[N+](=O)[O-] ZINC000813109320 1285682891 /nfs/dbraw/zinc/68/28/91/1285682891.db2.gz IAMUPBBRDLXANA-JFUSQASVSA-N 0 3 333.262 2.897 10 5 EFBEHN CC(COC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)[N+](=O)[O-] ZINC000813110911 1285683060 /nfs/dbraw/zinc/68/30/60/1285683060.db2.gz LUOFWENOACFKSC-GFCCVEGCSA-N 0 3 336.388 2.627 10 5 EFBEHN CC(COC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)[N+](=O)[O-] ZINC000813112882 1285683598 /nfs/dbraw/zinc/68/35/98/1285683598.db2.gz VQZNSNXMVGACLU-SECBINFHSA-N 0 3 340.282 2.761 10 5 EFBEHN COc1ccc(C(=O)CC(C)(C)CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114829 1285685032 /nfs/dbraw/zinc/68/50/32/1285685032.db2.gz HNCKBCFDIJSAHQ-GFCCVEGCSA-N 0 3 337.372 2.893 10 5 EFBEHN CC(COC(=O)CCc1cc(F)ccc1Br)[N+](=O)[O-] ZINC000813114718 1285685189 /nfs/dbraw/zinc/68/51/89/1285685189.db2.gz GEXGMYLTUQAFCF-QMMMGPOBSA-N 0 3 334.141 2.729 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](c3ncccn3)C2)cc1 ZINC001176525135 1288018317 /nfs/dbraw/zinc/01/83/17/1288018317.db2.gz WEBMJWBXLUHFNH-CQSZACIVSA-N 0 3 328.372 2.643 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](c3ncccn3)C2)cc1 ZINC001176525134 1288018861 /nfs/dbraw/zinc/01/88/61/1288018861.db2.gz WEBMJWBXLUHFNH-AWEZNQCLSA-N 0 3 328.372 2.643 10 5 EFBEHN CN1C[C@@H]2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC000816952713 1288336755 /nfs/dbraw/zinc/33/67/55/1288336755.db2.gz QKJOPOTYGPERTI-QPUJVOFHSA-N 0 3 344.198 2.678 10 5 EFBEHN CCN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCN(C)C1 ZINC000823254567 1289250123 /nfs/dbraw/zinc/25/01/23/1289250123.db2.gz YLQNWBMUIFCVBI-SNVBAGLBSA-N 0 3 326.784 2.806 10 5 EFBEHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCC[C@]23CCCO3)cccc1[N+](=O)[O-] ZINC000880507833 1292522675 /nfs/dbraw/zinc/52/26/75/1292522675.db2.gz PEMFNGXGRMXCBH-XCRHUMRWSA-N 0 3 347.415 2.922 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)Cc1ccc(F)cc1 ZINC000886238589 1294782289 /nfs/dbraw/zinc/78/22/89/1294782289.db2.gz CYNOBNKFZRRMKU-KRWDZBQOSA-N 0 3 348.374 2.826 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](c2cn(C)nn2)C1 ZINC001198612298 1295147514 /nfs/dbraw/zinc/14/75/14/1295147514.db2.gz NDSJLMJFIAANLV-KBPBESRZSA-N 0 3 329.404 2.972 10 5 EFBEHN CN1CCCC[C@@H]1CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000803857500 1313261074 /nfs/dbraw/zinc/26/10/74/1313261074.db2.gz XFLHSRYTNSYZTF-CQSZACIVSA-N 0 3 334.372 2.585 10 5 EFBEHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000852351705 1299673199 /nfs/dbraw/zinc/67/31/99/1299673199.db2.gz SKVUJEKLYXOLTR-NILFDRSVSA-N 0 3 342.823 2.904 10 5 EFBEHN COc1cc(NC[C@@H]2CN3CCC[C@H]3CO2)c(Cl)cc1[N+](=O)[O-] ZINC000853242738 1300063734 /nfs/dbraw/zinc/06/37/34/1300063734.db2.gz WLAVYEXGVRYAPL-WDEREUQCSA-N 0 3 341.795 2.532 10 5 EFBEHN COCCN1CCC[C@H]1COC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000861036172 1301993584 /nfs/dbraw/zinc/99/35/84/1301993584.db2.gz WIQVWDZERNEKJG-VSOYFRJCSA-N 0 3 348.399 2.652 10 5 EFBEHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4ccccc43)[C@@H]2C1 ZINC000861807856 1302210581 /nfs/dbraw/zinc/21/05/81/1302210581.db2.gz GLRHYCHWXMGMRB-CXAGYDPISA-N 0 3 325.368 2.524 10 5 EFBEHN CCOc1cc(N(C)CCN2CC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000866258547 1303582349 /nfs/dbraw/zinc/58/23/49/1303582349.db2.gz YEOCPPHSPMDRHA-UHFFFAOYSA-N 0 3 349.431 2.542 10 5 EFBEHN CSc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871150231 1305837237 /nfs/dbraw/zinc/83/72/37/1305837237.db2.gz KRCNBYXJAGHTFH-UHFFFAOYSA-N 0 3 337.445 2.873 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@]1(OC)CCSC1 ZINC000903314881 1312563019 /nfs/dbraw/zinc/56/30/19/1312563019.db2.gz CUOJVBFKTBNCGV-ABAIWWIYSA-N 0 3 326.418 2.776 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@]1(OC)CCSC1 ZINC000903314882 1312563108 /nfs/dbraw/zinc/56/31/08/1312563108.db2.gz CUOJVBFKTBNCGV-IAQYHMDHSA-N 0 3 326.418 2.776 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@]1(OC(C)C)CCOC1 ZINC000903357353 1312595110 /nfs/dbraw/zinc/59/51/10/1312595110.db2.gz LQXKJIGGZMJKQS-CXAGYDPISA-N 0 3 338.404 2.838 10 5 EFBEHN O=C(NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC001265150264 1316739312 /nfs/dbraw/zinc/73/93/12/1316739312.db2.gz AIIXDWMKWHSSDP-UHFFFAOYSA-N 0 3 343.383 2.972 10 5 EFBEHN CCn1cccc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001265974321 1316934369 /nfs/dbraw/zinc/93/43/69/1316934369.db2.gz IMYNYZDOEVBQIB-UHFFFAOYSA-N 0 3 344.415 2.668 10 5 EFBEHN CCN(CCCNC(=O)c1c[nH]cc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266109397 1317049427 /nfs/dbraw/zinc/04/94/27/1317049427.db2.gz VJKDBIGKGKCGOH-UHFFFAOYSA-N 0 3 344.415 2.873 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(C(C)(C)C)CC1 ZINC001292258995 1322049104 /nfs/dbraw/zinc/04/91/04/1322049104.db2.gz RBGMDLDSHTXQJB-UHFFFAOYSA-N 0 3 349.431 2.940 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1Cc2c[nH]nc2[C@@H](C)C1 ZINC001307989097 1324788878 /nfs/dbraw/zinc/78/88/78/1324788878.db2.gz PHTIHMVAGOJOCX-LBPRGKRZSA-N 0 3 343.387 2.574 10 5 EFBEHN CN(CCCNC(=O)/C=C\c1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316817861 1325074426 /nfs/dbraw/zinc/07/44/26/1325074426.db2.gz BPVOYLRKHMNNRH-YFHOEESVSA-N 0 3 342.399 2.574 10 5 EFBEHN CC(C)c1nocc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001317594718 1328174121 /nfs/dbraw/zinc/17/41/21/1328174121.db2.gz VRXGHXWSOXTFTQ-UHFFFAOYSA-N 0 3 346.387 2.568 10 5 EFBEHN CCCCC(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001325714998 1329708332 /nfs/dbraw/zinc/70/83/32/1329708332.db2.gz AOHITDOACPOWOZ-IYBDPMFKSA-N 0 3 331.416 2.675 10 5 EFBEHN O=C(C[C@H]1NCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327865926 1330524205 /nfs/dbraw/zinc/52/42/05/1330524205.db2.gz WOMNSEMKLBSUOY-GOSISDBHSA-N 0 3 337.379 2.714 10 5 EFBEHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC001331694383 1330867251 /nfs/dbraw/zinc/86/72/51/1330867251.db2.gz KVXPCEIWTXPPSB-OAHLLOKOSA-N 0 3 346.431 2.773 10 5 EFBEHN COC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001346110370 1332600160 /nfs/dbraw/zinc/60/01/60/1332600160.db2.gz PXMFCBATMMNYQJ-DLBZAZTESA-N 0 3 334.347 2.745 10 5 EFBEHN C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001349383018 1332945499 /nfs/dbraw/zinc/94/54/99/1332945499.db2.gz JASNZMQHFZHUJW-ZDUSSCGKSA-N 0 3 349.406 2.752 10 5 EFBEHN CC(C)N(CC1CC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474873 1334734889 /nfs/dbraw/zinc/73/48/89/1334734889.db2.gz KHUPEDZGAZPQIR-KRWDZBQOSA-N 0 3 331.416 2.989 10 5 EFBEHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCC[C@@H]1C1CC1 ZINC000848476335 1334735530 /nfs/dbraw/zinc/73/55/30/1334735530.db2.gz ABGRVJOSFRDANZ-DLBZAZTESA-N 0 3 329.400 2.743 10 5 EFBEHN CC[C@@H]1C[C@@H](C)CN1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481259 1334737875 /nfs/dbraw/zinc/73/78/75/1334737875.db2.gz XLVJTKUVNPDCRU-FRFSOERESA-N 0 3 331.416 2.989 10 5 EFBEHN C[C@@H]1[C@H](C)CN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)[C@H]1C ZINC000848489097 1334745940 /nfs/dbraw/zinc/74/59/40/1334745940.db2.gz PZYBNLSACXAENN-VWPFQQQWSA-N 0 3 331.416 2.845 10 5 EFBEHN C[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561650 1334795926 /nfs/dbraw/zinc/79/59/26/1334795926.db2.gz ASVDXEQNKYMRFU-RWMBFGLXSA-N 0 3 341.839 2.836 10 5 EFBEHN O=C1O[C@@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848571657 1334801220 /nfs/dbraw/zinc/80/12/20/1334801220.db2.gz GGDZROASMQVFTP-RDJZCZTQSA-N 0 3 345.399 2.935 10 5 EFBEHN O=C(N[C@@]12CCN(C1)CCC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001438615126 1388701695 /nfs/dbraw/zinc/70/16/95/1388701695.db2.gz VMLCMFHYUAEUOE-AWEZNQCLSA-N 0 3 343.305 2.582 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](c3cnccn3)C2)cc1 ZINC001460863393 1396265918 /nfs/dbraw/zinc/26/59/18/1396265918.db2.gz UBKQOIVMJFIVKV-CQSZACIVSA-N 0 3 328.372 2.643 10 5 EFBEHN O=C(CCC1CC1)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001479286471 1397666896 /nfs/dbraw/zinc/66/68/96/1397666896.db2.gz FPUJWVBTHFUWEB-FZNQNYSPSA-N 0 3 331.416 2.769 10 5 EFBEHN CCN(CCCNC(=O)c1cc(C)on1)Cc1cccc([N+](=O)[O-])c1 ZINC001479837515 1397934003 /nfs/dbraw/zinc/93/40/03/1397934003.db2.gz TVLURZRYQIFPPK-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1(C(F)F)CC1 ZINC001497393850 1401345405 /nfs/dbraw/zinc/34/54/05/1401345405.db2.gz KDKCQEHTWGIDIE-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN CN(CCCN(C)C(=O)c1ccoc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001502159999 1404057313 /nfs/dbraw/zinc/05/73/13/1404057313.db2.gz RSWLSEJDBKASDG-UHFFFAOYSA-N 0 3 331.372 2.782 10 5 EFBEHN CCN1C[C@H](NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C(C)(C)C1 ZINC001558527408 1415185997 /nfs/dbraw/zinc/18/59/97/1415185997.db2.gz QTQWKIGHFUEIGM-NSHDSACASA-N 0 3 341.358 2.642 10 5 EFBEHN CCN1C[C@@H](NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C(C)(C)C1 ZINC001558527407 1415186310 /nfs/dbraw/zinc/18/63/10/1415186310.db2.gz QTQWKIGHFUEIGM-LLVKDONJSA-N 0 3 341.358 2.642 10 5 EFBEHN CN(CCCNC(=O)CC(C)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001566488884 1415580992 /nfs/dbraw/zinc/58/09/92/1415580992.db2.gz ZSFNRXTUKMRYEK-UHFFFAOYSA-N 0 3 329.347 2.578 10 5 EFBEHN O=C(NCC1(NCc2ccccc2[N+](=O)[O-])CCCC1)c1cc[nH]c1 ZINC001568235327 1416450508 /nfs/dbraw/zinc/45/05/08/1416450508.db2.gz LJEZIKYZHXDVAN-UHFFFAOYSA-N 0 3 342.399 2.755 10 5 EFBEHN CCN(CCCNC(=O)c1nccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001689961518 1417107255 /nfs/dbraw/zinc/10/72/55/1417107255.db2.gz BEPWMCWGPDEIQU-UHFFFAOYSA-N 0 3 348.428 2.693 10 5 EFBEHN CC(C)N(CCCNC(=O)c1cocn1)Cc1ccccc1[N+](=O)[O-] ZINC001714815486 1418639310 /nfs/dbraw/zinc/63/93/10/1418639310.db2.gz DIIQGAGDEQSZEG-UHFFFAOYSA-N 0 3 346.387 2.613 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C)[nH]c1C ZINC001716242147 1418734807 /nfs/dbraw/zinc/73/48/07/1418734807.db2.gz QAHVBCVITGLAHO-UHFFFAOYSA-N 0 3 344.415 2.792 10 5 EFBEHN CC/C=C(\C)C(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001717008689 1419144737 /nfs/dbraw/zinc/14/47/37/1419144737.db2.gz UAISMPIUARNOSJ-IUNVMDDCSA-N 0 3 343.427 2.841 10 5 EFBEHN CC/C=C(/C)C(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001717008690 1419144908 /nfs/dbraw/zinc/14/49/08/1419144908.db2.gz UAISMPIUARNOSJ-VWHBIUGESA-N 0 3 343.427 2.841 10 5 EFBEHN CC(F)(F)CC(=O)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC001717648201 1419486714 /nfs/dbraw/zinc/48/67/14/1419486714.db2.gz RTEUHEIICOFXBR-HOMQSWHASA-N 0 3 347.387 2.686 10 5 EFBEHN CC(C)Oc1cc(C(=O)N[C@@]2(C)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892766345 719140920 /nfs/dbraw/zinc/14/09/20/719140920.db2.gz JRIDSDGSFSIAKV-SFHVURJKSA-N 0 3 347.415 2.596 10 5 EFBEHN CC(C)Oc1cc(C(=O)N[C@]2(C)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892766344 719141014 /nfs/dbraw/zinc/14/10/14/719141014.db2.gz JRIDSDGSFSIAKV-GOSISDBHSA-N 0 3 347.415 2.596 10 5 EFBEHN C[C@H]1[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000928434945 722862672 /nfs/dbraw/zinc/86/26/72/722862672.db2.gz FQVVRWWUUVCLCC-GXSJLCMTSA-N 0 3 343.836 2.549 10 5 EFBEHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928438784 722872261 /nfs/dbraw/zinc/87/22/61/722872261.db2.gz MPACFWRWIXDRHU-SMDDNHRTSA-N 0 3 337.445 2.918 10 5 EFBEHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913814363 725875764 /nfs/dbraw/zinc/87/57/64/725875764.db2.gz UPNBOTNFTGBDDP-NWDGAFQWSA-N 0 3 341.770 2.696 10 5 EFBEHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913814365 725875785 /nfs/dbraw/zinc/87/57/85/725875785.db2.gz UPNBOTNFTGBDDP-VXGBXAGGSA-N 0 3 341.770 2.696 10 5 EFBEHN CC1(C)COC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000313030346 725966361 /nfs/dbraw/zinc/96/63/61/725966361.db2.gz RGLXXNQZLJCQSG-LBPRGKRZSA-N 0 3 329.194 2.872 10 5 EFBEHN CCN1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@@H](C)C1 ZINC000910267063 727425074 /nfs/dbraw/zinc/42/50/74/727425074.db2.gz QXRRQYMJECLZHJ-HNNXBMFYSA-N 0 3 345.443 2.959 10 5 EFBEHN Cc1cc(C(=O)NCC2(NCc3ccc([N+](=O)[O-])cc3)CCC2)co1 ZINC001570102965 1085950527 /nfs/dbraw/zinc/95/05/27/1085950527.db2.gz WTVGRDALYOHRHL-UHFFFAOYSA-N 0 3 343.383 2.939 10 5 EFBEHN COc1cc(CN2CCN(C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001646536845 1087847555 /nfs/dbraw/zinc/84/75/55/1087847555.db2.gz KRHDIVOMLFZOCE-INIZCTEOSA-N 0 3 339.411 2.905 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C)C3(CCCCC3)C2)c1 ZINC001651079421 1093524143 /nfs/dbraw/zinc/52/41/43/1093524143.db2.gz LDZOTYDRJWQZAQ-UHFFFAOYSA-N 0 3 347.415 2.836 10 5 EFBEHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC001611391395 1099007923 /nfs/dbraw/zinc/00/79/23/1099007923.db2.gz OBZQVWCCELHXKA-LSDHHAIUSA-N 0 3 335.379 2.789 10 5 EFBEHN COC(=O)/C=C\c1ccc(NC[C@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC001613027379 1099087561 /nfs/dbraw/zinc/08/75/61/1099087561.db2.gz WDYKYHJNTROTPJ-IUCKJTJTSA-N 0 3 333.388 2.677 10 5 EFBEHN COC(=O)/C=C/c1ccc(NC[C@@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC001613027380 1099088228 /nfs/dbraw/zinc/08/82/28/1099088228.db2.gz WDYKYHJNTROTPJ-KGXGESDWSA-N 0 3 333.388 2.677 10 5 EFBEHN CC[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001616801260 1099195345 /nfs/dbraw/zinc/19/53/45/1099195345.db2.gz HMKIWZHSALXGRU-CQSZACIVSA-N 0 3 333.348 2.749 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)cc(F)c1 ZINC001481310559 1099213876 /nfs/dbraw/zinc/21/38/76/1099213876.db2.gz JZUBPYSXAHLGIW-UHFFFAOYSA-N 0 3 349.337 2.735 10 5 EFBEHN CC1(C)CCN(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001617111826 1099214533 /nfs/dbraw/zinc/21/45/33/1099214533.db2.gz CQGPFLFJUIGOLV-UHFFFAOYSA-N 0 3 325.796 2.710 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(F)c1F ZINC001481272220 1099461586 /nfs/dbraw/zinc/46/15/86/1099461586.db2.gz DBWHMBLVGAAPHG-UHFFFAOYSA-N 0 3 349.337 2.735 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1occc1Cl ZINC001481277260 1099762977 /nfs/dbraw/zinc/76/29/77/1099762977.db2.gz OBFFCONKMWXZDS-UHFFFAOYSA-N 0 3 337.763 2.703 10 5 EFBEHN O=C(NCC1(NCc2ccccc2[N+](=O)[O-])CCCC1)c1ccc[nH]1 ZINC001268032693 1099795884 /nfs/dbraw/zinc/79/58/84/1099795884.db2.gz QLCOYGYICQNOQB-UHFFFAOYSA-N 0 3 342.399 2.755 10 5 EFBEHN CN1CCCC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000044561317 1100308148 /nfs/dbraw/zinc/30/81/48/1100308148.db2.gz GYLIYQUHICEENW-SNVBAGLBSA-N 0 3 329.198 2.649 10 5 EFBEHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001631151688 1100374737 /nfs/dbraw/zinc/37/47/37/1100374737.db2.gz CSNOCQKUIYFAOT-UHFFFAOYSA-N 0 3 348.447 2.761 10 5 EFBEHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001634687081 1100624026 /nfs/dbraw/zinc/62/40/26/1100624026.db2.gz QOIBBCMMULCIOQ-BBRMVZONSA-N 0 3 342.399 2.563 10 5 EFBEHN Cc1ccc(NC(=O)c2cccc(CN(C)C)c2)c(N)c1[N+](=O)[O-] ZINC001636724055 1100733936 /nfs/dbraw/zinc/73/39/36/1100733936.db2.gz LWERPTPGFQCRLZ-UHFFFAOYSA-N 0 3 328.372 2.799 10 5 EFBEHN CCN1CCC[C@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001639122507 1100914972 /nfs/dbraw/zinc/91/49/72/1100914972.db2.gz JPVHNGWAMXJCKV-ZDUSSCGKSA-N 0 3 342.399 2.544 10 5 EFBEHN O=[N+]([O-])c1cnc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)s1 ZINC001640057167 1101009508 /nfs/dbraw/zinc/00/95/08/1101009508.db2.gz DQFUXLNLJTVZFD-KGLIPLIRSA-N 0 3 330.413 2.762 10 5 EFBEHN Cc1ccc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c(N)c1[N+](=O)[O-] ZINC001653215319 1101596669 /nfs/dbraw/zinc/59/66/69/1101596669.db2.gz VGVLYEHHYJYAHF-INIZCTEOSA-N 0 3 338.383 2.636 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001654081491 1101679579 /nfs/dbraw/zinc/67/95/79/1101679579.db2.gz YIJICDYWIBTGEC-NEPJUHHUSA-N 0 3 344.371 2.655 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CCC(c3ncccn3)CC2)cc1 ZINC001654845400 1101762645 /nfs/dbraw/zinc/76/26/45/1101762645.db2.gz KJAKTVWJQVAIGC-UHFFFAOYSA-N 0 3 328.372 2.643 10 5 EFBEHN COc1ccc(CN2CCC[C@H]2Cc2ccnn2C)cc1[N+](=O)[O-] ZINC001656567136 1102124193 /nfs/dbraw/zinc/12/41/93/1102124193.db2.gz GZLFVWOPXQUFNQ-HNNXBMFYSA-N 0 3 330.388 2.544 10 5 EFBEHN O=[N+]([O-])c1cccc(CNC[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000072725903 1102349166 /nfs/dbraw/zinc/34/91/66/1102349166.db2.gz UJZHYNOOECQENE-LJQANCHMSA-N 0 3 341.411 2.585 10 5 EFBEHN CCN(CCCNC(=O)c1cc(C)on1)Cc1ccc([N+](=O)[O-])cc1 ZINC001660486985 1102791844 /nfs/dbraw/zinc/79/18/44/1102791844.db2.gz SAQJKPDFNZJQPN-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC(F)(F)C1 ZINC001664023018 1104265327 /nfs/dbraw/zinc/26/53/27/1104265327.db2.gz BIEHINZMPPVNKC-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN CC(C)c1cc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)on1 ZINC001664226911 1104322045 /nfs/dbraw/zinc/32/20/45/1104322045.db2.gz HKUYDTIJWLZWHV-UHFFFAOYSA-N 0 3 346.387 2.568 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ncccc1C ZINC001668401473 1105292764 /nfs/dbraw/zinc/29/27/64/1105292764.db2.gz KISRRGQCFCJOON-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN CCc1[nH]ccc1C(=O)N(CC)CCNCc1cccc([N+](=O)[O-])c1 ZINC001668418910 1105295378 /nfs/dbraw/zinc/29/53/78/1105295378.db2.gz BGNHYMAYUWRBHW-UHFFFAOYSA-N 0 3 344.415 2.737 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cnc2n1CCOC2 ZINC000898268427 1106297869 /nfs/dbraw/zinc/29/78/69/1106297869.db2.gz ZODKVSLVOMSXKX-QPEQYQDCSA-N 0 3 328.372 2.515 10 5 EFBEHN CC[C@@H](NCC(C)(C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000926954198 1108257646 /nfs/dbraw/zinc/25/76/46/1108257646.db2.gz PRHPPJBHMBAJIA-CQSZACIVSA-N 0 3 328.434 2.706 10 5 EFBEHN CC[C@H](NCC(C)(C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000926954197 1108257777 /nfs/dbraw/zinc/25/77/77/1108257777.db2.gz PRHPPJBHMBAJIA-AWEZNQCLSA-N 0 3 328.434 2.706 10 5 EFBEHN CC[C@H]1COC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000699547962 1111547969 /nfs/dbraw/zinc/54/79/69/1111547969.db2.gz SCXDKLLOVYXOIZ-CABZTGNLSA-N 0 3 329.194 2.872 10 5 EFBEHN CCCC(=O)N[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101563291 219137430 /nfs/dbraw/zinc/13/74/30/219137430.db2.gz UGPHREPTVROXNJ-OAHLLOKOSA-N 0 3 349.431 2.744 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(C)o1 ZINC000068366454 215301950 /nfs/dbraw/zinc/30/19/50/215301950.db2.gz VKIALCSTHZGNCO-UHFFFAOYSA-N 0 3 347.371 2.965 10 5 EFBEHN CN(c1ncnc(Nc2ccccc2)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000040647961 213363921 /nfs/dbraw/zinc/36/39/21/213363921.db2.gz PVTKRHZXVWPGKW-UHFFFAOYSA-N 0 3 342.403 2.659 10 5 EFBEHN O=[N+]([O-])c1ccc(Nc2cccc(CN3CCC(CO)CC3)c2)nc1 ZINC000069329206 215379726 /nfs/dbraw/zinc/37/97/26/215379726.db2.gz YEJJGEKBLVIGKO-UHFFFAOYSA-N 0 3 342.399 2.938 10 5 EFBEHN CCCN(CCN(C)C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439158169 283231147 /nfs/dbraw/zinc/23/11/47/283231147.db2.gz OTBRIGIRYHELPG-UHFFFAOYSA-N 0 3 327.812 2.970 10 5 EFBEHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037042112 213131695 /nfs/dbraw/zinc/13/16/95/213131695.db2.gz FCHJYVRLKSYGKQ-CPCISQLKSA-N 0 3 330.182 2.669 10 5 EFBEHN CC[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037386293 213143220 /nfs/dbraw/zinc/14/32/20/213143220.db2.gz RTRWZHYNIDRUSW-MRVPVSSYSA-N 0 3 330.182 2.684 10 5 EFBEHN O=[N+]([O-])c1ccc(CNCCCNCc2cccnc2)c(Cl)c1 ZINC000414872558 244380630 /nfs/dbraw/zinc/38/06/30/244380630.db2.gz FRXAVBJMFSVIQU-UHFFFAOYSA-N 0 3 334.807 2.913 10 5 EFBEHN NC(=O)CC1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000421873786 246148552 /nfs/dbraw/zinc/14/85/52/246148552.db2.gz HRRSQCKXEJFONS-SFHVURJKSA-N 0 3 339.395 2.929 10 5 EFBEHN CC[C@@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000422194310 246293869 /nfs/dbraw/zinc/29/38/69/246293869.db2.gz YQHMWZWZROQSBT-JKSUJKDBSA-N 0 3 334.420 2.782 10 5 EFBEHN CN1CC[C@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000424190839 246691659 /nfs/dbraw/zinc/69/16/59/246691659.db2.gz PCHNTUQBLJUFQH-ZDUSSCGKSA-N 0 3 343.383 2.813 10 5 EFBEHN CCOC(=O)CC1(NCc2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000434610023 248169447 /nfs/dbraw/zinc/16/94/47/248169447.db2.gz UUSMALASONBGQA-UHFFFAOYSA-N 0 3 336.388 2.959 10 5 EFBEHN Cc1ccc([C@@H]2C[C@@H](C)CCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000266515849 248340626 /nfs/dbraw/zinc/34/06/26/248340626.db2.gz AZSBLVYDBJHZPL-MAZHCROVSA-N 0 3 348.403 2.527 10 5 EFBEHN CO[C@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000441279179 250013096 /nfs/dbraw/zinc/01/30/96/250013096.db2.gz QRWWSEWGNJIFPX-NOLJZWGESA-N 0 3 335.404 2.777 10 5 EFBEHN C[C@H]1OCC[C@@H]1N(CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449676597 251114262 /nfs/dbraw/zinc/11/42/62/251114262.db2.gz IJLPYZUWBSHBMR-DYVFJYSZSA-N 0 3 346.383 2.827 10 5 EFBEHN CC(C)(CN1CCCC1)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000452081156 251777620 /nfs/dbraw/zinc/77/76/20/251777620.db2.gz DAHUGAUDLDQMHP-UHFFFAOYSA-N 0 3 345.403 2.609 10 5 EFBEHN CO[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191714962 533109545 /nfs/dbraw/zinc/10/95/45/533109545.db2.gz VNMJDJRPURCZPC-IVZWLZJFSA-N 0 3 329.784 2.588 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000175167296 285242141 /nfs/dbraw/zinc/24/21/41/285242141.db2.gz RURXFRIFLRSNKG-OAHLLOKOSA-N 0 3 348.447 2.654 10 5 EFBEHN COc1ccc(CNC[C@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000132177699 533671655 /nfs/dbraw/zinc/67/16/55/533671655.db2.gz FFJRJUSCRYNNLT-GOSISDBHSA-N 0 3 328.368 2.527 10 5 EFBEHN O=[N+]([O-])c1cc(CNC2(CCO)CCCCC2)c2c(c1)COCO2 ZINC000344618592 142050641 /nfs/dbraw/zinc/05/06/41/142050641.db2.gz VWMMAJSVKHDCLJ-UHFFFAOYSA-N 0 3 336.388 2.636 10 5 EFBEHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccsc1 ZINC000349381684 142326716 /nfs/dbraw/zinc/32/67/16/142326716.db2.gz QLSKCZKOGPVAPK-IAQYHMDHSA-N 0 3 349.412 2.697 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000349974399 142385403 /nfs/dbraw/zinc/38/54/03/142385403.db2.gz WXDRMWRVAKSITM-INIZCTEOSA-N 0 3 331.416 2.738 10 5 EFBEHN COc1ccc(OCCN2CCC(c3ncc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000342605871 145157769 /nfs/dbraw/zinc/15/77/69/145157769.db2.gz OJKLKIOAYZYEJA-UHFFFAOYSA-N 0 3 346.387 2.585 10 5 EFBEHN O=[N+]([O-])c1cccc(F)c1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000342785089 145192108 /nfs/dbraw/zinc/19/21/08/145192108.db2.gz XWQZIMQOLBYTPQ-CQSZACIVSA-N 0 3 337.395 2.815 10 5 EFBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344192648 145389371 /nfs/dbraw/zinc/38/93/71/145389371.db2.gz WZYFUOPFEABFQF-INIZCTEOSA-N 0 3 345.374 2.637 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@@H](O)C(F)(F)F)c1 ZINC000349293586 146075962 /nfs/dbraw/zinc/07/59/62/146075962.db2.gz FLDSAMADZHHJQR-SNVBAGLBSA-N 0 3 344.236 2.599 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@H](O)C(F)(F)F)c1 ZINC000349293585 146076275 /nfs/dbraw/zinc/07/62/75/146076275.db2.gz FLDSAMADZHHJQR-JTQLQIEISA-N 0 3 344.236 2.599 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CO)c1ccsc1 ZINC000352031307 146270714 /nfs/dbraw/zinc/27/07/14/146270714.db2.gz DKLUULODCPERSW-OAHLLOKOSA-N 0 3 349.412 2.617 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CO)c1ccsc1 ZINC000352033166 146272003 /nfs/dbraw/zinc/27/20/03/146272003.db2.gz QYUVOMPWDPNLIQ-HNNXBMFYSA-N 0 3 349.412 2.617 10 5 EFBEHN COc1cnccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000355651772 147024015 /nfs/dbraw/zinc/02/40/15/147024015.db2.gz OJWVYNWIYLUXDS-UHFFFAOYSA-N 0 3 342.399 2.629 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356340714 147217010 /nfs/dbraw/zinc/21/70/10/147217010.db2.gz PDFJKPYOFXNJEW-CZUORRHYSA-N 0 3 333.432 2.814 10 5 EFBEHN CC(C)N(CCN(C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359409632 148077560 /nfs/dbraw/zinc/07/75/60/148077560.db2.gz MFAQQYIKNYGAIA-UHFFFAOYSA-N 0 3 345.346 2.608 10 5 EFBEHN Cc1c(CN(C)C2CCN(c3cnccn3)CC2)cccc1[N+](=O)[O-] ZINC000364835715 149254798 /nfs/dbraw/zinc/25/47/98/149254798.db2.gz WYXUMLHSAMCCJX-UHFFFAOYSA-N 0 3 341.415 2.794 10 5 EFBEHN Cc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc(C)c1O ZINC000368042008 150019066 /nfs/dbraw/zinc/01/90/66/150019066.db2.gz UVAKUOXUSPVDNT-UHFFFAOYSA-N 0 3 330.388 2.951 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1CN1CCCC1 ZINC000170931534 286384353 /nfs/dbraw/zinc/38/43/53/286384353.db2.gz HBXWLLSXNZCSBH-AWEZNQCLSA-N 0 3 348.403 2.696 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000123745774 222326523 /nfs/dbraw/zinc/32/65/23/222326523.db2.gz IEOQQJKOBVAWKI-GHMZBOCLSA-N 0 3 325.796 2.803 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000124234158 222395747 /nfs/dbraw/zinc/39/57/47/222395747.db2.gz AKOGSLIZMIAQOT-ZYHUDNBSSA-N 0 3 325.796 2.803 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000272158167 266171096 /nfs/dbraw/zinc/17/10/96/266171096.db2.gz DQWIPVKBHMVYGZ-FZMZJTMJSA-N 0 3 341.358 2.628 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000272158171 266171520 /nfs/dbraw/zinc/17/15/20/266171520.db2.gz DQWIPVKBHMVYGZ-RISCZKNCSA-N 0 3 341.358 2.628 10 5 EFBEHN CC(C)(C)[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000272264370 266208877 /nfs/dbraw/zinc/20/88/77/266208877.db2.gz AEAJPDIALMRUGZ-XJKSGUPXSA-N 0 3 349.431 2.652 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000276544497 267010138 /nfs/dbraw/zinc/01/01/38/267010138.db2.gz GSSQYELDRVQCFX-PWSUYJOCSA-N 0 3 337.807 2.912 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC23CCCC3)cc1 ZINC000276583709 267017940 /nfs/dbraw/zinc/01/79/40/267017940.db2.gz IMBPPZYXADWAAI-HNNXBMFYSA-N 0 3 338.429 2.681 10 5 EFBEHN C[C@@H]1CN(CCCNc2ncc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000277579101 267202896 /nfs/dbraw/zinc/20/28/96/267202896.db2.gz BRWRZERBQVYHKS-LLVKDONJSA-N 0 3 328.800 2.556 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3nccs3)C2)c1 ZINC000137016125 273019163 /nfs/dbraw/zinc/01/91/63/273019163.db2.gz NWEOYSZXZJXPEG-ZFWWWQNUSA-N 0 3 333.413 2.964 10 5 EFBEHN CCNC(=O)N1CC[C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279010564 273166250 /nfs/dbraw/zinc/16/62/50/273166250.db2.gz GXIOMGZUJZVCDB-WBMJQRKESA-N 0 3 346.431 2.711 10 5 EFBEHN CO[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000191717629 274076339 /nfs/dbraw/zinc/07/63/39/274076339.db2.gz PJIVFLOVHCGARQ-LPEHRKFASA-N 0 3 329.784 2.588 10 5 EFBEHN C[C@@H]1C[C@@H]1N1C[C@@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433289356 274397420 /nfs/dbraw/zinc/39/74/20/274397420.db2.gz OQEWZWMPCXTWOF-AWBCAMRRSA-N 0 3 343.427 2.916 10 5 EFBEHN C[C@@H]1C[C@H](C)[C@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000355791801 274399495 /nfs/dbraw/zinc/39/94/95/274399495.db2.gz ZVLZQLCXCWDRRO-RDBSUJKOSA-N 0 3 331.416 2.850 10 5 EFBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000341083691 277704505 /nfs/dbraw/zinc/70/45/05/277704505.db2.gz BSZUZNSVYJXNKV-HUUCEWRRSA-N 0 3 348.447 2.699 10 5 EFBEHN COc1ccccc1C[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174835983 278051662 /nfs/dbraw/zinc/05/16/62/278051662.db2.gz YJBXMZMBXRPTNX-OAHLLOKOSA-N 0 3 330.388 2.507 10 5 EFBEHN C[C@@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)N(C)C ZINC000357867897 278281764 /nfs/dbraw/zinc/28/17/64/278281764.db2.gz XFGSFNWOBAWWRU-KGLIPLIRSA-N 0 3 348.447 2.511 10 5 EFBEHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130316737 293161350 /nfs/dbraw/zinc/16/13/50/293161350.db2.gz YCISQWRTCRLQON-QWHCGFSZSA-N 0 3 344.415 2.926 10 5 EFBEHN CCN1CCC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000134070009 293276509 /nfs/dbraw/zinc/27/65/09/293276509.db2.gz CKTBOBXHRFYGKY-OAHLLOKOSA-N 0 3 346.431 2.753 10 5 EFBEHN CC(C)(NC[C@@H](O)COCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000292268682 294630275 /nfs/dbraw/zinc/63/02/75/294630275.db2.gz ZHHRPNBOBZWEIV-MRXNPFEDSA-N 0 3 344.411 2.997 10 5 EFBEHN C[C@H](N[C@H]1CCOC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295202518 295281685 /nfs/dbraw/zinc/28/16/85/295281685.db2.gz KYRAWFUZGHSREB-ZANVPECISA-N 0 3 341.795 2.732 10 5 EFBEHN COc1ccccc1[C@@H]1CNCCN1Cc1ccccc1[N+](=O)[O-] ZINC000261874620 295394405 /nfs/dbraw/zinc/39/44/05/295394405.db2.gz XTHIOHXHHVTBRS-KRWDZBQOSA-N 0 3 327.384 2.750 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000298625131 311008876 /nfs/dbraw/zinc/00/88/76/311008876.db2.gz ALLHMEOZINGHIZ-NSHDSACASA-N 0 3 325.796 2.852 10 5 EFBEHN COC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000299723461 311114220 /nfs/dbraw/zinc/11/42/20/311114220.db2.gz SZCLDNXCEBLJBO-INIZCTEOSA-N 0 3 343.383 2.901 10 5 EFBEHN CC1CCC(N2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)CC1 ZINC000302017543 311172257 /nfs/dbraw/zinc/17/22/57/311172257.db2.gz CRGOZEIITFRWJL-UHFFFAOYSA-N 0 3 333.432 2.788 10 5 EFBEHN COc1ccc(-c2ccc(CN[C@H]3C[C@@](C)(O)C3)o2)c([N+](=O)[O-])c1 ZINC000418106992 312327205 /nfs/dbraw/zinc/32/72/05/312327205.db2.gz CXTUGAUSYRSFRW-OYHSWFHJSA-N 0 3 332.356 2.866 10 5 EFBEHN Cc1sc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424040002 312501552 /nfs/dbraw/zinc/50/15/52/312501552.db2.gz PZQQYYLEJLLKFA-WCQYABFASA-N 0 3 349.387 2.671 10 5 EFBEHN NC(=O)[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000453377987 312895596 /nfs/dbraw/zinc/89/55/96/312895596.db2.gz WCICFBZJHZMLMO-SOLBZPMBSA-N 0 3 339.395 2.928 10 5 EFBEHN COC(=O)c1occc1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000521221966 316007985 /nfs/dbraw/zinc/00/79/85/316007985.db2.gz DIHCKGIENGYUMZ-UHFFFAOYSA-N 0 3 343.339 2.788 10 5 EFBEHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532136971 317360519 /nfs/dbraw/zinc/36/05/19/317360519.db2.gz BWMGROANQYOIPP-DZGCQCFKSA-N 0 3 340.383 2.555 10 5 EFBEHN CSc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000556856691 318415587 /nfs/dbraw/zinc/41/55/87/318415587.db2.gz AWZQGEYGBCKKQG-HNNXBMFYSA-N 0 3 348.424 2.846 10 5 EFBEHN CC[C@H]1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000568078144 319244710 /nfs/dbraw/zinc/24/47/10/319244710.db2.gz HOSYNFISHQLGOC-HDJSIYSDSA-N 0 3 340.445 2.927 10 5 EFBEHN NC[C@@H]1c2ccccc2CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000568512061 319291430 /nfs/dbraw/zinc/29/14/30/319291430.db2.gz BNQZFSDAMKKHGA-GOSISDBHSA-N 0 3 327.384 2.532 10 5 EFBEHN COCCCN1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000569478552 319385319 /nfs/dbraw/zinc/38/53/19/319385319.db2.gz BXTJCIHQSKBOIQ-UHFFFAOYSA-N 0 3 348.447 2.781 10 5 EFBEHN COc1cccc([N+](=O)[O-])c1NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000577540610 320120365 /nfs/dbraw/zinc/12/03/65/320120365.db2.gz FMMTWNBZJPVTKU-ZIAGYGMSSA-N 0 3 337.420 2.905 10 5 EFBEHN COC[C@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000181664506 323244010 /nfs/dbraw/zinc/24/40/10/323244010.db2.gz YTQNLCCFZYCBQJ-INIZCTEOSA-N 0 3 346.383 2.960 10 5 EFBEHN Cc1ccc(NC(=O)CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000095967984 473233426 /nfs/dbraw/zinc/23/34/26/473233426.db2.gz MEYQASBIIKIQLO-CYBMUJFWSA-N 0 3 328.372 2.978 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000161387057 473231523 /nfs/dbraw/zinc/23/15/23/473231523.db2.gz RZWFGHKSOVXXJF-YGRLFVJLSA-N 0 3 325.796 2.707 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000184930944 473277396 /nfs/dbraw/zinc/27/73/96/473277396.db2.gz MWTIYTWNCAEGOX-OUKQBFOZSA-N 0 3 329.400 2.741 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000177026427 473289281 /nfs/dbraw/zinc/28/92/81/473289281.db2.gz MXZMOLXGHQMAPE-CQSZACIVSA-N 0 3 337.445 2.630 10 5 EFBEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488881 473292953 /nfs/dbraw/zinc/29/29/53/473292953.db2.gz JDUHELZMFSUSRK-QGZVFWFLSA-N 0 3 340.427 2.944 10 5 EFBEHN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCCN1Cc1ccccc1 ZINC000162337812 473327622 /nfs/dbraw/zinc/32/76/22/473327622.db2.gz RQFZVUWDAVTPRL-GOSISDBHSA-N 0 3 343.383 2.972 10 5 EFBEHN Cc1nccn1C[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177210859 473331395 /nfs/dbraw/zinc/33/13/95/473331395.db2.gz VMHBDPXQQLQHOE-CQSZACIVSA-N 0 3 341.371 2.906 10 5 EFBEHN O=C(c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177313617 473353550 /nfs/dbraw/zinc/35/35/50/473353550.db2.gz GFBJPBFGFGUZDN-VBQJREDUSA-N 0 3 329.400 2.541 10 5 EFBEHN CN1CC[C@]2(CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C2)C1 ZINC000601594496 478896852 /nfs/dbraw/zinc/89/68/52/478896852.db2.gz DILSVGZEJGFDLW-SFHVURJKSA-N 0 3 343.427 2.571 10 5 EFBEHN N=C(N)NC(=N)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005785466 471521268 /nfs/dbraw/zinc/52/12/68/471521268.db2.gz YJLCCMGIGCFTKQ-UHFFFAOYSA-N 0 3 330.373 2.576 10 5 EFBEHN CN(C)CCN1C(=O)c2cccc3cc4c(N)cccc4c(c32)C1=O ZINC000027558219 472183165 /nfs/dbraw/zinc/18/31/65/472183165.db2.gz NFCSJHIEEPOZIN-UHFFFAOYSA-N 0 3 333.391 2.733 10 5 EFBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056347439 472309292 /nfs/dbraw/zinc/30/92/92/472309292.db2.gz BEPUZIYWAWSLEA-INIZCTEOSA-N 0 3 342.399 2.889 10 5 EFBEHN O=[N+]([O-])c1cnccc1Nc1cccc(CN2CCC(O)CC2)c1 ZINC000069531252 472365304 /nfs/dbraw/zinc/36/53/04/472365304.db2.gz CLKNABCUNFCFMN-UHFFFAOYSA-N 0 3 328.372 2.690 10 5 EFBEHN O=C1CC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 ZINC000076760320 472400331 /nfs/dbraw/zinc/40/03/31/472400331.db2.gz OLKNLDNYWLNXIC-JTQLQIEISA-N 0 3 349.774 2.876 10 5 EFBEHN CN(C)C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000128176506 472412405 /nfs/dbraw/zinc/41/24/05/472412405.db2.gz CKTKCNDWPQJCQC-HNNXBMFYSA-N 0 3 345.399 2.617 10 5 EFBEHN Cc1c(CN2CCC(c3nnc4n3CCC4)CC2)cccc1[N+](=O)[O-] ZINC000058246106 472526254 /nfs/dbraw/zinc/52/62/54/472526254.db2.gz VCCDDDNVFFXZDT-UHFFFAOYSA-N 0 3 341.415 2.821 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130133276 472586741 /nfs/dbraw/zinc/58/67/41/472586741.db2.gz PHZFCKUKUKVICO-LBPRGKRZSA-N 0 3 330.388 2.680 10 5 EFBEHN CC[C@H](NC(=O)NCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090073720 472591835 /nfs/dbraw/zinc/59/18/35/472591835.db2.gz PKTUPTQWRJSKRD-INIZCTEOSA-N 0 3 334.420 2.831 10 5 EFBEHN Cc1cc2c(cc1C)[C@H](NCCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090538463 472631637 /nfs/dbraw/zinc/63/16/37/472631637.db2.gz GNUMOLFTTRWEJJ-MRXNPFEDSA-N 0 3 330.388 2.912 10 5 EFBEHN Cc1ccc(CN(C)[C@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000120193950 472647403 /nfs/dbraw/zinc/64/74/03/472647403.db2.gz MGPQWGVIOMLAHU-INIZCTEOSA-N 0 3 341.415 2.794 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047142660 472659662 /nfs/dbraw/zinc/65/96/62/472659662.db2.gz VHHLVHYVIZWAOX-NSHDSACASA-N 0 3 325.796 2.852 10 5 EFBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000132246851 472723510 /nfs/dbraw/zinc/72/35/10/472723510.db2.gz DWOJPCDDRGTOJT-CQSZACIVSA-N 0 3 345.374 2.637 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1CCCCO1 ZINC000121841457 472928311 /nfs/dbraw/zinc/92/83/11/472928311.db2.gz FOMZRPVFUXFQFC-OAHLLOKOSA-N 0 3 335.404 2.733 10 5 EFBEHN COCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092649481 472951456 /nfs/dbraw/zinc/95/14/56/472951456.db2.gz CNOWAWUBLHPFLY-GFCCVEGCSA-N 0 3 345.346 2.719 10 5 EFBEHN C[C@H](NC(=O)NCCN1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000079983747 472952856 /nfs/dbraw/zinc/95/28/56/472952856.db2.gz CWXCNFMGEFDQFZ-KGLIPLIRSA-N 0 3 334.420 2.829 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000107522849 472961813 /nfs/dbraw/zinc/96/18/13/472961813.db2.gz QNDCCYCFWUAIDT-CQSZACIVSA-N 0 3 347.415 2.694 10 5 EFBEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159566375 473040344 /nfs/dbraw/zinc/04/03/44/473040344.db2.gz DNJJNYNDOGQESE-OCCSQVGLSA-N 0 3 343.383 2.941 10 5 EFBEHN CCc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066159295 473052111 /nfs/dbraw/zinc/05/21/11/473052111.db2.gz UKNPNCJCCRDPLG-OAHLLOKOSA-N 0 3 332.404 2.859 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000110351024 473153827 /nfs/dbraw/zinc/15/38/27/473153827.db2.gz IHXKUXBBPLTWCH-CYBMUJFWSA-N 0 3 342.399 2.549 10 5 EFBEHN C[C@]1(CNc2ncc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000160806106 473176946 /nfs/dbraw/zinc/17/69/46/473176946.db2.gz VZQRHBXGRYHPJE-QGZVFWFLSA-N 0 3 327.388 2.851 10 5 EFBEHN CC[C@@H](NC(=O)N(C)CCN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000185510576 473446085 /nfs/dbraw/zinc/44/60/85/473446085.db2.gz DMEZXURKIXKEAS-MRXNPFEDSA-N 0 3 334.420 2.782 10 5 EFBEHN Cc1ccc([C@@H](C)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000166529498 473528396 /nfs/dbraw/zinc/52/83/96/473528396.db2.gz NTVJYUVEDYDZCL-GDBMZVCRSA-N 0 3 343.431 2.956 10 5 EFBEHN Cc1c([C@H](C)N[C@H]2CCCN(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000166554884 473528575 /nfs/dbraw/zinc/52/85/75/473528575.db2.gz BCEGUYWDFFCAIZ-GJZGRUSLSA-N 0 3 343.431 2.956 10 5 EFBEHN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000152404482 473557713 /nfs/dbraw/zinc/55/77/13/473557713.db2.gz HDVQXQLNMGYCQV-AWEZNQCLSA-N 0 3 327.388 2.901 10 5 EFBEHN Cn1cc([C@@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116318947 473651424 /nfs/dbraw/zinc/65/14/24/473651424.db2.gz BPEQBJKGBHHZOM-CQSZACIVSA-N 0 3 330.388 2.587 10 5 EFBEHN CN(C)C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000172703442 473673701 /nfs/dbraw/zinc/67/37/01/473673701.db2.gz JNBMDCFJIQHAIF-KRWDZBQOSA-N 0 3 327.384 2.556 10 5 EFBEHN COC(=O)c1cc(C)nc(NC[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000287610043 473712446 /nfs/dbraw/zinc/71/24/46/473712446.db2.gz GACXKZHOZJIELC-CYBMUJFWSA-N 0 3 348.403 2.514 10 5 EFBEHN CC(C)N1CCC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000274420648 473815967 /nfs/dbraw/zinc/81/59/67/473815967.db2.gz DGVCORWRHNZHQW-LBPRGKRZSA-N 0 3 330.388 2.679 10 5 EFBEHN CC(C)c1nnc2n1C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173369311 473816979 /nfs/dbraw/zinc/81/69/79/473816979.db2.gz GNJFJOQTHWPMBO-TZMCWYRMSA-N 0 3 329.404 2.975 10 5 EFBEHN Cc1ccc(OC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180414990 473871928 /nfs/dbraw/zinc/87/19/28/473871928.db2.gz ORCUYEBEJQHFHU-RHSMWYFYSA-N 0 3 330.384 2.994 10 5 EFBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000246676644 473932453 /nfs/dbraw/zinc/93/24/53/473932453.db2.gz ZBSBQTYCSPIYBE-YPMHNXCESA-N 0 3 337.807 2.947 10 5 EFBEHN COc1ccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000188060666 473967743 /nfs/dbraw/zinc/96/77/43/473967743.db2.gz KEHKAMLYVUJTIL-GJZGRUSLSA-N 0 3 348.424 2.873 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)c1ccccc1 ZINC000195337572 474062225 /nfs/dbraw/zinc/06/22/25/474062225.db2.gz YULUFGHVZAKXDH-UHFFFAOYSA-N 0 3 328.372 2.507 10 5 EFBEHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COCc1ccccc1 ZINC000282506670 474092149 /nfs/dbraw/zinc/09/21/49/474092149.db2.gz RNDBFUGRHLHDOD-LJQANCHMSA-N 0 3 344.411 2.647 10 5 EFBEHN COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000220912608 474157409 /nfs/dbraw/zinc/15/74/09/474157409.db2.gz MKPCYUMNEHNKPH-IAGOWNOFSA-N 0 3 340.379 2.983 10 5 EFBEHN C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000289413785 474260733 /nfs/dbraw/zinc/26/07/33/474260733.db2.gz AMHQBLUIMOGWTJ-YVEFUNNKSA-N 0 3 337.395 2.985 10 5 EFBEHN COC[C@@](C)(CCO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175851258 474325011 /nfs/dbraw/zinc/32/50/11/474325011.db2.gz SIOLIAMQTCEXGZ-QGZVFWFLSA-N 0 3 334.372 2.732 10 5 EFBEHN COC[C@](C)(CCO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175851272 474325039 /nfs/dbraw/zinc/32/50/39/474325039.db2.gz SIOLIAMQTCEXGZ-KRWDZBQOSA-N 0 3 334.372 2.732 10 5 EFBEHN COc1cc(CN[C@@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000183216861 474352290 /nfs/dbraw/zinc/35/22/90/474352290.db2.gz GHTAURKRZXZRRI-CABZTGNLSA-N 0 3 346.330 2.862 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248563569 474358746 /nfs/dbraw/zinc/35/87/46/474358746.db2.gz KCLYPPAFFGTAII-BFQNTYOBSA-N 0 3 337.395 2.682 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000183267647 474362390 /nfs/dbraw/zinc/36/23/90/474362390.db2.gz DKAIZDRWUGSCAA-INIZCTEOSA-N 0 3 331.416 2.641 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@H](O)COCc1ccccc1 ZINC000183296800 474369491 /nfs/dbraw/zinc/36/94/91/474369491.db2.gz YSAUODZAOUGXEV-IBGZPJMESA-N 0 3 344.411 2.913 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248611242 474375809 /nfs/dbraw/zinc/37/58/09/474375809.db2.gz XQUQRSMVSKSSMT-OCCSQVGLSA-N 0 3 337.395 2.780 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN1C ZINC000265942498 474394948 /nfs/dbraw/zinc/39/49/48/474394948.db2.gz IFTFJNGYYRAHQC-DGCLKSJQSA-N 0 3 331.372 2.896 10 5 EFBEHN COc1ccc(-c2ccc(CN[C@H]3CCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000237440555 474405197 /nfs/dbraw/zinc/40/51/97/474405197.db2.gz DIVJNMOIECMUFD-HOCLYGCPSA-N 0 3 332.356 2.866 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000248842227 474452406 /nfs/dbraw/zinc/45/24/06/474452406.db2.gz NWHZSQCRJQTYFP-KYJSFNMBSA-N 0 3 345.443 2.859 10 5 EFBEHN COc1ccc(CN2C[C@@H](CO)[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000249557025 474592392 /nfs/dbraw/zinc/59/23/92/474592392.db2.gz KEHKAMLYVUJTIL-LSDHHAIUSA-N 0 3 348.424 2.873 10 5 EFBEHN CCn1nccc1CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000284213712 474596596 /nfs/dbraw/zinc/59/65/96/474596596.db2.gz AKVNPXIZTWBEPU-UHFFFAOYSA-N 0 3 344.415 2.897 10 5 EFBEHN CN1CC[C@H]2OCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284447774 474642139 /nfs/dbraw/zinc/64/21/39/474642139.db2.gz CHFSTOPUNJVKLJ-ZIAGYGMSSA-N 0 3 345.321 2.523 10 5 EFBEHN Cc1cc(NCCOc2ncccc2F)c2cc([N+](=O)[O-])ccc2n1 ZINC000340791890 474672332 /nfs/dbraw/zinc/67/23/32/474672332.db2.gz HKYIGRYVTLPJMU-UHFFFAOYSA-N 0 3 342.330 2.898 10 5 EFBEHN Cc1nc(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000252512294 474690646 /nfs/dbraw/zinc/69/06/46/474690646.db2.gz OWSOHGRCOGBKKM-VHDGCEQUSA-N 0 3 334.420 2.600 10 5 EFBEHN CC(C)Oc1ccc([C@@H](CNc2ccncc2[N+](=O)[O-])N(C)C)cc1 ZINC000340843229 474710021 /nfs/dbraw/zinc/71/00/21/474710021.db2.gz BDBFWLNLUQAGLI-QGZVFWFLSA-N 0 3 344.415 2.914 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000278658526 474760147 /nfs/dbraw/zinc/76/01/47/474760147.db2.gz NYSUUZHSRFZUCZ-ZWNOBZJWSA-N 0 3 337.807 2.769 10 5 EFBEHN CCNC(=O)C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000284804368 474779595 /nfs/dbraw/zinc/77/95/95/474779595.db2.gz OUQSDCVLYWGDGU-HNNXBMFYSA-N 0 3 349.431 2.874 10 5 EFBEHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H](Cn2cncn2)C1 ZINC000255073480 474797837 /nfs/dbraw/zinc/79/78/37/474797837.db2.gz HOKCJENTJKRIPC-IJVDHGTGSA-N 0 3 327.388 2.612 10 5 EFBEHN COc1ccc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341035220 474901109 /nfs/dbraw/zinc/90/11/09/474901109.db2.gz IKGQHQNATQWCRO-STQMWFEESA-N 0 3 335.404 2.596 10 5 EFBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000341056093 474923156 /nfs/dbraw/zinc/92/31/56/474923156.db2.gz IHCRABVGFXFBIT-GASCZTMLSA-N 0 3 348.447 2.776 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000292255294 474924734 /nfs/dbraw/zinc/92/47/34/474924734.db2.gz FANVLLZBKGPTQB-ZDUSSCGKSA-N 0 3 331.416 2.850 10 5 EFBEHN CCN1CC[C@H]2OCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000293331105 474931169 /nfs/dbraw/zinc/93/11/69/474931169.db2.gz RPVLHWLNOOVMPV-JKSUJKDBSA-N 0 3 339.823 2.543 10 5 EFBEHN COC(=O)[C@@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000326202689 475000578 /nfs/dbraw/zinc/00/05/78/475000578.db2.gz VXQMVYKZXYDDSX-GFCCVEGCSA-N 0 3 329.356 2.841 10 5 EFBEHN COc1ccccc1[C@H]1CNCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261876146 475096718 /nfs/dbraw/zinc/09/67/18/475096718.db2.gz XZSWJFZVAGEEID-QGZVFWFLSA-N 0 3 345.374 2.889 10 5 EFBEHN CNc1c(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000361212375 475274624 /nfs/dbraw/zinc/27/46/24/475274624.db2.gz MVYHPZMTRJQSKD-BETUJISGSA-N 0 3 334.420 2.629 10 5 EFBEHN CCO[C@@H]1C[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000339596441 475330550 /nfs/dbraw/zinc/33/05/50/475330550.db2.gz UEGWQNYQIJFWNQ-OIISXLGYSA-N 0 3 330.388 2.608 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000354710149 475351633 /nfs/dbraw/zinc/35/16/33/475351633.db2.gz QQOXNMJLBXYXHH-UHFFFAOYSA-N 0 3 348.447 2.882 10 5 EFBEHN COc1cnccc1N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000361529051 475521189 /nfs/dbraw/zinc/52/11/89/475521189.db2.gz BYTPULHRQZHTBH-AWEZNQCLSA-N 0 3 342.399 2.882 10 5 EFBEHN COc1cnccc1N1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000361532764 475525935 /nfs/dbraw/zinc/52/59/35/475525935.db2.gz YXWOMXRTAWPYHF-AWEZNQCLSA-N 0 3 342.399 2.882 10 5 EFBEHN Cc1c(CNC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358454531 475689961 /nfs/dbraw/zinc/68/99/61/475689961.db2.gz XCDGQPKKNAXTFK-KBPBESRZSA-N 0 3 348.447 2.965 10 5 EFBEHN Cc1cc(NCC[C@H](O)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000358521517 475742067 /nfs/dbraw/zinc/74/20/67/475742067.db2.gz PGWWQNIVUGUPEJ-ZDUSSCGKSA-N 0 3 329.278 2.599 10 5 EFBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340087685 475748221 /nfs/dbraw/zinc/74/82/21/475748221.db2.gz BRLCGZNTXRPMFT-GASCZTMLSA-N 0 3 348.447 2.699 10 5 EFBEHN C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297457536 475765133 /nfs/dbraw/zinc/76/51/33/475765133.db2.gz CCBXPMSVNNMFJX-DVOMOZLQSA-N 0 3 334.420 2.780 10 5 EFBEHN NC(=O)C1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000340464324 476051045 /nfs/dbraw/zinc/05/10/45/476051045.db2.gz SSKHYMYIWKJKPB-UHFFFAOYSA-N 0 3 343.383 2.989 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000340660235 476186322 /nfs/dbraw/zinc/18/63/22/476186322.db2.gz IVMAFYNPKOVCAQ-KBPBESRZSA-N 0 3 333.432 2.814 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000340660237 476186666 /nfs/dbraw/zinc/18/66/66/476186666.db2.gz IVMAFYNPKOVCAQ-KGLIPLIRSA-N 0 3 333.432 2.814 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(NCCCCN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000359099892 476187851 /nfs/dbraw/zinc/18/78/51/476187851.db2.gz OXXUMOYAQMEJID-GJZGRUSLSA-N 0 3 336.436 2.908 10 5 EFBEHN COc1ccc(-c2ccc(CN[C@H](C)[C@@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000304324663 476278457 /nfs/dbraw/zinc/27/84/57/476278457.db2.gz UYLRAFSCYPBYOD-NWDGAFQWSA-N 0 3 334.372 2.970 10 5 EFBEHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1cccs1 ZINC000357218583 476294158 /nfs/dbraw/zinc/29/41/58/476294158.db2.gz HYTIKJNHGLZUHT-NHYWBVRUSA-N 0 3 348.428 2.797 10 5 EFBEHN CN1CCC[C@H](CNc2ccncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000360992152 476529436 /nfs/dbraw/zinc/52/94/36/476529436.db2.gz ZYEYNCHKBUAXQS-WBMJQRKESA-N 0 3 332.429 2.968 10 5 EFBEHN C[C@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000361003114 476536845 /nfs/dbraw/zinc/53/68/45/476536845.db2.gz RQKHRWZWBXQOJV-GOEBONIOSA-N 0 3 326.400 2.877 10 5 EFBEHN C[C@@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000361003116 476537410 /nfs/dbraw/zinc/53/74/10/476537410.db2.gz RQKHRWZWBXQOJV-ZBFHGGJFSA-N 0 3 326.400 2.877 10 5 EFBEHN CCOc1ccc(C(=O)NCCN2CCCC[C@H]2CC)cc1[N+](=O)[O-] ZINC000354372370 476618574 /nfs/dbraw/zinc/61/85/74/476618574.db2.gz NBRMKWJPSYTGCJ-OAHLLOKOSA-N 0 3 349.431 2.988 10 5 EFBEHN CC1=C[C@@H](C)CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430284551 476803722 /nfs/dbraw/zinc/80/37/22/476803722.db2.gz MPJFDLHHMDBZBW-GFCCVEGCSA-N 0 3 331.372 2.791 10 5 EFBEHN O=[N+]([O-])c1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000391066703 476810460 /nfs/dbraw/zinc/81/04/60/476810460.db2.gz NPQZRZSEUWICSS-QGZVFWFLSA-N 0 3 342.399 2.693 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375431397 476835274 /nfs/dbraw/zinc/83/52/74/476835274.db2.gz NOFFLPSAFJNFTC-ZDUSSCGKSA-N 0 3 344.371 2.724 10 5 EFBEHN CC(C)N1CC[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000457130133 476893068 /nfs/dbraw/zinc/89/30/68/476893068.db2.gz TVRCVAGYEXOEDT-ZDUSSCGKSA-N 0 3 330.388 2.631 10 5 EFBEHN C[C@@H](Nc1ccc(N2CCNCC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000423238525 476972005 /nfs/dbraw/zinc/97/20/05/476972005.db2.gz VLAHGDMCUUEJLD-CYBMUJFWSA-N 0 3 327.388 2.573 10 5 EFBEHN Cc1c([C@@H](C)Nc2ccc(N3CCNCC3)cn2)cccc1[N+](=O)[O-] ZINC000423237444 476972055 /nfs/dbraw/zinc/97/20/55/476972055.db2.gz TXIISTCYPMWHDD-CQSZACIVSA-N 0 3 341.415 2.881 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000375781497 477002127 /nfs/dbraw/zinc/00/21/27/477002127.db2.gz XRRCFPPKQWVSTF-SKDZVZGDSA-N 0 3 344.415 2.977 10 5 EFBEHN Cc1sc(C(=O)NC[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000375978754 477112443 /nfs/dbraw/zinc/11/24/43/477112443.db2.gz CZHSEIDOAMIRBF-CYBMUJFWSA-N 0 3 331.397 2.582 10 5 EFBEHN CC(C)Oc1cc(C(=O)NCCN2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000411415902 477227314 /nfs/dbraw/zinc/22/73/14/477227314.db2.gz NXMFNCJVCXWMRQ-CQSZACIVSA-N 0 3 349.431 2.986 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411966978 477400564 /nfs/dbraw/zinc/40/05/64/477400564.db2.gz CMTYDXSXVSHTCE-VHSSKADRSA-N 0 3 339.395 2.857 10 5 EFBEHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC000451229772 477890528 /nfs/dbraw/zinc/89/05/28/477890528.db2.gz AKDQUYBHJIADKK-CABCVRRESA-N 0 3 336.388 2.815 10 5 EFBEHN COC(=O)COc1ccc(CN[C@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000428538942 477923843 /nfs/dbraw/zinc/92/38/43/477923843.db2.gz RNXFQXIUWVHBKX-HNNXBMFYSA-N 0 3 334.372 2.569 10 5 EFBEHN C[C@]12CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]1C2(F)F ZINC000428727704 477969192 /nfs/dbraw/zinc/96/91/92/477969192.db2.gz CUOFECJEKQDGIU-HIFRSBDPSA-N 0 3 339.342 2.901 10 5 EFBEHN Cc1cnc(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1 ZINC000516865005 477999666 /nfs/dbraw/zinc/99/96/66/477999666.db2.gz XNEKVNAHIVBZHD-UHFFFAOYSA-N 0 3 329.404 2.683 10 5 EFBEHN COc1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000459799803 478101182 /nfs/dbraw/zinc/10/11/82/478101182.db2.gz YEEGAGWRLGVTCE-DOTOQJQBSA-N 0 3 334.416 2.976 10 5 EFBEHN O=C(NC[C@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600227337 478296642 /nfs/dbraw/zinc/29/66/42/478296642.db2.gz AOOPBEFITUUMPD-CQSZACIVSA-N 0 3 335.379 2.871 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000600228377 478298018 /nfs/dbraw/zinc/29/80/18/478298018.db2.gz KOLRIUFVCHJATN-CQSZACIVSA-N 0 3 347.415 2.740 10 5 EFBEHN Cc1c(CC(=O)NC[C@@H]2CCN2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600228490 478298447 /nfs/dbraw/zinc/29/84/47/478298447.db2.gz BTWKMUBMRRXTSG-KRWDZBQOSA-N 0 3 345.443 2.969 10 5 EFBEHN CCOc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000600470732 478381892 /nfs/dbraw/zinc/38/18/92/478381892.db2.gz IFBXVHVEKBLVJK-OAHLLOKOSA-N 0 3 347.415 2.740 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600468223 478383288 /nfs/dbraw/zinc/38/32/88/478383288.db2.gz DZQKNBVDDQXEKE-AWEZNQCLSA-N 0 3 347.415 2.740 10 5 EFBEHN C[C@@H](C(=O)NC[C@@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600474527 478384479 /nfs/dbraw/zinc/38/44/79/478384479.db2.gz XWRQZZPLFLCOKX-DOMZBBRYSA-N 0 3 349.406 2.971 10 5 EFBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600474067 478385100 /nfs/dbraw/zinc/38/51/00/478385100.db2.gz WNQDKRZLCCZJCK-CQSZACIVSA-N 0 3 342.399 2.823 10 5 EFBEHN CC(C)(C)c1ccc(C(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451589 478396116 /nfs/dbraw/zinc/39/61/16/478396116.db2.gz NKNMPSSCDJPTCK-NSHDSACASA-N 0 3 333.310 2.512 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H]1CN ZINC000570634502 478403546 /nfs/dbraw/zinc/40/35/46/478403546.db2.gz ZEUBARFUSNMMAP-GOSISDBHSA-N 0 3 339.395 2.910 10 5 EFBEHN C[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594510066 478417921 /nfs/dbraw/zinc/41/79/21/478417921.db2.gz OEQQMAYMLIKQNR-WVZRYYJFSA-N 0 3 333.432 2.669 10 5 EFBEHN COC[C@@H](CC(C)(C)C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594515293 478421993 /nfs/dbraw/zinc/42/19/93/478421993.db2.gz MOBBJMZZTIWSEK-CYBMUJFWSA-N 0 3 338.404 2.907 10 5 EFBEHN COc1cccc([N+](=O)[O-])c1N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000594571833 478444295 /nfs/dbraw/zinc/44/42/95/478444295.db2.gz ACEMHYLGFNZFME-HIFRSBDPSA-N 0 3 337.445 2.619 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@H]2CC=CCC2)cc1 ZINC000600764209 478509429 /nfs/dbraw/zinc/50/94/29/478509429.db2.gz ZCUWPVHRUCIFKM-AWEZNQCLSA-N 0 3 338.429 2.705 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC000597858187 478543887 /nfs/dbraw/zinc/54/38/87/478543887.db2.gz LSGBOYJOXGEPSD-CQSZACIVSA-N 0 3 349.431 2.661 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000597859593 478546212 /nfs/dbraw/zinc/54/62/12/478546212.db2.gz VTCPARYRHOHNGZ-GFCCVEGCSA-N 0 3 325.796 2.851 10 5 EFBEHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594939934 478595245 /nfs/dbraw/zinc/59/52/45/478595245.db2.gz VVMNQLCQKVGRMV-OXHMUOHRSA-N 0 3 346.305 2.901 10 5 EFBEHN CO[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC1 ZINC000594948916 478601358 /nfs/dbraw/zinc/60/13/58/478601358.db2.gz BMNZGRASWNZKAB-KBXCAEBGSA-N 0 3 346.383 2.996 10 5 EFBEHN CO[C@@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000594954076 478603007 /nfs/dbraw/zinc/60/30/07/478603007.db2.gz XJMXVESGWRGSRU-KDOFPFPSSA-N 0 3 346.383 2.996 10 5 EFBEHN CO[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC000594952711 478603557 /nfs/dbraw/zinc/60/35/57/478603557.db2.gz REIUBEHMNJRHMG-ACJLOTCBSA-N 0 3 346.383 2.996 10 5 EFBEHN COc1cc(CNC[C@@H]2CCN2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000594967808 478610599 /nfs/dbraw/zinc/61/05/99/478610599.db2.gz VQYXATILYSWWIG-ZDUSSCGKSA-N 0 3 337.420 2.574 10 5 EFBEHN COc1cc(CNCCc2cnccc2C)c([N+](=O)[O-])cc1OC ZINC000594969092 478611313 /nfs/dbraw/zinc/61/13/13/478611313.db2.gz WGCNKNDWXZIHOA-UHFFFAOYSA-N 0 3 331.372 2.648 10 5 EFBEHN CCS(=O)(=O)C1(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000594993291 478621126 /nfs/dbraw/zinc/62/11/26/478621126.db2.gz NBZVGYCUFZORPJ-LCYFTJDESA-N 0 3 338.429 2.555 10 5 EFBEHN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@@H]1CCN(CC)C1 ZINC000598039447 478626755 /nfs/dbraw/zinc/62/67/55/478626755.db2.gz KBRAXVCPIDIGRU-OAHLLOKOSA-N 0 3 349.431 2.938 10 5 EFBEHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(CC)C1 ZINC000598040685 478628689 /nfs/dbraw/zinc/62/86/89/478628689.db2.gz QIWGGBPDUYSRRD-CQSZACIVSA-N 0 3 339.823 2.733 10 5 EFBEHN CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598040697 478629390 /nfs/dbraw/zinc/62/93/90/478629390.db2.gz QNJYABGMCVPHJL-ZDUSSCGKSA-N 0 3 325.796 2.805 10 5 EFBEHN CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595038082 478638017 /nfs/dbraw/zinc/63/80/17/478638017.db2.gz GIXCHHFGPWBYOW-UPJWGTAASA-N 0 3 336.388 2.986 10 5 EFBEHN CCN(C[C@H]1CCCN1CC)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000582625043 478645173 /nfs/dbraw/zinc/64/51/73/478645173.db2.gz IFCROIQTERKSNG-OAHLLOKOSA-N 0 3 349.431 2.615 10 5 EFBEHN CCOc1ccc([C@H](C)NC[C@H](OC)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000595058957 478645472 /nfs/dbraw/zinc/64/54/72/478645472.db2.gz CZHSJIDLNPSCKP-QEORTHHSSA-N 0 3 338.404 2.696 10 5 EFBEHN CC(C)N1CCC(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601101516 478656659 /nfs/dbraw/zinc/65/66/59/478656659.db2.gz YEOGRNQDJGPFNL-UHFFFAOYSA-N 0 3 335.330 2.632 10 5 EFBEHN C[C@H](N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595094070 478657786 /nfs/dbraw/zinc/65/77/86/478657786.db2.gz BHEJIZWGVQZQBJ-BMGDILEWSA-N 0 3 345.443 2.889 10 5 EFBEHN C[C@@H](CN1CCCCC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601104065 478658269 /nfs/dbraw/zinc/65/82/69/478658269.db2.gz ODAQLNPOQDMDFB-VIFPVBQESA-N 0 3 335.330 2.633 10 5 EFBEHN Cc1c([C@@H](C)NCCN2C[C@@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000595100739 478660463 /nfs/dbraw/zinc/66/04/63/478660463.db2.gz IPJOICCGDPZYIE-CABCVRRESA-N 0 3 346.431 2.844 10 5 EFBEHN Cc1c([C@H](C)NCCN2C[C@@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000595100740 478660611 /nfs/dbraw/zinc/66/06/11/478660611.db2.gz IPJOICCGDPZYIE-GJZGRUSLSA-N 0 3 346.431 2.844 10 5 EFBEHN CN(C)CCOc1ccccc1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601108301 478660958 /nfs/dbraw/zinc/66/09/58/478660958.db2.gz HGHCAXUJCTUZJL-UHFFFAOYSA-N 0 3 334.351 2.681 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1C[C@@H]2CCCCN2C1=O ZINC000595104294 478662151 /nfs/dbraw/zinc/66/21/51/478662151.db2.gz OPKJBGBJPVBKCB-HOCLYGCPSA-N 0 3 346.431 2.844 10 5 EFBEHN CCN1CCCC[C@@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601115728 478664282 /nfs/dbraw/zinc/66/42/82/478664282.db2.gz JMDJDKXEVCWZRX-SECBINFHSA-N 0 3 335.330 2.633 10 5 EFBEHN CCN1CC[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1C ZINC000601122404 478669904 /nfs/dbraw/zinc/66/99/04/478669904.db2.gz VVRPUFPAKDMPRD-NXEZZACHSA-N 0 3 349.357 2.656 10 5 EFBEHN C[C@@](CO)(Cc1ccc(F)cc1)NCc1ccc([N+](=O)[O-])cc1F ZINC000601152903 478691019 /nfs/dbraw/zinc/69/10/19/478691019.db2.gz ISEFVQMFZMGTQK-KRWDZBQOSA-N 0 3 336.338 2.956 10 5 EFBEHN CCCN1CCC[C@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601163322 478700162 /nfs/dbraw/zinc/70/01/62/478700162.db2.gz HONPCOALGWVELV-VIFPVBQESA-N 0 3 335.330 2.633 10 5 EFBEHN COC(=O)c1ccc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000564330582 478726157 /nfs/dbraw/zinc/72/61/57/478726157.db2.gz PSDNGBNJKGBFRT-UHFFFAOYSA-N 0 3 343.339 2.788 10 5 EFBEHN COC[C@@](C)(O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000543702518 478767328 /nfs/dbraw/zinc/76/73/28/478767328.db2.gz YOFUCEPLFQLCBC-ROUUACIJSA-N 0 3 330.384 2.671 10 5 EFBEHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601311113 478779487 /nfs/dbraw/zinc/77/94/87/478779487.db2.gz YKGRKMHEYVJBJM-CXAGYDPISA-N 0 3 343.427 2.615 10 5 EFBEHN CC(C)c1ccc(CNCC(C)(C)[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592375639 478874289 /nfs/dbraw/zinc/87/42/89/478874289.db2.gz XYEOENFPSMYRMB-GOSISDBHSA-N 0 3 336.432 2.985 10 5 EFBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(c3ccco3)CC2)c1 ZINC000595616833 478890763 /nfs/dbraw/zinc/89/07/63/478890763.db2.gz DLYFKHSPJRAXOC-MRXNPFEDSA-N 0 3 346.383 2.807 10 5 EFBEHN CC(C)N1CC[C@@H](N(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601620427 478910946 /nfs/dbraw/zinc/91/09/46/478910946.db2.gz ITWMHHUGHYRKDH-QGZVFWFLSA-N 0 3 345.443 2.958 10 5 EFBEHN COc1cc(CN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000601622865 478912991 /nfs/dbraw/zinc/91/29/91/478912991.db2.gz XDVHZLFLVHGBFF-UHFFFAOYSA-N 0 3 344.371 2.621 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000592516981 478925851 /nfs/dbraw/zinc/92/58/51/478925851.db2.gz MNZOQSKAFDDWSZ-HOCLYGCPSA-N 0 3 348.399 2.772 10 5 EFBEHN C[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595706778 478949713 /nfs/dbraw/zinc/94/97/13/478949713.db2.gz KXZLFTJSJWMKTO-BLLLJJGKSA-N 0 3 325.368 2.851 10 5 EFBEHN Cn1cc(C[C@H]2CCC[C@H]2NCc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595768738 478985269 /nfs/dbraw/zinc/98/52/69/478985269.db2.gz GRYMZOWWVPERQX-CZUORRHYSA-N 0 3 332.379 2.968 10 5 EFBEHN Cc1c(NC(=O)CCN2CC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000573147967 479002227 /nfs/dbraw/zinc/00/22/27/479002227.db2.gz VXVQGBKLPPEXLQ-NSHDSACASA-N 0 3 343.330 2.545 10 5 EFBEHN C[C@H]1COC2(CCCC2)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595805702 479008620 /nfs/dbraw/zinc/00/86/20/479008620.db2.gz BCBQMKOPXNYXGV-AWEZNQCLSA-N 0 3 347.415 2.957 10 5 EFBEHN CCCN1CC[C@@H](NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000595808785 479010849 /nfs/dbraw/zinc/01/08/49/479010849.db2.gz WJZZZSVZTLEKIN-GDBMZVCRSA-N 0 3 334.420 2.829 10 5 EFBEHN C[C@H]1COC2(CCCC2)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595813753 479012553 /nfs/dbraw/zinc/01/25/53/479012553.db2.gz BJSWDGXYHBFBQF-AWEZNQCLSA-N 0 3 347.415 2.957 10 5 EFBEHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1(NC2CC2)CCC1 ZINC000595934879 479078759 /nfs/dbraw/zinc/07/87/59/479078759.db2.gz FHGNAQFFEAGXOX-UHFFFAOYSA-N 0 3 331.416 2.708 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)[C@H]2CCCO2)s1 ZINC000598990342 479117320 /nfs/dbraw/zinc/11/73/20/479117320.db2.gz LARJXBIYEGQSOO-JKSUJKDBSA-N 0 3 348.424 2.953 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)[C@H]2CCCO2)s1 ZINC000598990341 479117511 /nfs/dbraw/zinc/11/75/11/479117511.db2.gz LARJXBIYEGQSOO-HZPDHXFCSA-N 0 3 348.424 2.953 10 5 EFBEHN COc1ccc(CN2CC[C@H]2CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000598992774 479117636 /nfs/dbraw/zinc/11/76/36/479117636.db2.gz DSNBMMHKMXLPGQ-SFHVURJKSA-N 0 3 341.411 2.968 10 5 EFBEHN CCO[C@@]1(C)C[C@H]1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000598996815 479119644 /nfs/dbraw/zinc/11/96/44/479119644.db2.gz ODECFECJKOGSOM-WBVHZDCISA-N 0 3 330.388 2.652 10 5 EFBEHN CC(C)(CNC/C=C\c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599007174 479124386 /nfs/dbraw/zinc/12/43/86/479124386.db2.gz MHIQACKCBMOFJW-CLFYSBASSA-N 0 3 331.416 2.846 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN(CCO)C2CCCCC2)c1 ZINC000593018016 479126828 /nfs/dbraw/zinc/12/68/28/479126828.db2.gz NONFPWNDFWUDQI-UHFFFAOYSA-N 0 3 336.388 2.508 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CNCC[C@@H](O)COCc1ccccc1 ZINC000599021895 479129700 /nfs/dbraw/zinc/12/97/00/479129700.db2.gz FQIZWQAFTPHECU-LJQANCHMSA-N 0 3 344.411 2.961 10 5 EFBEHN Cc1noc([C@@H]2OCC[C@@H]2N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000599093568 479159748 /nfs/dbraw/zinc/15/97/48/479159748.db2.gz RWSOVRXPQCHNMM-HRCADAONSA-N 0 3 344.371 2.783 10 5 EFBEHN COC(=O)c1ccnc(NC[C@@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000599125675 479170675 /nfs/dbraw/zinc/17/06/75/479170675.db2.gz ABLQAQWVCZFRET-ZDUSSCGKSA-N 0 3 348.403 2.595 10 5 EFBEHN COC(=O)c1c(Cl)c(NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000596184345 479185230 /nfs/dbraw/zinc/18/52/30/479185230.db2.gz FUBGAQCZSVWNNI-UHFFFAOYSA-N 0 3 339.779 2.709 10 5 EFBEHN COC(=O)Cc1ccc(NC[C@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165702 479191512 /nfs/dbraw/zinc/19/15/12/479191512.db2.gz QRJLJJPGWBOCPR-OAHLLOKOSA-N 0 3 347.415 2.739 10 5 EFBEHN CCC1(N2CCOCC2)CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000599183782 479200416 /nfs/dbraw/zinc/20/04/16/479200416.db2.gz UUVYXMUNXDNRSO-UHFFFAOYSA-N 0 3 349.431 2.685 10 5 EFBEHN CCC1(N2CCOCC2)CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000599186659 479201533 /nfs/dbraw/zinc/20/15/33/479201533.db2.gz JAOXAYASJNUVAI-UHFFFAOYSA-N 0 3 333.432 2.984 10 5 EFBEHN CC(C)N1CCCC[C@H]1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000596303808 479246343 /nfs/dbraw/zinc/24/63/43/479246343.db2.gz CZNLWHNFYJQQEO-HNNXBMFYSA-N 0 3 333.432 2.898 10 5 EFBEHN O=[N+]([O-])c1cccc(F)c1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596424545 479289566 /nfs/dbraw/zinc/28/95/66/479289566.db2.gz RVGZYOSEEXROBN-HNNXBMFYSA-N 0 3 345.374 2.913 10 5 EFBEHN O=[N+]([O-])c1ccsc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596425528 479290393 /nfs/dbraw/zinc/29/03/93/479290393.db2.gz ZTAJRDFLTJMGJR-AWEZNQCLSA-N 0 3 333.413 2.835 10 5 EFBEHN O=[N+]([O-])c1ccc([C@H]2CCCN(CCOC3CCOCC3)C2)cc1 ZINC000599434291 479296458 /nfs/dbraw/zinc/29/64/58/479296458.db2.gz XGZLJWMKBSARBS-INIZCTEOSA-N 0 3 334.416 2.970 10 5 EFBEHN CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000596453680 479300380 /nfs/dbraw/zinc/30/03/80/479300380.db2.gz JUXCXVBZFHBSDX-HIFRSBDPSA-N 0 3 334.420 2.700 10 5 EFBEHN CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000596453681 479300861 /nfs/dbraw/zinc/30/08/61/479300861.db2.gz JUXCXVBZFHBSDX-UKRRQHHQSA-N 0 3 334.420 2.700 10 5 EFBEHN COc1ccc(OCCN2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])c1 ZINC000599553128 479330912 /nfs/dbraw/zinc/33/09/12/479330912.db2.gz OEBVEFRIBKNESO-KGLIPLIRSA-N 0 3 338.429 2.952 10 5 EFBEHN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]([C@H]3CCOC3)C1)OCCO2 ZINC000611287569 479338349 /nfs/dbraw/zinc/33/83/49/479338349.db2.gz RTBIFGDWPOXXHD-KGLIPLIRSA-N 0 3 348.399 2.615 10 5 EFBEHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000599624368 479356973 /nfs/dbraw/zinc/35/69/73/479356973.db2.gz CYJNIDFBHIFZTF-OKWUCSIUSA-N 0 3 335.404 2.632 10 5 EFBEHN O=C(Nc1cccc([N+](=O)[O-])c1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000596618888 479360237 /nfs/dbraw/zinc/36/02/37/479360237.db2.gz DMQRGZWAURPNMV-VXGBXAGGSA-N 0 3 348.277 2.517 10 5 EFBEHN COC(=O)c1cc(-c2cccc(OCCN(C)C)c2)cc([N+](=O)[O-])c1 ZINC000596637185 479366257 /nfs/dbraw/zinc/36/62/57/479366257.db2.gz SRJOESCDRUBXBF-UHFFFAOYSA-N 0 3 344.367 2.989 10 5 EFBEHN CN(C)CCOc1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000596647711 479371192 /nfs/dbraw/zinc/37/11/92/479371192.db2.gz VUYRKZOAAMGLHS-UHFFFAOYSA-N 0 3 330.384 2.737 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000599662772 479377906 /nfs/dbraw/zinc/37/79/06/479377906.db2.gz XJLWZOAQEHGAOZ-GVDBMIGSSA-N 0 3 348.399 2.637 10 5 EFBEHN CCC1(N2CCOCC2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000599670687 479382551 /nfs/dbraw/zinc/38/25/51/479382551.db2.gz YMBIMBCMMCMMPS-UHFFFAOYSA-N 0 3 333.432 2.672 10 5 EFBEHN CN1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H]1c1ccccc1 ZINC000588007910 479383276 /nfs/dbraw/zinc/38/32/76/479383276.db2.gz MKEXCIORZODVHB-FUHWJXTLSA-N 0 3 342.399 2.527 10 5 EFBEHN COc1cccc([N+](=O)[O-])c1NC1CCN(CCOC(C)C)CC1 ZINC000575024818 479390880 /nfs/dbraw/zinc/39/08/80/479390880.db2.gz VCJLVJMFCSVDFP-UHFFFAOYSA-N 0 3 337.420 2.905 10 5 EFBEHN CC[C@@]1(C)CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593615311 479402876 /nfs/dbraw/zinc/40/28/76/479402876.db2.gz MUHYYGLCIYOTQN-CVEARBPZSA-N 0 3 340.445 2.927 10 5 EFBEHN CC[C@]1(C)CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593615314 479402982 /nfs/dbraw/zinc/40/29/82/479402982.db2.gz MUHYYGLCIYOTQN-JKSUJKDBSA-N 0 3 340.445 2.927 10 5 EFBEHN COC(=O)C1C[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000599713166 479404027 /nfs/dbraw/zinc/40/40/27/479404027.db2.gz ZVGBSVAGFXJUMD-CHWSQXEVSA-N 0 3 336.388 2.636 10 5 EFBEHN Cc1ccc(CN[C@@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000593694973 479425150 /nfs/dbraw/zinc/42/51/50/479425150.db2.gz VHRSMZUCSSMVTH-OAHLLOKOSA-N 0 3 327.384 2.769 10 5 EFBEHN COCCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593694347 479425442 /nfs/dbraw/zinc/42/54/42/479425442.db2.gz YYSIJYUKKKCMSI-SOFGYWHQSA-N 0 3 333.432 2.651 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](c3ccncn3)C2)c1 ZINC000603833345 479433740 /nfs/dbraw/zinc/43/37/40/479433740.db2.gz HGGLWXBOMPBMRQ-AWEZNQCLSA-N 0 3 328.372 2.643 10 5 EFBEHN C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCN1C ZINC000599832242 479443042 /nfs/dbraw/zinc/44/30/42/479443042.db2.gz TYGBZTVHQACPKJ-VXGBXAGGSA-N 0 3 343.387 2.747 10 5 EFBEHN CCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599831701 479443530 /nfs/dbraw/zinc/44/35/30/479443530.db2.gz WXAYPVCXLTVJRS-UHFFFAOYSA-N 0 3 343.387 2.749 10 5 EFBEHN CN(CCN(C)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832867 479444335 /nfs/dbraw/zinc/44/43/35/479444335.db2.gz LPQHITNQXHEDMJ-UHFFFAOYSA-N 0 3 343.387 2.701 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C3CCOCC3)C2)c1 ZINC000589502689 479535507 /nfs/dbraw/zinc/53/55/07/479535507.db2.gz DUMJFEXLBMZQFR-HNNXBMFYSA-N 0 3 348.399 2.630 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C3CCOCC3)C2)c1 ZINC000589502691 479536223 /nfs/dbraw/zinc/53/62/23/479536223.db2.gz DUMJFEXLBMZQFR-OAHLLOKOSA-N 0 3 348.399 2.630 10 5 EFBEHN CC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCCO1 ZINC000594043872 479564114 /nfs/dbraw/zinc/56/41/14/479564114.db2.gz PBBPTLWVMOBCJY-CVEARBPZSA-N 0 3 336.388 2.899 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CNC3COCCOC3)s2)cc1 ZINC000589938161 479583746 /nfs/dbraw/zinc/58/37/46/479583746.db2.gz HKHLRHZBNBGSBF-UHFFFAOYSA-N 0 3 334.397 2.828 10 5 EFBEHN CN1C[C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000590052570 479596479 /nfs/dbraw/zinc/59/64/79/479596479.db2.gz DZTNHPSAXPJWKI-WMLDXEAASA-N 0 3 327.384 2.991 10 5 EFBEHN CC(C)c1ccc(CN2CC[C@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000597176236 479606291 /nfs/dbraw/zinc/60/62/91/479606291.db2.gz SRHBTCXOMCESFY-HNNXBMFYSA-N 0 3 329.404 2.832 10 5 EFBEHN CO[C@]1(CO)CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597186083 479611605 /nfs/dbraw/zinc/61/16/05/479611605.db2.gz BFIUHGSSGNZODE-GOSISDBHSA-N 0 3 346.383 2.828 10 5 EFBEHN CO[C@@]1(CO)CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597187541 479612148 /nfs/dbraw/zinc/61/21/48/479612148.db2.gz NONXQCOTIKJOKA-SFHVURJKSA-N 0 3 346.383 2.828 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000612576494 479697903 /nfs/dbraw/zinc/69/79/03/479697903.db2.gz PPLKMGFWBVZSCA-GOSISDBHSA-N 0 3 333.432 2.590 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCNCc2ccnn2-c2ccccc2)cc1 ZINC000619198934 479714989 /nfs/dbraw/zinc/71/49/89/479714989.db2.gz RDCPILPHEPYNMK-UHFFFAOYSA-N 0 3 338.367 2.949 10 5 EFBEHN COc1cc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c([N+](=O)[O-])cc1[O-] ZINC000610717467 480373020 /nfs/dbraw/zinc/37/30/20/480373020.db2.gz ZMXJPQSJVRQVDQ-INIZCTEOSA-N 0 3 338.404 2.994 10 5 EFBEHN COc1ccccc1C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174835970 534111950 /nfs/dbraw/zinc/11/19/50/534111950.db2.gz YJBXMZMBXRPTNX-HNNXBMFYSA-N 0 3 330.388 2.507 10 5 EFBEHN C[C@@H]1CN(CCCCNc2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000153932970 534462265 /nfs/dbraw/zinc/46/22/65/534462265.db2.gz WAQPDHAHHLGBGI-VXGBXAGGSA-N 0 3 342.827 2.945 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000179790429 524336732 /nfs/dbraw/zinc/33/67/32/524336732.db2.gz KDOVUTCLZBRITH-ZFWWWQNUSA-N 0 3 333.432 2.979 10 5 EFBEHN C[C@@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178658919 525636188 /nfs/dbraw/zinc/63/61/88/525636188.db2.gz ZMZAXBQWCCQAFZ-UKRRQHHQSA-N 0 3 329.404 2.648 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000067211381 526073491 /nfs/dbraw/zinc/07/34/91/526073491.db2.gz HOVOQVODMVRBPP-MRXNPFEDSA-N 0 3 341.411 2.806 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152364254 527373317 /nfs/dbraw/zinc/37/33/17/527373317.db2.gz LLFHFLIWIPYOGY-KRWDZBQOSA-N 0 3 329.356 2.522 10 5 EFBEHN Cn1nccc1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195503924 527600071 /nfs/dbraw/zinc/60/00/71/527600071.db2.gz BJJUTVFPPRFLAO-UHFFFAOYSA-N 0 3 330.388 2.587 10 5 EFBEHN CC[C@@H](NCCCS(=O)(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181547924 529162185 /nfs/dbraw/zinc/16/21/85/529162185.db2.gz VNVHWIMFHNJDGU-OAHLLOKOSA-N 0 3 328.434 2.849 10 5 EFBEHN CC[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000153802756 529296852 /nfs/dbraw/zinc/29/68/52/529296852.db2.gz FYXAJZKABDIOLF-OCCSQVGLSA-N 0 3 341.839 2.525 10 5 EFBEHN CC(C)Oc1cc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000412188882 534943007 /nfs/dbraw/zinc/94/30/07/534943007.db2.gz FECMGAMSYMJMDH-OAHLLOKOSA-N 0 3 347.415 2.691 10 5 EFBEHN CC(C)(C)OC(=O)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000360974344 534954150 /nfs/dbraw/zinc/95/41/50/534954150.db2.gz JEMAIIOLSCGTQJ-UHFFFAOYSA-N 0 3 346.387 2.536 10 5 EFBEHN CCO[C@@H]1C[C@H](O)C12CCN([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000265927703 535522252 /nfs/dbraw/zinc/52/22/52/535522252.db2.gz CVBNEVDPDUPCIG-XOKHGSTOSA-N 0 3 334.416 2.908 10 5 EFBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344192650 535940049 /nfs/dbraw/zinc/94/00/49/535940049.db2.gz WZYFUOPFEABFQF-MRXNPFEDSA-N 0 3 345.374 2.637 10 5 EFBEHN CC[C@@H](NC(=O)NCC1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000275398098 538125693 /nfs/dbraw/zinc/12/56/93/538125693.db2.gz DLSMTMHRFZCKLQ-OAHLLOKOSA-N 0 3 334.420 2.829 10 5 EFBEHN CN(Cc1c(Br)cccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000725263807 550198711 /nfs/dbraw/zinc/19/87/11/550198711.db2.gz KHOLPOMFJCXSBI-UHFFFAOYSA-N 0 3 342.237 2.883 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000755308788 575572889 /nfs/dbraw/zinc/57/28/89/575572889.db2.gz ASRVQPLMUBNLML-HVJHFUJKSA-N 0 3 329.400 2.551 10 5 EFBEHN O=C1C[C@@H]([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1 ZINC000761514935 576173712 /nfs/dbraw/zinc/17/37/12/576173712.db2.gz OGNVJKGWRUKKNO-OCCSQVGLSA-N 0 3 337.807 2.739 10 5 EFBEHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000765006844 576535536 /nfs/dbraw/zinc/53/55/36/576535536.db2.gz YYXAGZCMNZMRML-QAPCUYQASA-N 0 3 327.384 2.588 10 5 EFBEHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000765849331 577082514 /nfs/dbraw/zinc/08/25/14/577082514.db2.gz OLOQXTWRQXYZNK-BLLLJJGKSA-N 0 3 344.367 2.750 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3cccnc3)CC2)c1 ZINC000768752154 577298701 /nfs/dbraw/zinc/29/87/01/577298701.db2.gz FKQPZFWPYWTYQJ-GOSISDBHSA-N 0 3 327.384 2.903 10 5 EFBEHN CC(C)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000771576170 581224270 /nfs/dbraw/zinc/22/42/70/581224270.db2.gz NTABHKWZOUAEHR-NSHDSACASA-N 0 3 325.796 2.851 10 5 EFBEHN Cc1c([C@H](C)NCC[S@](=O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000850490541 1250501930 /nfs/dbraw/zinc/50/19/30/1250501930.db2.gz CVSAAGRVHPXVAJ-MGUXCZDKSA-N 0 3 338.351 2.865 10 5 EFBEHN COc1ccc(CNC[C@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922458434 1266075170 /nfs/dbraw/zinc/07/51/70/1266075170.db2.gz PHRVQMVTRBKAPJ-ZWNOBZJWSA-N 0 3 334.294 2.803 10 5 EFBEHN O=[N+]([O-])c1cnc(NC2CCN(C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000736285143 1267567973 /nfs/dbraw/zinc/56/79/73/1267567973.db2.gz HJHHFJCACHXEEI-CYBMUJFWSA-N 0 3 340.811 2.699 10 5 EFBEHN O=[N+]([O-])c1ccc(CN(CCO)C2CCSCC2)cc1Cl ZINC000825133252 1278423862 /nfs/dbraw/zinc/42/38/62/1278423862.db2.gz AQPMDSGACZTYOI-UHFFFAOYSA-N 0 3 330.837 2.938 10 5 EFBEHN CCOc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000819025365 1276594743 /nfs/dbraw/zinc/59/47/43/1276594743.db2.gz OKZPNTZFRJEKGF-MRXNPFEDSA-N 0 3 334.347 2.956 10 5 EFBEHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000871763652 1287275173 /nfs/dbraw/zinc/27/51/73/1287275173.db2.gz NDNNXXTVCCZHCY-KGLIPLIRSA-N 0 3 338.795 2.949 10 5 EFBEHN CC(C)n1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845875685 1279902348 /nfs/dbraw/zinc/90/23/48/1279902348.db2.gz BDWBXYJDGJOZIM-QMTHXVAHSA-N 0 3 336.323 2.561 10 5 EFBEHN CC(C)n1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845875683 1279902400 /nfs/dbraw/zinc/90/24/00/1279902400.db2.gz BDWBXYJDGJOZIM-HZMBPMFUSA-N 0 3 336.323 2.561 10 5 EFBEHN CC([C@H](OC(=O)[C@@H](C)c1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845875766 1279902615 /nfs/dbraw/zinc/90/26/15/1279902615.db2.gz CCADGYWLQUIBAF-PGUXBMHVSA-N 0 3 335.335 2.612 10 5 EFBEHN CC([C@@H](OC(=O)CCOCC1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881134 1279904809 /nfs/dbraw/zinc/90/48/09/1279904809.db2.gz YDWJDMXQXXIZMM-MEDUHNTESA-N 0 3 325.336 2.892 10 5 EFBEHN CC(C)(C)OC(=O)CCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323241 1287401811 /nfs/dbraw/zinc/40/18/11/1287401811.db2.gz JSNULTGSYKMECR-QGZVFWFLSA-N 0 3 338.404 2.514 10 5 EFBEHN C[C@@H](NC1CCN(C(=O)C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021166 1287402710 /nfs/dbraw/zinc/40/27/10/1287402710.db2.gz NTAKYVOHUHURMK-LLVKDONJSA-N 0 3 335.379 2.786 10 5 EFBEHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000810761699 1283606473 /nfs/dbraw/zinc/60/64/73/1283606473.db2.gz POTDBEORCRJURM-MRXNPFEDSA-N 0 3 349.366 2.622 10 5 EFBEHN Cc1ccccc1[C@H](CO)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC001176177191 1287728702 /nfs/dbraw/zinc/72/87/02/1287728702.db2.gz UATIBJWJNDHDJR-SFHVURJKSA-N 0 3 330.384 2.947 10 5 EFBEHN CC(COC(=O)C1(c2cc(F)cc(Br)c2)CC1)[N+](=O)[O-] ZINC000813105503 1285645381 /nfs/dbraw/zinc/64/53/81/1285645381.db2.gz NIWYICBBZPPAPH-QMMMGPOBSA-N 0 3 346.152 2.828 10 5 EFBEHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102057 1285652175 /nfs/dbraw/zinc/65/21/75/1285652175.db2.gz AIZTXCRSBXNKKB-VIFPVBQESA-N 0 3 328.346 2.919 10 5 EFBEHN CCCCc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813102539 1285655255 /nfs/dbraw/zinc/65/52/55/1285655255.db2.gz RMEXHONTSJOGRE-DZGCQCFKSA-N 0 3 348.399 2.591 10 5 EFBEHN CC(COC(=O)CCCc1ccccc1Br)[N+](=O)[O-] ZINC000813106962 1285677504 /nfs/dbraw/zinc/67/75/04/1285677504.db2.gz IZOYIGRWHSIDLA-SNVBAGLBSA-N 0 3 330.178 2.980 10 5 EFBEHN CC(COC(=O)c1csc(COc2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000813110272 1285682934 /nfs/dbraw/zinc/68/29/34/1285682934.db2.gz WFEZTKLAAZAUQO-SECBINFHSA-N 0 3 340.332 2.683 10 5 EFBEHN CC(COC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)[N+](=O)[O-] ZINC000813110549 1285683146 /nfs/dbraw/zinc/68/31/46/1285683146.db2.gz DDMMVCNOSUCRIG-VIFPVBQESA-N 0 3 343.261 2.713 10 5 EFBEHN CC(COC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)[N+](=O)[O-] ZINC000813110770 1285683229 /nfs/dbraw/zinc/68/32/29/1285683229.db2.gz IYCLRJOFGXOVOF-LURJTMIESA-N 0 3 341.213 2.711 10 5 EFBEHN CCCOc1c(Cl)cc(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813113668 1285683880 /nfs/dbraw/zinc/68/38/80/1285683880.db2.gz HRTFHZLSLIPRFU-SECBINFHSA-N 0 3 331.752 2.959 10 5 EFBEHN CC(COC(=O)C1(c2cccc(Br)c2)CC1)[N+](=O)[O-] ZINC000813112978 1285683984 /nfs/dbraw/zinc/68/39/84/1285683984.db2.gz MYRXLHRFCKWBHV-VIFPVBQESA-N 0 3 328.162 2.689 10 5 EFBEHN Cc1ccc(/C=C\C(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000813113650 1285684652 /nfs/dbraw/zinc/68/46/52/1285684652.db2.gz SBOVTCGPUVLWKS-WWQCOOJYSA-N 0 3 328.162 2.979 10 5 EFBEHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1cccc(F)c1 ZINC000813111596 1285684662 /nfs/dbraw/zinc/68/46/62/1285684662.db2.gz VLJBNTQHGKLFGC-NSHDSACASA-N 0 3 335.335 2.786 10 5 EFBEHN CC(COC(=O)C1(c2cccc(Cl)c2)CCOCC1)[N+](=O)[O-] ZINC000813114315 1285685833 /nfs/dbraw/zinc/68/58/33/1285685833.db2.gz PMWPWPAKWVHQEQ-NSHDSACASA-N 0 3 327.764 2.597 10 5 EFBEHN CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C(C)(C)C1 ZINC001178860582 1288967865 /nfs/dbraw/zinc/96/78/65/1288967865.db2.gz FTMQGCVKUPYZHT-MRXNPFEDSA-N 0 3 349.431 2.842 10 5 EFBEHN C[C@H](N[C@@H]1CCC[C@]12CCCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000880505813 1292520459 /nfs/dbraw/zinc/52/04/59/1292520459.db2.gz GAPBIYRJERYUNQ-MJEQTWJJSA-N 0 3 333.388 2.613 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CCC[C@]23CCCO3)c1 ZINC000880504749 1292521176 /nfs/dbraw/zinc/52/11/76/1292521176.db2.gz ZBIQTFCHJYSMNZ-WBVHZDCISA-N 0 3 334.372 2.573 10 5 EFBEHN C[C@@H](N[C@@H]1CCC[C@]12CCCO2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880515007 1292526356 /nfs/dbraw/zinc/52/63/56/1292526356.db2.gz ICBXDJIEKCXSAY-VMGRFDJRSA-N 0 3 333.388 2.613 10 5 EFBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001194262295 1293574274 /nfs/dbraw/zinc/57/42/74/1293574274.db2.gz MAMPPSNECPOAPR-AEFFLSMTSA-N 0 3 334.416 2.797 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CC(=O)N(CC2CC2)C1 ZINC000883402797 1293580417 /nfs/dbraw/zinc/58/04/17/1293580417.db2.gz AEZQFUJHMQMRIE-UDYBNVKDSA-N 0 3 329.400 2.599 10 5 EFBEHN CC1(C)CO[C@@H](CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000886306956 1294837018 /nfs/dbraw/zinc/83/70/18/1294837018.db2.gz FMAFDYPUHSLIOW-ZDUSSCGKSA-N 0 3 336.388 2.661 10 5 EFBEHN COc1cc(CNCC[C@@H]2CC(C)(C)CO2)c([N+](=O)[O-])cc1OC ZINC000886307089 1294837406 /nfs/dbraw/zinc/83/74/06/1294837406.db2.gz JHELVOXWWJFHDD-CYBMUJFWSA-N 0 3 338.404 2.907 10 5 EFBEHN Cc1ccoc1CC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001490246336 1298674123 /nfs/dbraw/zinc/67/41/23/1298674123.db2.gz KJFHVVNDKTYUGL-UHFFFAOYSA-N 0 3 345.399 2.677 10 5 EFBEHN CCN(CCCNC(=O)c1ccn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001490324443 1298768842 /nfs/dbraw/zinc/76/88/42/1298768842.db2.gz XPJLGOQKGZKULH-UHFFFAOYSA-N 0 3 344.415 2.575 10 5 EFBEHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000852351702 1299673229 /nfs/dbraw/zinc/67/32/29/1299673229.db2.gz SKVUJEKLYXOLTR-DFBGVHRSSA-N 0 3 342.823 2.904 10 5 EFBEHN C[C@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000852358830 1299673706 /nfs/dbraw/zinc/67/37/06/1299673706.db2.gz DLTOFWPGQZIVPO-WFASDCNBSA-N 0 3 334.420 2.828 10 5 EFBEHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(c3cccnc3)CC2)cc1 ZINC000776599374 1299706325 /nfs/dbraw/zinc/70/63/25/1299706325.db2.gz YJBMBNNHGBCLLK-SFHVURJKSA-N 0 3 327.384 2.903 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000853748269 1300257014 /nfs/dbraw/zinc/25/70/14/1300257014.db2.gz KRTUIXORDDNXOZ-CYBMUJFWSA-N 0 3 348.403 2.836 10 5 EFBEHN C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccns1 ZINC000860057557 1301686874 /nfs/dbraw/zinc/68/68/74/1301686874.db2.gz VFMSAQQZRIOITE-JTQLQIEISA-N 0 3 348.384 2.700 10 5 EFBEHN CCN(C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000861892558 1302233302 /nfs/dbraw/zinc/23/33/02/1302233302.db2.gz KBIPQJDXFXGVER-BUHFOSPRSA-N 0 3 331.416 2.941 10 5 EFBEHN CCN(C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000861892559 1302233546 /nfs/dbraw/zinc/23/35/46/1302233546.db2.gz KBIPQJDXFXGVER-YPKPFQOOSA-N 0 3 331.416 2.941 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000865693861 1303368367 /nfs/dbraw/zinc/36/83/67/1303368367.db2.gz RJNKDXXKDBZDAY-GRPXYMBPSA-N 0 3 340.326 2.709 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cc2n(n1)CCN(C)C2 ZINC000865844467 1303425414 /nfs/dbraw/zinc/42/54/14/1303425414.db2.gz CDKZPUKHOIGSNM-JYRVWZFOSA-N 0 3 327.388 2.752 10 5 EFBEHN CC1(C)[C@H](N)c2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000867991007 1304063350 /nfs/dbraw/zinc/06/33/50/1304063350.db2.gz IXQXDZQNGIZQEZ-QGZVFWFLSA-N 0 3 325.368 2.963 10 5 EFBEHN CC1(C)[C@H](N)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000867991296 1304064977 /nfs/dbraw/zinc/06/49/77/1304064977.db2.gz NQBYZVYMXZEBGX-QGZVFWFLSA-N 0 3 325.368 2.963 10 5 EFBEHN CC([C@H](OC(=O)[C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000870453634 1305330068 /nfs/dbraw/zinc/33/00/68/1305330068.db2.gz BMCMXIJNXHTKDA-LIIPTPMRSA-N 0 3 325.336 2.889 10 5 EFBEHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC000871151089 1305837827 /nfs/dbraw/zinc/83/78/27/1305837827.db2.gz XOURJUGCFVUYGC-UHFFFAOYSA-N 0 3 325.796 2.805 10 5 EFBEHN C[C@@H](C(=O)N1CCN(C)C(C)(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000871156277 1305850302 /nfs/dbraw/zinc/85/03/02/1305850302.db2.gz VADMHSYKYKSSOZ-GFCCVEGCSA-N 0 3 337.395 2.780 10 5 EFBEHN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CCC1(C)C ZINC000871158091 1305853884 /nfs/dbraw/zinc/85/38/84/1305853884.db2.gz NMDWDLUEOWPRJM-UHFFFAOYSA-N 0 3 325.796 2.805 10 5 EFBEHN CC/C=C(\C)C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001264386080 1316610529 /nfs/dbraw/zinc/61/05/29/1316610529.db2.gz VVIBZUIKXCHEAY-NYCXAXSBSA-N 0 3 331.416 2.936 10 5 EFBEHN CCN(CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1cccc([N+](=O)[O-])c1 ZINC001265129628 1316729756 /nfs/dbraw/zinc/72/97/56/1316729756.db2.gz RATLTPGQVXPJSG-FVQHAEBGSA-N 0 3 345.443 2.969 10 5 EFBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)C1CCCC1 ZINC001280464515 1317574173 /nfs/dbraw/zinc/57/41/73/1317574173.db2.gz UEKNSZNIEWJQPH-UHFFFAOYSA-N 0 3 331.416 2.914 10 5 EFBEHN CCC1(C(=O)NCC2(NCc3cccc([N+](=O)[O-])c3)CCC2)CC1 ZINC001280502240 1317592160 /nfs/dbraw/zinc/59/21/60/1317592160.db2.gz HKBDKESCJUVJDH-UHFFFAOYSA-N 0 3 331.416 2.914 10 5 EFBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)C1(CF)CCC1 ZINC001280505310 1317593239 /nfs/dbraw/zinc/59/32/39/1317593239.db2.gz KKRZNPYXQBQDDQ-UHFFFAOYSA-N 0 3 349.406 2.863 10 5 EFBEHN CCC1(C(=O)NC[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001316637309 1320739197 /nfs/dbraw/zinc/73/91/97/1320739197.db2.gz KCVWLRBLAUGOPC-CTYIDZIISA-N 0 3 331.416 2.769 10 5 EFBEHN CN(C)C1(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC001295670349 1322746896 /nfs/dbraw/zinc/74/68/96/1322746896.db2.gz MEDQJWVRZOSAKN-UHFFFAOYSA-N 0 3 339.823 2.781 10 5 EFBEHN CC[C@@H]1CN(C)c2ccccc2CN1CCn1c(C)ncc1[N+](=O)[O-] ZINC001307525068 1324770248 /nfs/dbraw/zinc/77/02/48/1324770248.db2.gz SWCMHKWDDBFWNL-MRXNPFEDSA-N 0 3 343.431 2.830 10 5 EFBEHN CC[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCOC1 ZINC001308028671 1324789775 /nfs/dbraw/zinc/78/97/75/1324789775.db2.gz GAPPUBYZESYEBC-ZFWWWQNUSA-N 0 3 346.387 2.940 10 5 EFBEHN CN(CCCNC(=O)C1(C(F)F)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001316824124 1325086816 /nfs/dbraw/zinc/08/68/16/1325086816.db2.gz FVPYUQOPZZAUKW-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN CC(F)(F)CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001317115520 1325585983 /nfs/dbraw/zinc/58/59/83/1325585983.db2.gz QUHSYVDRVFAJKE-BETUJISGSA-N 0 3 341.358 2.767 10 5 EFBEHN Cc1cc(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)co1 ZINC001321042276 1329335608 /nfs/dbraw/zinc/33/56/08/1329335608.db2.gz RXVKLAJXPPGUML-NSCUHMNNSA-N 0 3 329.356 2.572 10 5 EFBEHN Cc1ccc(CC(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)cc1 ZINC001317607031 1328187482 /nfs/dbraw/zinc/18/74/82/1328187482.db2.gz CAHMGRRAHSXIKP-UHFFFAOYSA-N 0 3 341.411 2.694 10 5 EFBEHN C[C@H]1COCC[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001335941887 1331418831 /nfs/dbraw/zinc/41/88/31/1331418831.db2.gz KTRCKGVLAGKJKN-CABZTGNLSA-N 0 3 329.194 2.872 10 5 EFBEHN CNc1ccc(C(=O)N2CCN(C3CCCC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001350603227 1333102469 /nfs/dbraw/zinc/10/24/69/1333102469.db2.gz PLEFFZCZDBAUBD-ZDUSSCGKSA-N 0 3 346.431 2.725 10 5 EFBEHN CC(C)[C@H]1CCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481970 1334738313 /nfs/dbraw/zinc/73/83/13/1334738313.db2.gz IVUAJHLYBZMSCH-DOTOQJQBSA-N 0 3 331.416 2.846 10 5 EFBEHN CC(C)[C@@H]1CCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481971 1334738556 /nfs/dbraw/zinc/73/85/56/1334738556.db2.gz IVUAJHLYBZMSCH-NVXWUHKLSA-N 0 3 331.416 2.846 10 5 EFBEHN CC[C@@H]1[C@H](C)CCN1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483894 1334740839 /nfs/dbraw/zinc/74/08/39/1334740839.db2.gz AWRBDYOZZYYZMW-XOKHGSTOSA-N 0 3 331.416 2.989 10 5 EFBEHN CC1(C)C[C@H](NC[C@H]2CN(C3CC3)C(=O)O2)c2cc([N+](=O)[O-])ccc21 ZINC000848569308 1334798827 /nfs/dbraw/zinc/79/88/27/1334798827.db2.gz DGBNRUXPLGQHAP-BBRMVZONSA-N 0 3 345.399 2.890 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN1CCC(C)(C)C1 ZINC001440030859 1389382532 /nfs/dbraw/zinc/38/25/32/1389382532.db2.gz BIWUTKSLGPZHHZ-UHFFFAOYSA-N 0 3 333.432 2.982 10 5 EFBEHN O=[N+]([O-])c1cccnc1N1CCN(c2ccnc3ccccc32)CC1 ZINC001458470193 1395475469 /nfs/dbraw/zinc/47/54/69/1395475469.db2.gz SAKKERKPUJVICS-UHFFFAOYSA-N 0 3 335.367 2.865 10 5 EFBEHN COCCN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C)c(C)c1 ZINC001460783425 1396256526 /nfs/dbraw/zinc/25/65/26/1396256526.db2.gz AIJRYEITZGEPDW-UHFFFAOYSA-N 0 3 346.431 2.865 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNCC1(C2(O)CCC2)CCC1 ZINC001473786447 1397331897 /nfs/dbraw/zinc/33/18/97/1397331897.db2.gz CFFIRMRGQQDSCN-UHFFFAOYSA-N 0 3 347.415 2.517 10 5 EFBEHN CCN(CCCNC(=O)c1[nH]ccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001479841821 1397940432 /nfs/dbraw/zinc/94/04/32/1397940432.db2.gz IIILUDGRSMATBF-UHFFFAOYSA-N 0 3 344.415 2.873 10 5 EFBEHN Cc1cccc(CC(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001493679276 1398802474 /nfs/dbraw/zinc/80/24/74/1398802474.db2.gz PLEUCGHWLMUJRS-UHFFFAOYSA-N 0 3 341.411 2.694 10 5 EFBEHN O=C(NCC1(NCc2ccccc2[N+](=O)[O-])CCCC1)C1CCC1 ZINC001495887984 1400333440 /nfs/dbraw/zinc/33/34/40/1400333440.db2.gz QSTBJVZDIFUNJT-UHFFFAOYSA-N 0 3 331.416 2.914 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1CC2(CC2)C1 ZINC001497452707 1401385208 /nfs/dbraw/zinc/38/52/08/1401385208.db2.gz KWZXPWAVLHPGMZ-UHFFFAOYSA-N 0 3 331.416 2.723 10 5 EFBEHN CCN1CCN(c2ccc(Nc3c([N+](=O)[O-])cnn3C)c(C)c2)CC1 ZINC001559049868 1415221373 /nfs/dbraw/zinc/22/13/73/1415221373.db2.gz ZHGUCGNWHNYQKK-UHFFFAOYSA-N 0 3 344.419 2.522 10 5 EFBEHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@]1(CO)c1ccccc1 ZINC001560231482 1415269922 /nfs/dbraw/zinc/26/99/22/1415269922.db2.gz UTMNUCKXFLGXQI-LJQANCHMSA-N 0 3 342.395 2.957 10 5 EFBEHN CC[C@@H](NC(=O)NC[C@@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC001564376602 1415376190 /nfs/dbraw/zinc/37/61/90/1415376190.db2.gz OHYQCDOWORCCHT-JKSUJKDBSA-N 0 3 334.420 2.829 10 5 EFBEHN Cc1cc(CN(C)C)cc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001566423997 1415545908 /nfs/dbraw/zinc/54/59/08/1415545908.db2.gz CNPDKTLXSPMGFE-UHFFFAOYSA-N 0 3 328.372 2.921 10 5 EFBEHN CCN(CCCNC(=O)c1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC001566538302 1415625386 /nfs/dbraw/zinc/62/53/86/1415625386.db2.gz WRPQMZLJRKLXMU-UHFFFAOYSA-N 0 3 342.399 2.632 10 5 EFBEHN CCN(CCCNC(=O)c1cc(C)no1)Cc1cccc([N+](=O)[O-])c1 ZINC001566540221 1415626866 /nfs/dbraw/zinc/62/68/66/1415626866.db2.gz CVMLAYOAQPWNTQ-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN Cc1cc(F)ccc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001567592992 1416201900 /nfs/dbraw/zinc/20/19/00/1416201900.db2.gz MCAARAZKFDXSKO-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN Cc1coc(C)c1C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001716289956 1418753741 /nfs/dbraw/zinc/75/37/41/1418753741.db2.gz NUWSDIFYRMDQKK-ARJAWSKDSA-N 0 3 343.383 2.880 10 5 EFBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)/C=C\c1ccc[nH]1 ZINC001716539569 1418906792 /nfs/dbraw/zinc/90/67/92/1418906792.db2.gz HUHNYJAVBVEWHN-WAYWQWQTSA-N 0 3 348.428 2.636 10 5 EFBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)/C=C/c1ccc[nH]1 ZINC001716539568 1418906977 /nfs/dbraw/zinc/90/69/77/1418906977.db2.gz HUHNYJAVBVEWHN-AATRIKPKSA-N 0 3 348.428 2.636 10 5 EFBEHN CN(CCCN(C)C(=O)C1CC=CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001717205921 1419265942 /nfs/dbraw/zinc/26/59/42/1419265942.db2.gz YYEZUVVNWKYCFI-UHFFFAOYSA-N 0 3 331.416 2.841 10 5 EFBEHN CC/C=C(/C)C(=O)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC001717636895 1419482434 /nfs/dbraw/zinc/48/24/34/1419482434.db2.gz HJHFHKRIKQQYPJ-KRQWNERDSA-N 0 3 337.445 2.997 10 5 EFBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)C1CC2(CC2)C1 ZINC001724792980 1425015517 /nfs/dbraw/zinc/01/55/17/1425015517.db2.gz DYXDXXYJOWJSKH-UHFFFAOYSA-N 0 3 343.427 2.914 10 5 EFBEHN CN(CCCN(C)C(=O)c1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC001724841181 1425055701 /nfs/dbraw/zinc/05/57/01/1425055701.db2.gz RLYWYHJNOIRZEN-UHFFFAOYSA-N 0 3 342.399 2.584 10 5 EFBEHN CN(CCCN(C)C(=O)C1CC=CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001724847159 1425064352 /nfs/dbraw/zinc/06/43/52/1425064352.db2.gz MMTVOJTZJLLILC-UHFFFAOYSA-N 0 3 331.416 2.841 10 5 EFBEHN C[C@@H]1[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000928434949 722862719 /nfs/dbraw/zinc/86/27/19/722862719.db2.gz FQVVRWWUUVCLCC-MWLCHTKSSA-N 0 3 343.836 2.549 10 5 EFBEHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928438759 722871800 /nfs/dbraw/zinc/87/18/00/722871800.db2.gz MPACFWRWIXDRHU-BXUZGUMPSA-N 0 3 337.445 2.918 10 5 EFBEHN O=C1N(CN2C[C@@H]3CCCC[C@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154781080 728907937 /nfs/dbraw/zinc/90/79/37/728907937.db2.gz SQFOFIZFMJRZMT-GJZGRUSLSA-N 0 3 344.415 2.916 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@H]2CCCCN21 ZINC000908282774 727150523 /nfs/dbraw/zinc/15/05/23/727150523.db2.gz VWWHCHVGOFIEAN-IUODEOHRSA-N 0 3 333.388 2.949 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916053727 727652609 /nfs/dbraw/zinc/65/26/09/727652609.db2.gz DRIVTMWYAQOKDW-LLVKDONJSA-N 0 3 325.796 2.852 10 5 EFBEHN CCN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C)C1 ZINC000912308345 727693520 /nfs/dbraw/zinc/69/35/20/727693520.db2.gz XKRUBHZMVCRABI-CQSZACIVSA-N 0 3 339.823 2.733 10 5 EFBEHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384700 727830436 /nfs/dbraw/zinc/83/04/36/727830436.db2.gz CEEKFXSSWSQICU-AOOOYVTPSA-N 0 3 343.786 2.876 10 5 EFBEHN CCCN1CCC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385553 727830910 /nfs/dbraw/zinc/83/09/10/727830910.db2.gz ABSGLENHJYBSBZ-LBPRGKRZSA-N 0 3 343.786 2.878 10 5 EFBEHN COc1ccc(C[C@@H]2CCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001167635572 1093169069 /nfs/dbraw/zinc/16/90/69/1093169069.db2.gz NDLLNUSIZKKDHB-LPHOPBHVSA-N 0 3 342.395 2.954 10 5 EFBEHN CC(C)Oc1ccc([C@@H](CNc2nn(C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC001651111635 1093528032 /nfs/dbraw/zinc/52/80/32/1093528032.db2.gz QXVDFTQKWCYUHQ-OAHLLOKOSA-N 0 3 347.419 2.830 10 5 EFBEHN Cc1c(F)cccc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001267375327 1094362229 /nfs/dbraw/zinc/36/22/29/1094362229.db2.gz DUNVJLYTLJYLPY-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCc1ccsc1 ZINC001267384309 1094442264 /nfs/dbraw/zinc/44/22/64/1094442264.db2.gz QFGMMQUEKVDDAC-UHFFFAOYSA-N 0 3 347.440 2.837 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001268507588 1097066979 /nfs/dbraw/zinc/06/69/79/1097066979.db2.gz TXCKXXHFDAARKZ-SNAWJCMRSA-N 0 3 331.416 2.937 10 5 EFBEHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC001611391394 1099006616 /nfs/dbraw/zinc/00/66/16/1099006616.db2.gz OBZQVWCCELHXKA-HUUCEWRRSA-N 0 3 335.379 2.789 10 5 EFBEHN CC1(C)CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001617112440 1099214570 /nfs/dbraw/zinc/21/45/70/1099214570.db2.gz PHGUEQATASJIJF-UHFFFAOYSA-N 0 3 325.796 2.710 10 5 EFBEHN C[C@H](NCCC(=O)Nc1cc(N)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001620570661 1099361113 /nfs/dbraw/zinc/36/11/13/1099361113.db2.gz DDZUQZUIUMEAKH-NSHDSACASA-N 0 3 346.362 2.996 10 5 EFBEHN CN(C)Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001629839232 1100251071 /nfs/dbraw/zinc/25/10/71/1100251071.db2.gz LZHVOIVAWQLUSJ-UHFFFAOYSA-N 0 3 347.346 2.813 10 5 EFBEHN CCN1CCCC[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001633420887 1100541850 /nfs/dbraw/zinc/54/18/50/1100541850.db2.gz DBYPVVIJBOGFBC-NSHDSACASA-N 0 3 325.796 2.852 10 5 EFBEHN CO[C@@H](CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC001641506074 1101142097 /nfs/dbraw/zinc/14/20/97/1101142097.db2.gz OAKAJCDQYIMTJM-SFHVURJKSA-N 0 3 333.432 2.922 10 5 EFBEHN C[C@H]1[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2Br)CCN1C ZINC001642491278 1101216552 /nfs/dbraw/zinc/21/65/52/1101216552.db2.gz OXYAZYQCFOLQMP-QWRGUYRKSA-N 0 3 342.237 2.882 10 5 EFBEHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H]1CCCCN1CCO ZINC001655499874 1101836006 /nfs/dbraw/zinc/83/60/06/1101836006.db2.gz WTHUYNKDLXEOAL-GFCCVEGCSA-N 0 3 347.337 2.872 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CC1CC(F)(F)C1 ZINC001266749429 1102094066 /nfs/dbraw/zinc/09/40/66/1102094066.db2.gz SYTOPAUTTWGDPN-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN C/C(=C/C(=O)N1CCN(CC(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785069657 1102353726 /nfs/dbraw/zinc/35/37/26/1102353726.db2.gz ANNCDLVDYDJCEB-QINSGFPZSA-N 0 3 331.416 2.798 10 5 EFBEHN Cc1ccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001266845549 1102416491 /nfs/dbraw/zinc/41/64/91/1102416491.db2.gz CHOKZRIDKNIXPE-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN COC(=O)[C@]12CN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001659197552 1102525939 /nfs/dbraw/zinc/52/59/39/1102525939.db2.gz LJUHYVUEKBLBPK-CXAGYDPISA-N 0 3 336.363 2.899 10 5 EFBEHN CC(=O)N(CCNCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001271789440 1102684972 /nfs/dbraw/zinc/68/49/72/1102684972.db2.gz FKKMJDLODOBPDD-UHFFFAOYSA-N 0 3 327.384 2.733 10 5 EFBEHN CCN(CCCNC(=O)c1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001660482690 1102789545 /nfs/dbraw/zinc/78/95/45/1102789545.db2.gz VQUUTNFDSFKVQB-UHFFFAOYSA-N 0 3 331.372 2.830 10 5 EFBEHN CCCCC(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001271832644 1102852528 /nfs/dbraw/zinc/85/25/28/1102852528.db2.gz UFPVCXRIXZVIAZ-IYBDPMFKSA-N 0 3 331.416 2.675 10 5 EFBEHN Cn1cncc1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001660672328 1102922416 /nfs/dbraw/zinc/92/24/16/1102922416.db2.gz REGNBAAMSIDPML-UHFFFAOYSA-N 0 3 330.388 2.587 10 5 EFBEHN CC(C)(C)/C=C\C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001661403940 1103255416 /nfs/dbraw/zinc/25/54/16/1103255416.db2.gz ZFLJHQNUUMWKGP-IHXCSDIZSA-N 0 3 331.416 2.934 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1sccc1F ZINC001483004797 1105523348 /nfs/dbraw/zinc/52/33/48/1105523348.db2.gz VUMJDDNOXRANSQ-UPHRSURJSA-N 0 3 349.387 2.871 10 5 EFBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)c1cc(F)c[nH]1 ZINC001673189871 1105983154 /nfs/dbraw/zinc/98/31/54/1105983154.db2.gz VNNFUZNQJQASFV-UHFFFAOYSA-N 0 3 346.362 2.504 10 5 EFBEHN CCC1(C(=O)N[C@H]2C[C@H](CNCc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001675785875 1106422857 /nfs/dbraw/zinc/42/28/57/1106422857.db2.gz MVDCRVUENJZGBK-AULYBMBSSA-N 0 3 337.445 2.831 10 5 EFBEHN O=C(CCCF)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001484580740 1113033581 /nfs/dbraw/zinc/03/35/81/1113033581.db2.gz REOLEKSTUCWHRG-UHFFFAOYSA-N 0 3 349.406 2.769 10 5 EFBEHN CC(C)C(=O)N(C)CC(C)(C)CNCc1csc([N+](=O)[O-])c1 ZINC001485245964 1118177628 /nfs/dbraw/zinc/17/76/28/1118177628.db2.gz JDXRXCOMHKBAIN-UHFFFAOYSA-N 0 3 327.450 2.887 10 5 EFBEHN O=C1COc2ccccc2N1CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000174520912 231229866 /nfs/dbraw/zinc/22/98/66/231229866.db2.gz FLSKFWLXLVNKED-UHFFFAOYSA-N 0 3 341.367 2.500 10 5 EFBEHN CN1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000189754890 529795549 /nfs/dbraw/zinc/79/55/49/529795549.db2.gz BXUSZYOKVMWFRR-ZBFHGGJFSA-N 0 3 341.371 2.557 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000067457402 215148188 /nfs/dbraw/zinc/14/81/88/215148188.db2.gz MZQCCVFWFIFHNF-GJZGRUSLSA-N 0 3 333.432 2.841 10 5 EFBEHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037042111 213131997 /nfs/dbraw/zinc/13/19/97/213131997.db2.gz FCHJYVRLKSYGKQ-HQJQHLMTSA-N 0 3 330.182 2.669 10 5 EFBEHN CN(C)CCN1C(=O)c2cccc3cc4ccc(N)cc4c(c32)C1=O ZINC000027557302 212564485 /nfs/dbraw/zinc/56/44/85/212564485.db2.gz SGGNFDSEAJVHLN-UHFFFAOYSA-N 0 3 333.391 2.733 10 5 EFBEHN CN(C)C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000172306351 239168813 /nfs/dbraw/zinc/16/88/13/239168813.db2.gz HRNMJSCVBONMBZ-MRXNPFEDSA-N 0 3 349.434 2.791 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000236775361 242354483 /nfs/dbraw/zinc/35/44/83/242354483.db2.gz TUJOSWOSMGGQLL-QGZVFWFLSA-N 0 3 342.399 2.851 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000412136982 243162334 /nfs/dbraw/zinc/16/23/34/243162334.db2.gz VQZZLWYIUKZOAZ-NKKGCODLSA-N 0 3 331.416 2.639 10 5 EFBEHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc3cncn3c2)n1 ZINC000414188228 244039985 /nfs/dbraw/zinc/03/99/85/244039985.db2.gz QHEKQOQEMNZLQK-CVEARBPZSA-N 0 3 340.387 2.713 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCC[C@H](CO)C2)c1 ZINC000414586840 244242981 /nfs/dbraw/zinc/24/29/81/244242981.db2.gz UYFFJWJUFSUXBK-CMPLNLGQSA-N 0 3 330.331 2.837 10 5 EFBEHN CC(C)c1ccc(CN2C[C@H](C)N(CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418121181 245111592 /nfs/dbraw/zinc/11/15/92/245111592.db2.gz WXWDESOBLATHEU-GJZGRUSLSA-N 0 3 335.448 2.605 10 5 EFBEHN CCc1ccccc1[C@@H](N)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423982386 246667040 /nfs/dbraw/zinc/66/70/40/246667040.db2.gz RNVGVMMTWSAZKQ-INIZCTEOSA-N 0 3 327.384 2.895 10 5 EFBEHN O=[N+]([O-])c1cc(CN[C@@H](C2CCOCC2)C2(CO)CCC2)cs1 ZINC000425368281 247060007 /nfs/dbraw/zinc/06/00/07/247060007.db2.gz DNJWMAYVQFTOKQ-HNNXBMFYSA-N 0 3 340.445 2.704 10 5 EFBEHN O=C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCN1 ZINC000093101658 218193562 /nfs/dbraw/zinc/19/35/62/218193562.db2.gz IKJUTFSWCISKFE-UHFFFAOYSA-N 0 3 331.397 2.645 10 5 EFBEHN O=[N+]([O-])c1cc(CNC2CCC(O)CC2)ccc1Br ZINC000008850657 211010376 /nfs/dbraw/zinc/01/03/76/211010376.db2.gz LGGRINDREXGFCN-UHFFFAOYSA-N 0 3 329.194 2.750 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1C ZINC000267440413 251058783 /nfs/dbraw/zinc/05/87/83/251058783.db2.gz YROUQKYSNGCHLO-WDEREUQCSA-N 0 3 325.796 2.803 10 5 EFBEHN COC(=O)Cc1ccc(NCCN2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000450257429 251319579 /nfs/dbraw/zinc/31/95/79/251319579.db2.gz LMFARWPGVLNSLS-ZDUSSCGKSA-N 0 3 335.404 2.597 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1Cn1ccnc1C ZINC000178319893 533218988 /nfs/dbraw/zinc/21/89/88/533218988.db2.gz CEFRNVSSAJAIHU-INIZCTEOSA-N 0 3 330.388 2.773 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000344844767 533385346 /nfs/dbraw/zinc/38/53/46/533385346.db2.gz CHUXRPCQKVQMEI-MWIXQPKISA-N 0 3 329.400 2.597 10 5 EFBEHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000340530493 141810350 /nfs/dbraw/zinc/81/03/50/141810350.db2.gz DHFSZSIUPDQLFC-KKBVYLPWSA-N 0 3 330.388 2.861 10 5 EFBEHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000346145107 142154864 /nfs/dbraw/zinc/15/48/64/142154864.db2.gz KIAVUBZIFYHFIW-HNNXBMFYSA-N 0 3 342.399 2.707 10 5 EFBEHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000346174818 142161042 /nfs/dbraw/zinc/16/10/42/142161042.db2.gz VKHBWGWFOQIXRT-HNNXBMFYSA-N 0 3 342.399 2.707 10 5 EFBEHN C[C@H](NC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000349692526 142348295 /nfs/dbraw/zinc/34/82/95/142348295.db2.gz JTBXTZQHLNZAGD-LRDDRELGSA-N 0 3 332.404 2.534 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000349974406 142385068 /nfs/dbraw/zinc/38/50/68/142385068.db2.gz WXDRMWRVAKSITM-MRXNPFEDSA-N 0 3 331.416 2.738 10 5 EFBEHN CC(C)c1ccc(CN[C@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000341278170 145024969 /nfs/dbraw/zinc/02/49/69/145024969.db2.gz UTRZGINPKBDZBD-WMLDXEAASA-N 0 3 338.448 2.966 10 5 EFBEHN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000342166531 145074022 /nfs/dbraw/zinc/07/40/22/145074022.db2.gz ZEARABZGGLNIJV-KRWDZBQOSA-N 0 3 341.411 2.806 10 5 EFBEHN CC(C)c1ccc(CNC[C@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000342284351 145093045 /nfs/dbraw/zinc/09/30/45/145093045.db2.gz QQAGWZCRUAWDBU-MRXNPFEDSA-N 0 3 329.400 2.979 10 5 EFBEHN CCCN1CCC[C@H]1CNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000343558893 145238070 /nfs/dbraw/zinc/23/80/70/145238070.db2.gz CULRCOOBUVLWHM-AWEZNQCLSA-N 0 3 335.404 2.598 10 5 EFBEHN CN(C[C@H]1CC=CCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344033872 145350648 /nfs/dbraw/zinc/35/06/48/145350648.db2.gz FZGXFZZNIHYTAW-YOEHRIQHSA-N 0 3 329.400 2.988 10 5 EFBEHN COC(=O)COc1ccc(CN2C[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000355730834 147046468 /nfs/dbraw/zinc/04/64/68/147046468.db2.gz PKQIXOOWHFEIOA-CHWSQXEVSA-N 0 3 336.388 2.767 10 5 EFBEHN COC(=O)COc1ccc(CN2C[C@@H](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000355766383 147056650 /nfs/dbraw/zinc/05/66/50/147056650.db2.gz DIPKHJWRZBPPJG-LBPRGKRZSA-N 0 3 336.388 2.767 10 5 EFBEHN COc1c(C(=O)N2CCCC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000355821906 147074904 /nfs/dbraw/zinc/07/49/04/147074904.db2.gz AQQRIHCWPLAACW-AWEZNQCLSA-N 0 3 347.415 2.694 10 5 EFBEHN CCOc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000356249289 147188496 /nfs/dbraw/zinc/18/84/96/147188496.db2.gz CRCSQEBQKZTCHQ-SFHVURJKSA-N 0 3 347.415 2.551 10 5 EFBEHN CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1CCN(C2CC2)C1 ZINC000356741897 147324721 /nfs/dbraw/zinc/32/47/21/147324721.db2.gz LKSDBIGDJPHVDX-GFCCVEGCSA-N 0 3 327.331 2.869 10 5 EFBEHN Cc1cc(N2CCO[C@@H](C(=O)C3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000359632175 148145810 /nfs/dbraw/zinc/14/58/10/148145810.db2.gz KOWQGLWDSZFOCK-QGZVFWFLSA-N 0 3 341.367 2.636 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)C1CCN(c2cnccn2)CC1 ZINC000369300331 150324134 /nfs/dbraw/zinc/32/41/34/150324134.db2.gz ZTIFJSIPMWGIMM-UHFFFAOYSA-N 0 3 341.415 2.794 10 5 EFBEHN Cc1ccc([C@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000374595397 151377565 /nfs/dbraw/zinc/37/75/65/151377565.db2.gz PAUMXTNNCIUCHY-INIZCTEOSA-N 0 3 339.395 2.992 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000378424528 152081739 /nfs/dbraw/zinc/08/17/39/152081739.db2.gz NALWRTOJNAZOGK-IUODEOHRSA-N 0 3 326.780 2.676 10 5 EFBEHN C[C@@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)N(C)C ZINC000357867896 286874816 /nfs/dbraw/zinc/87/48/16/286874816.db2.gz XFGSFNWOBAWWRU-KBPBESRZSA-N 0 3 348.447 2.511 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000123746295 222326095 /nfs/dbraw/zinc/32/60/95/222326095.db2.gz IEOQQJKOBVAWKI-MNOVXSKESA-N 0 3 325.796 2.803 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000187185353 265090554 /nfs/dbraw/zinc/09/05/54/265090554.db2.gz ZGLKFCSEEBZNBO-SUMWQHHRSA-N 0 3 342.399 2.719 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000194191089 265366217 /nfs/dbraw/zinc/36/62/17/265366217.db2.gz OBNQFMPSVWKMKK-HNNXBMFYSA-N 0 3 336.436 2.713 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C1CCCCC1 ZINC000194704800 265381650 /nfs/dbraw/zinc/38/16/50/265381650.db2.gz QORWNQBSBGFMGL-UHFFFAOYSA-N 0 3 334.420 2.635 10 5 EFBEHN CC[C@@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272778240 266379378 /nfs/dbraw/zinc/37/93/78/266379378.db2.gz RCILCKIAMKEGMD-CXAGYDPISA-N 0 3 346.431 2.996 10 5 EFBEHN CC[C@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272778242 266379848 /nfs/dbraw/zinc/37/98/48/266379848.db2.gz RCILCKIAMKEGMD-DYVFJYSZSA-N 0 3 346.431 2.996 10 5 EFBEHN CN1CCC[C@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273173703 266460714 /nfs/dbraw/zinc/46/07/14/266460714.db2.gz ICZBTIFNEASNMX-NSHDSACASA-N 0 3 343.836 2.551 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000276592127 267018995 /nfs/dbraw/zinc/01/89/95/267018995.db2.gz NDCZAGZGHDECQP-GFCCVEGCSA-N 0 3 325.796 2.723 10 5 EFBEHN Cc1cc(N2CCC[C@H](N[C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000277514581 267189079 /nfs/dbraw/zinc/18/90/79/267189079.db2.gz DXSDSDYZKWBKKP-HOCLYGCPSA-N 0 3 343.431 2.956 10 5 EFBEHN C[C@H](N[C@@H]1CCOC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277839747 267276220 /nfs/dbraw/zinc/27/62/20/267276220.db2.gz LXHIKNXEGUPPHP-GBIKHYSHSA-N 0 3 341.795 2.590 10 5 EFBEHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000271117779 273098992 /nfs/dbraw/zinc/09/89/92/273098992.db2.gz WWMYQBVGPLHLNL-ZDUSSCGKSA-N 0 3 330.340 2.850 10 5 EFBEHN CCNC(=O)N1CC[C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279010560 273166253 /nfs/dbraw/zinc/16/62/53/273166253.db2.gz GXIOMGZUJZVCDB-BLLLJJGKSA-N 0 3 346.431 2.711 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000280280983 273310885 /nfs/dbraw/zinc/31/08/85/273310885.db2.gz DOOBRRSRHLHYGK-OLZOCXBDSA-N 0 3 335.404 2.548 10 5 EFBEHN CCO[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCC2 ZINC000282497369 273571413 /nfs/dbraw/zinc/57/14/13/273571413.db2.gz XXLWNNIJVXWYSP-GJZGRUSLSA-N 0 3 330.388 2.908 10 5 EFBEHN C[C@H](CN1CCCCC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000285960402 274107494 /nfs/dbraw/zinc/10/74/94/274107494.db2.gz AMPXGIRLJZXGND-LLVKDONJSA-N 0 3 331.376 2.530 10 5 EFBEHN O=[N+]([O-])c1cc(Br)ccc1N1CCN2CCC[C@H]2C1 ZINC000245386480 275032863 /nfs/dbraw/zinc/03/28/63/275032863.db2.gz NUWMFULANRMEBW-NSHDSACASA-N 0 3 326.194 2.642 10 5 EFBEHN CC(C)c1ccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000245776747 276053275 /nfs/dbraw/zinc/05/32/75/276053275.db2.gz SUIDUBCXRVWDFZ-DNVCBOLYSA-N 0 3 347.459 2.871 10 5 EFBEHN CCc1nc2n(n1)C[C@H](N[C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192984019 276695796 /nfs/dbraw/zinc/69/57/96/276695796.db2.gz HUHIMDVDZKNTAN-CJNGLKHVSA-N 0 3 341.415 2.731 10 5 EFBEHN COc1ccc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000291207273 294310188 /nfs/dbraw/zinc/31/01/88/294310188.db2.gz GSKHENSANLVGHG-INIZCTEOSA-N 0 3 339.367 2.754 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000294351725 295152041 /nfs/dbraw/zinc/15/20/41/295152041.db2.gz YMJGCXCMNZSEOV-QZEGLACASA-N 0 3 343.427 2.942 10 5 EFBEHN C[C@@H]1C[C@@H]1N1C[C@@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000358172142 297307621 /nfs/dbraw/zinc/30/76/21/297307621.db2.gz IEUCMCVHFWYPAA-UOUZQGKXSA-N 0 3 343.427 2.515 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000298740988 311019386 /nfs/dbraw/zinc/01/93/86/311019386.db2.gz JQHRIVYOBKQYSJ-CZUORRHYSA-N 0 3 331.416 2.894 10 5 EFBEHN Cc1sc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000299000001 311040757 /nfs/dbraw/zinc/04/07/57/311040757.db2.gz QAMBDICMJPWUIY-AWEZNQCLSA-N 0 3 347.440 2.867 10 5 EFBEHN COC(=O)c1cc(NCCN2CCC[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000301688401 311152153 /nfs/dbraw/zinc/15/21/53/311152153.db2.gz MOYSEGLBISTLAW-GFCCVEGCSA-N 0 3 335.404 2.834 10 5 EFBEHN CCN1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301703432 311153618 /nfs/dbraw/zinc/15/36/18/311153618.db2.gz UPNFTAIGQNVCBK-CQSZACIVSA-N 0 3 335.404 2.976 10 5 EFBEHN Cc1cc(N2CC[C@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000301814924 311159921 /nfs/dbraw/zinc/15/99/21/311159921.db2.gz INBJEYGTLWJINZ-KRWDZBQOSA-N 0 3 333.432 2.984 10 5 EFBEHN N[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000414842992 312057586 /nfs/dbraw/zinc/05/75/86/312057586.db2.gz ZZHKXFDLYGUYSQ-CQSZACIVSA-N 0 3 337.326 2.986 10 5 EFBEHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1N[C@@H]1CNCCC1(F)F ZINC000414997140 312073877 /nfs/dbraw/zinc/07/38/77/312073877.db2.gz HFDHAIOEUBIACW-JGGQBBKZSA-N 0 3 339.386 2.893 10 5 EFBEHN CCNC(=O)N1CC[C@@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304593 312206544 /nfs/dbraw/zinc/20/65/44/312206544.db2.gz CESMBUZBTZKGQI-RHSMWYFYSA-N 0 3 346.431 2.756 10 5 EFBEHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000417818189 312274831 /nfs/dbraw/zinc/27/48/31/312274831.db2.gz AQNDBILGRQCIAR-CZUORRHYSA-N 0 3 342.399 2.963 10 5 EFBEHN C[C@@H](NC[C@H]1CS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453236824 312883072 /nfs/dbraw/zinc/88/30/72/312883072.db2.gz OHRDFLQXNMRVRF-OCCSQVGLSA-N 0 3 346.408 2.817 10 5 EFBEHN C[C@@H](NC[C@@H]1CS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453239372 312884257 /nfs/dbraw/zinc/88/42/57/312884257.db2.gz UCSKRAWVGRGRFJ-TZMCWYRMSA-N 0 3 346.408 2.817 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458194996 313082511 /nfs/dbraw/zinc/08/25/11/313082511.db2.gz BQBTZIQUCBBHTN-UHFFFAOYSA-N 0 3 348.428 2.564 10 5 EFBEHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531887887 317328227 /nfs/dbraw/zinc/32/82/27/317328227.db2.gz BCBRBAQCBUACFN-QGZVFWFLSA-N 0 3 340.383 2.557 10 5 EFBEHN CN(CCC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000554070665 318300129 /nfs/dbraw/zinc/30/01/29/318300129.db2.gz WYFXRBKAOPJGLZ-UHFFFAOYSA-N 0 3 342.399 2.868 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccccc2[C@H]1CN ZINC000565895596 319012958 /nfs/dbraw/zinc/01/29/58/319012958.db2.gz VJVLJDSEXUCUNZ-QGZVFWFLSA-N 0 3 325.368 2.602 10 5 EFBEHN O=[N+]([O-])c1cc2c(nc1N1CC[C@@H](N3CCCCC3)C1)CCCC2 ZINC000565947674 319017203 /nfs/dbraw/zinc/01/72/03/319017203.db2.gz ZQIVVLLYNWURJB-OAHLLOKOSA-N 0 3 330.432 2.933 10 5 EFBEHN C[C@@](O)(CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000566129071 319037016 /nfs/dbraw/zinc/03/70/16/319037016.db2.gz VFMRYNGPJMKTTR-CYBMUJFWSA-N 0 3 331.294 2.522 10 5 EFBEHN C[C@@H]1Cc2ccccc2[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569110487 319349313 /nfs/dbraw/zinc/34/93/13/319349313.db2.gz GQVJTLOPINNRDZ-MUKKUYKPSA-N 0 3 342.395 2.858 10 5 EFBEHN C[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000570956518 319529458 /nfs/dbraw/zinc/52/94/58/319529458.db2.gz SFZQWQDOEMUGJY-ZIAGYGMSSA-N 0 3 340.445 2.927 10 5 EFBEHN NC(=O)c1csc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000578095146 320172593 /nfs/dbraw/zinc/17/25/93/320172593.db2.gz CESBOBZRAWUMSZ-UHFFFAOYSA-N 0 3 344.396 2.569 10 5 EFBEHN CCC(CC)Nc1ccncc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000578176294 320180685 /nfs/dbraw/zinc/18/06/85/320180685.db2.gz ALUJMZXYZOVASB-UHFFFAOYSA-N 0 3 343.387 2.968 10 5 EFBEHN CCC(CC)Nc1cc[nH+]cc1[N-]C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000578176294 320180687 /nfs/dbraw/zinc/18/06/87/320180687.db2.gz ALUJMZXYZOVASB-UHFFFAOYSA-N 0 3 343.387 2.968 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184452570 323364581 /nfs/dbraw/zinc/36/45/81/323364581.db2.gz XQUQRSMVSKSSMT-JSGCOSHPSA-N 0 3 337.395 2.780 10 5 EFBEHN C[C@H](NC(=O)CCN(C)c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000580756259 324226757 /nfs/dbraw/zinc/22/67/57/324226757.db2.gz UFCUWIVNNXCDLO-ZDUSSCGKSA-N 0 3 328.372 2.694 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCNC[C@H]2C(F)F)o1 ZINC000580952661 324274012 /nfs/dbraw/zinc/27/40/12/324274012.db2.gz ONFKSQOGGMBIKJ-AWEZNQCLSA-N 0 3 337.326 2.894 10 5 EFBEHN CCn1cnnc1[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000161264606 473221411 /nfs/dbraw/zinc/22/14/11/473221411.db2.gz QRDFNBPUPOUHDD-HNNXBMFYSA-N 0 3 329.404 2.628 10 5 EFBEHN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000112076025 473241138 /nfs/dbraw/zinc/24/11/38/473241138.db2.gz KMIRUIVPGRJZJI-OAHLLOKOSA-N 0 3 346.431 2.727 10 5 EFBEHN CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000124482025 473250929 /nfs/dbraw/zinc/25/09/29/473250929.db2.gz JAQVMDFJLWNPFI-OCCSQVGLSA-N 0 3 335.404 2.548 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000124514749 473254680 /nfs/dbraw/zinc/25/46/80/473254680.db2.gz CHCQVIIJJAZKRD-WDEREUQCSA-N 0 3 325.796 2.803 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000124573130 473265859 /nfs/dbraw/zinc/26/58/59/473265859.db2.gz YNDLMYCBWJDULQ-JQWIXIFHSA-N 0 3 325.796 2.803 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000081997859 473284637 /nfs/dbraw/zinc/28/46/37/473284637.db2.gz YUWPUTMLKYSMAT-UHFFFAOYSA-N 0 3 349.431 2.522 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000083026651 473313069 /nfs/dbraw/zinc/31/30/69/473313069.db2.gz CEMZIWNTPFONHM-HUUCEWRRSA-N 0 3 349.431 2.522 10 5 EFBEHN Cc1nccn1C[C@@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177210842 473332156 /nfs/dbraw/zinc/33/21/56/473332156.db2.gz VMHBDPXQQLQHOE-AWEZNQCLSA-N 0 3 341.371 2.906 10 5 EFBEHN CCc1nnc(C2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)[nH]1 ZINC000190718976 473372268 /nfs/dbraw/zinc/37/22/68/473372268.db2.gz CPGDRISFIONOSU-UHFFFAOYSA-N 0 3 333.367 2.794 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000113233309 473374049 /nfs/dbraw/zinc/37/40/49/473374049.db2.gz RIYRGDKRQRKRFH-NWDGAFQWSA-N 0 3 335.429 2.625 10 5 EFBEHN CN(C)C1CC(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000622008236 479880048 /nfs/dbraw/zinc/88/00/48/479880048.db2.gz FGQCGWAIYXYEPU-UHFFFAOYSA-N 0 3 335.407 2.504 10 5 EFBEHN Cc1sc(C(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000088250393 472352108 /nfs/dbraw/zinc/35/21/08/472352108.db2.gz WLDBRQTXAGRGMG-UHFFFAOYSA-N 0 3 337.401 2.762 10 5 EFBEHN COc1cc(CN[C@@H](CO)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000613389447 479984210 /nfs/dbraw/zinc/98/42/10/479984210.db2.gz MSQXJWRIUYVIGU-BBRMVZONSA-N 0 3 330.384 2.858 10 5 EFBEHN CN(C)C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000128176306 472412070 /nfs/dbraw/zinc/41/20/70/472412070.db2.gz CKTKCNDWPQJCQC-OAHLLOKOSA-N 0 3 345.399 2.617 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2nc(CN3CCN4CCCC[C@@H]4C3)co2)cc1 ZINC000089912594 472544136 /nfs/dbraw/zinc/54/41/36/472544136.db2.gz ZTMFHDDTQFKDMI-QGZVFWFLSA-N 0 3 342.399 2.920 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000129734577 472563065 /nfs/dbraw/zinc/56/30/65/472563065.db2.gz GIDBOTILOIMKEC-ABAIWWIYSA-N 0 3 332.404 2.620 10 5 EFBEHN C[C@@H]1CCCN(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000119887318 472597017 /nfs/dbraw/zinc/59/70/17/472597017.db2.gz KFKSUOLLWJFWGR-GFCCVEGCSA-N 0 3 330.388 2.538 10 5 EFBEHN CCOc1ccc(C(=O)NCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000046859433 472611610 /nfs/dbraw/zinc/61/16/10/472611610.db2.gz QMOMFYMDLNUFJA-ZDUSSCGKSA-N 0 3 335.404 2.598 10 5 EFBEHN CCC[C@@H](N[C@@H]1CCN(C(=O)NCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090409763 472614910 /nfs/dbraw/zinc/61/49/10/472614910.db2.gz GAMFCWHACADWCM-GDBMZVCRSA-N 0 3 334.420 2.829 10 5 EFBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000090517878 472628651 /nfs/dbraw/zinc/62/86/51/472628651.db2.gz YFWHOOWWXKBLBA-MRXNPFEDSA-N 0 3 345.374 2.603 10 5 EFBEHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000130977833 472641081 /nfs/dbraw/zinc/64/10/81/472641081.db2.gz SFUAAWYRSNURDU-SNVBAGLBSA-N 0 3 339.193 2.905 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000047145280 472659846 /nfs/dbraw/zinc/65/98/46/472659846.db2.gz GTVGBHULUYNHEX-CYBMUJFWSA-N 0 3 346.431 2.773 10 5 EFBEHN C[C@@H](N[C@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000105802167 472777463 /nfs/dbraw/zinc/77/74/63/472777463.db2.gz MWUHTRGPVVTWMX-HIFRSBDPSA-N 0 3 327.388 2.704 10 5 EFBEHN C[C@H]1CN(CCC2CCN(c3ccncc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000079021916 472807700 /nfs/dbraw/zinc/80/77/00/472807700.db2.gz SCGMNKQRTCNGCP-GJZGRUSLSA-N 0 3 348.447 2.706 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000063812611 472816320 /nfs/dbraw/zinc/81/63/20/472816320.db2.gz CHCHUPQBQKVZFY-LBPRGKRZSA-N 0 3 330.388 2.680 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000121375803 472842991 /nfs/dbraw/zinc/84/29/91/472842991.db2.gz HOMVDDVLHBAXHQ-KRWDZBQOSA-N 0 3 327.384 2.936 10 5 EFBEHN Cc1cnc(CCN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000157782112 472859044 /nfs/dbraw/zinc/85/90/44/472859044.db2.gz UBLGBKKZXRNXJP-UHFFFAOYSA-N 0 3 348.428 2.863 10 5 EFBEHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000157828422 472863417 /nfs/dbraw/zinc/86/34/17/472863417.db2.gz HHPXJRSCRHEDLR-LLVKDONJSA-N 0 3 341.358 2.723 10 5 EFBEHN C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000079983752 472953139 /nfs/dbraw/zinc/95/31/39/472953139.db2.gz CWXCNFMGEFDQFZ-KBPBESRZSA-N 0 3 334.420 2.829 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080012921 472961386 /nfs/dbraw/zinc/96/13/86/472961386.db2.gz BITFXYOAUFUVQO-ZFWWWQNUSA-N 0 3 336.436 2.931 10 5 EFBEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159566803 473039952 /nfs/dbraw/zinc/03/99/52/473039952.db2.gz DNJJNYNDOGQESE-GXTWGEPZSA-N 0 3 343.383 2.941 10 5 EFBEHN Cc1sc(C(=O)N[C@@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000185423580 473422763 /nfs/dbraw/zinc/42/27/63/473422763.db2.gz MOHMDTQTLQJIOB-NSHDSACASA-N 0 3 325.434 2.959 10 5 EFBEHN CCO[C@@H]1C[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000185651497 473478593 /nfs/dbraw/zinc/47/85/93/473478593.db2.gz MDEPUHHPIJYDLT-DLBZAZTESA-N 0 3 334.416 2.967 10 5 EFBEHN CCN(CC)Cc1cccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1 ZINC000191524943 473550260 /nfs/dbraw/zinc/55/02/60/473550260.db2.gz OUDFMJLILFXLGD-UHFFFAOYSA-N 0 3 345.403 2.905 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000186401100 473669016 /nfs/dbraw/zinc/66/90/16/473669016.db2.gz MAVMQBWYMUEYDJ-WSYSLRRZSA-N 0 3 331.416 2.798 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000186401118 473669338 /nfs/dbraw/zinc/66/93/38/473669338.db2.gz MAVMQBWYMUEYDJ-UKYUDJEDSA-N 0 3 331.416 2.798 10 5 EFBEHN CN(C)C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000172703445 473673965 /nfs/dbraw/zinc/67/39/65/473673965.db2.gz JNBMDCFJIQHAIF-QGZVFWFLSA-N 0 3 327.384 2.556 10 5 EFBEHN O=C(NCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192765578 473721832 /nfs/dbraw/zinc/72/18/32/473721832.db2.gz HYHXLCDQHFYYFT-GOSISDBHSA-N 0 3 339.395 2.992 10 5 EFBEHN Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000245619153 473727394 /nfs/dbraw/zinc/72/73/94/473727394.db2.gz WFBOAUCKXGNQFW-JKSUJKDBSA-N 0 3 330.388 2.805 10 5 EFBEHN C[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000245970169 473768940 /nfs/dbraw/zinc/76/89/40/473768940.db2.gz NYALQTLXRURIMD-YSVLISHTSA-N 0 3 346.431 2.782 10 5 EFBEHN CN1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000180109833 473801711 /nfs/dbraw/zinc/80/17/11/473801711.db2.gz HSOQJKBVQAUOHL-MJGOQNOKSA-N 0 3 339.395 2.699 10 5 EFBEHN C[C@@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173444467 473841259 /nfs/dbraw/zinc/84/12/59/473841259.db2.gz RSTOWQFFSIGCJM-UKRRQHHQSA-N 0 3 329.404 2.648 10 5 EFBEHN CCc1ccc([C@@H]2CCCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000173654230 473907081 /nfs/dbraw/zinc/90/70/81/473907081.db2.gz NECUXBOMNGCQRC-HOCLYGCPSA-N 0 3 348.403 2.535 10 5 EFBEHN CC[C@@H](NC[C@@H](O)COCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000181561146 474049277 /nfs/dbraw/zinc/04/92/77/474049277.db2.gz ICLIGAXIKDRREG-NVXWUHKLSA-N 0 3 334.372 2.806 10 5 EFBEHN CCN1CCC[C@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247106043 474064703 /nfs/dbraw/zinc/06/47/03/474064703.db2.gz QUHVYDULXAFACE-HIFRSBDPSA-N 0 3 334.420 2.748 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275109628 474073575 /nfs/dbraw/zinc/07/35/75/474073575.db2.gz MVISZJIAZXXUPW-PWSUYJOCSA-N 0 3 345.321 2.656 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247300825 474113031 /nfs/dbraw/zinc/11/30/31/474113031.db2.gz LKKAYALMRMXFHP-ZWNOBZJWSA-N 0 3 325.796 2.707 10 5 EFBEHN CN(CCc1ccc(F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182221104 474126017 /nfs/dbraw/zinc/12/60/17/474126017.db2.gz AAYXFMPSVZPDTM-MRXNPFEDSA-N 0 3 348.374 2.648 10 5 EFBEHN CSc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000247448667 474148768 /nfs/dbraw/zinc/14/87/68/474148768.db2.gz SNQFRDMFPXUULG-WCQYABFASA-N 0 3 337.445 2.775 10 5 EFBEHN CSc1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000188703062 474171822 /nfs/dbraw/zinc/17/18/22/474171822.db2.gz KCXVVZRVJUNBRA-UHFFFAOYSA-N 0 3 343.408 2.850 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1CN1CCOCC1 ZINC000247524725 474172562 /nfs/dbraw/zinc/17/25/62/474172562.db2.gz NSZLKCYHKUVCDA-YJBOKZPZSA-N 0 3 333.432 2.843 10 5 EFBEHN COc1cc(C(=O)NCCN2CCCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000188730665 474179034 /nfs/dbraw/zinc/17/90/34/474179034.db2.gz YCEZZJZZBKVQRJ-GFCCVEGCSA-N 0 3 335.404 2.516 10 5 EFBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000175436778 474219269 /nfs/dbraw/zinc/21/92/69/474219269.db2.gz LRVSDNNCTDAHRQ-CHWSQXEVSA-N 0 3 337.807 2.947 10 5 EFBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000175438695 474219337 /nfs/dbraw/zinc/21/93/37/474219337.db2.gz ZBSBQTYCSPIYBE-WCQYABFASA-N 0 3 337.807 2.947 10 5 EFBEHN CO[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1C ZINC000189276823 474344554 /nfs/dbraw/zinc/34/45/54/474344554.db2.gz LMVOSVWAAZUQKY-CZUORRHYSA-N 0 3 335.404 2.589 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H](O)COCc1ccccc1 ZINC000183296826 474368460 /nfs/dbraw/zinc/36/84/60/474368460.db2.gz YSAUODZAOUGXEV-LJQANCHMSA-N 0 3 344.411 2.913 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248611245 474376049 /nfs/dbraw/zinc/37/60/49/474376049.db2.gz XQUQRSMVSKSSMT-TZMCWYRMSA-N 0 3 337.395 2.780 10 5 EFBEHN C[C@H](NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000283400934 474393104 /nfs/dbraw/zinc/39/31/04/474393104.db2.gz QHCIREKTZJUNKZ-QRTARXTBSA-N 0 3 334.416 2.813 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN1C ZINC000265942496 474394887 /nfs/dbraw/zinc/39/48/87/474394887.db2.gz IFTFJNGYYRAHQC-AAEUAGOBSA-N 0 3 331.372 2.896 10 5 EFBEHN COc1ccc([C@H]2C[C@H](C)N(CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000176250192 474422020 /nfs/dbraw/zinc/42/20/20/474422020.db2.gz VMLAPKGGPZZRSJ-ZFWWWQNUSA-N 0 3 330.388 2.678 10 5 EFBEHN CO[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000249200442 474543654 /nfs/dbraw/zinc/54/36/54/474543654.db2.gz QUOGAXHPABVMES-CXAGYDPISA-N 0 3 344.415 2.852 10 5 EFBEHN CN1CC[C@@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000277689714 474592922 /nfs/dbraw/zinc/59/29/22/474592922.db2.gz GNWNOFNINXDLTH-ZDUSSCGKSA-N 0 3 335.407 2.775 10 5 EFBEHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000249918569 474625017 /nfs/dbraw/zinc/62/50/17/474625017.db2.gz YCISQWRTCRLQON-OLZOCXBDSA-N 0 3 344.415 2.926 10 5 EFBEHN COC(=O)[C@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000272882619 474633697 /nfs/dbraw/zinc/63/36/97/474633697.db2.gz VXQMVYKZXYDDSX-LBPRGKRZSA-N 0 3 329.356 2.841 10 5 EFBEHN CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000284618388 474692554 /nfs/dbraw/zinc/69/25/54/474692554.db2.gz SSASOYIYCSKJTO-UONOGXRCSA-N 0 3 345.321 2.523 10 5 EFBEHN CN1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000253309276 474720626 /nfs/dbraw/zinc/72/06/26/474720626.db2.gz BXUSZYOKVMWFRR-GOEBONIOSA-N 0 3 341.371 2.557 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000273112680 474722383 /nfs/dbraw/zinc/72/23/83/474722383.db2.gz OCIFYKSJKFSGLZ-HOTGVXAUSA-N 0 3 336.775 2.605 10 5 EFBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278730601 474801217 /nfs/dbraw/zinc/80/12/17/474801217.db2.gz LDWCRXYYWJRJOY-RYUDHWBXSA-N 0 3 348.321 2.609 10 5 EFBEHN CS[C@@H]1CN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000273339955 474850318 /nfs/dbraw/zinc/85/03/18/474850318.db2.gz QEKXNXZTIJIHNH-IEWAYXNBSA-N 0 3 349.456 2.502 10 5 EFBEHN COc1cc(N2CC[C@@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000339055292 474887337 /nfs/dbraw/zinc/88/73/37/474887337.db2.gz HXCWDMBWBVILCU-MRXNPFEDSA-N 0 3 349.431 2.685 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](CO)Cc1ccc(F)cc1 ZINC000273426511 474891429 /nfs/dbraw/zinc/89/14/29/474891429.db2.gz KKZDOFIABMHFQS-OAHLLOKOSA-N 0 3 332.375 2.983 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000273446551 474901335 /nfs/dbraw/zinc/90/13/35/474901335.db2.gz AYHKHAJSWLSAJO-FNDVETGQSA-N 0 3 329.400 2.765 10 5 EFBEHN CC(C)N1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268479376 475004901 /nfs/dbraw/zinc/00/49/01/475004901.db2.gz KLKNEGHTWDKTLW-JTQLQIEISA-N 0 3 329.198 2.647 10 5 EFBEHN CO[C@H]1C[C@@H](N(C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000285430431 475020836 /nfs/dbraw/zinc/02/08/36/475020836.db2.gz QYYUPFXXUTUNPU-PHIMTYICSA-N 0 3 329.194 2.967 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000361213951 475274124 /nfs/dbraw/zinc/27/41/24/475274124.db2.gz TUZUBJYVEJGWHU-YJBOKZPZSA-N 0 3 345.443 2.716 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000361213948 475274719 /nfs/dbraw/zinc/27/47/19/475274719.db2.gz TUZUBJYVEJGWHU-CRAIPNDOSA-N 0 3 345.443 2.716 10 5 EFBEHN CCO[C@@H]1C[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000339596440 475331043 /nfs/dbraw/zinc/33/10/43/475331043.db2.gz UEGWQNYQIJFWNQ-DJIMGWMZSA-N 0 3 330.388 2.608 10 5 EFBEHN CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2C)[C@@H]1n1cccn1 ZINC000339598965 475335990 /nfs/dbraw/zinc/33/59/90/475335990.db2.gz RLYYKJLKIAEEHS-ZACQAIPSSA-N 0 3 330.388 2.608 10 5 EFBEHN C[C@@H]1C[C@@H]1N1C[C@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000358172146 475458335 /nfs/dbraw/zinc/45/83/35/475458335.db2.gz IEUCMCVHFWYPAA-YMCQQKJTSA-N 0 3 343.427 2.515 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000338041569 475537066 /nfs/dbraw/zinc/53/70/66/475537066.db2.gz GDSYZEGACVMGLE-KRWDZBQOSA-N 0 3 341.411 2.806 10 5 EFBEHN CNC(=O)C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000361642182 475624030 /nfs/dbraw/zinc/62/40/30/475624030.db2.gz HZWQVSMLEJKMMQ-KRWDZBQOSA-N 0 3 327.384 2.604 10 5 EFBEHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C2CC2)C1 ZINC000348428478 475661273 /nfs/dbraw/zinc/66/12/73/475661273.db2.gz OEQFTKUOUBQCAA-GFCCVEGCSA-N 0 3 338.795 2.949 10 5 EFBEHN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355281495 475797699 /nfs/dbraw/zinc/79/76/99/475797699.db2.gz WOSSPCDGIVFVHI-GOSISDBHSA-N 0 3 339.395 2.941 10 5 EFBEHN CCOc1ccc([C@H](C)NC[C@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000348684352 475816516 /nfs/dbraw/zinc/81/65/16/475816516.db2.gz PEXPDLZEEZARDE-XJKSGUPXSA-N 0 3 345.399 2.815 10 5 EFBEHN NC(=O)C1CCC(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000340456863 476046865 /nfs/dbraw/zinc/04/68/65/476046865.db2.gz BJWAFXVMHUIGCF-UHFFFAOYSA-N 0 3 343.383 2.989 10 5 EFBEHN CCCCN(C)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358969359 476077975 /nfs/dbraw/zinc/07/79/75/476077975.db2.gz AEHXARXJDQDPQM-UHFFFAOYSA-N 0 3 345.346 2.658 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]2COCC[C@@H]21 ZINC000362454428 476263542 /nfs/dbraw/zinc/26/35/42/476263542.db2.gz QIGNRNFCYLTCTG-PBHICJAKSA-N 0 3 347.415 2.733 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]2COCC[C@H]21 ZINC000362454430 476263849 /nfs/dbraw/zinc/26/38/49/476263849.db2.gz QIGNRNFCYLTCTG-WMLDXEAASA-N 0 3 347.415 2.733 10 5 EFBEHN COc1ccc(-c2ccc(CN[C@H](C)[C@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000304324665 476279332 /nfs/dbraw/zinc/27/93/32/476279332.db2.gz UYLRAFSCYPBYOD-VXGBXAGGSA-N 0 3 334.372 2.970 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000360666892 476334355 /nfs/dbraw/zinc/33/43/55/476334355.db2.gz SBZHPBWZLNXMQV-CRAIPNDOSA-N 0 3 345.443 2.859 10 5 EFBEHN CSC1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCN(C)CC1 ZINC000357572330 476463657 /nfs/dbraw/zinc/46/36/57/476463657.db2.gz UBVZHLFDEHCMDK-UHFFFAOYSA-N 0 3 330.841 2.883 10 5 EFBEHN CN1CCC[C@H](CNc2ccncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000360992151 476529461 /nfs/dbraw/zinc/52/94/61/476529461.db2.gz ZYEYNCHKBUAXQS-MLGOLLRUSA-N 0 3 332.429 2.968 10 5 EFBEHN CC1CCC(OC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000369997291 476621602 /nfs/dbraw/zinc/62/16/02/476621602.db2.gz OOEXPGXUKBEIAG-UHFFFAOYSA-N 0 3 336.436 2.851 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@]2(C1)c1ccccc1NC2=O ZINC000375300037 476764224 /nfs/dbraw/zinc/76/42/24/476764224.db2.gz STWHUXVZQWFLRU-IBGZPJMESA-N 0 3 337.379 2.999 10 5 EFBEHN COC[C@@H]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452090360 476818030 /nfs/dbraw/zinc/81/80/30/476818030.db2.gz RZPKTOKWMOUNJA-CQSZACIVSA-N 0 3 338.404 2.731 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375431396 476834328 /nfs/dbraw/zinc/83/43/28/476834328.db2.gz NOFFLPSAFJNFTC-CYBMUJFWSA-N 0 3 344.371 2.724 10 5 EFBEHN Cc1cc(NC(=O)NCCCNCc2cccnc2)ccc1[N+](=O)[O-] ZINC000415415409 476921969 /nfs/dbraw/zinc/92/19/69/476921969.db2.gz IAYIWZVAPOZVNX-UHFFFAOYSA-N 0 3 343.387 2.600 10 5 EFBEHN O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1CNCCC1(F)F)C1CC1 ZINC000423485805 477045160 /nfs/dbraw/zinc/04/51/60/477045160.db2.gz RWWFJUXQHKNTQW-DZGCQCFKSA-N 0 3 325.359 2.503 10 5 EFBEHN C[C@H](NC[C@H]1CS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453236823 477194741 /nfs/dbraw/zinc/19/47/41/477194741.db2.gz OHRDFLQXNMRVRF-JSGCOSHPSA-N 0 3 346.408 2.817 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436384788 477472682 /nfs/dbraw/zinc/47/26/82/477472682.db2.gz GRCQROUVZBZIDB-SNVBAGLBSA-N 0 3 332.326 2.929 10 5 EFBEHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000372150194 477663204 /nfs/dbraw/zinc/66/32/04/477663204.db2.gz NIZHOWNXOMLXDV-XVSDVWIESA-N 0 3 342.395 2.952 10 5 EFBEHN CN(C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000427985687 477800070 /nfs/dbraw/zinc/80/00/70/477800070.db2.gz SNACFLOWSUHUJK-INIZCTEOSA-N 0 3 343.362 2.747 10 5 EFBEHN C[C@@H]1C[C@H](N2CCCC2)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000515469322 477829135 /nfs/dbraw/zinc/82/91/35/477829135.db2.gz JNSFJJJQQFTQJA-HIFRSBDPSA-N 0 3 330.432 2.932 10 5 EFBEHN COc1cccc2c1C[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000459692373 478043162 /nfs/dbraw/zinc/04/31/62/478043162.db2.gz GXVHBAOEDHJONJ-CQSZACIVSA-N 0 3 328.368 2.869 10 5 EFBEHN Cc1ccsc1[C@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494684121 478043481 /nfs/dbraw/zinc/04/34/81/478043481.db2.gz HWQUCABIDURNII-ZDUSSCGKSA-N 0 3 349.412 2.617 10 5 EFBEHN COc1cc(C[NH2+]C[C@H]2CC23CCSCC3)c([N+](=O)[O-])cc1[O-] ZINC000421352559 478047945 /nfs/dbraw/zinc/04/79/45/478047945.db2.gz OKYHWXHYTJNKEH-GFCCVEGCSA-N 0 3 338.429 2.932 10 5 EFBEHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451597517 478116424 /nfs/dbraw/zinc/11/64/24/478116424.db2.gz IVFKCBGDAXMHKQ-KGLIPLIRSA-N 0 3 336.388 2.815 10 5 EFBEHN CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc2c(n1)[C@@H](N)CCC2 ZINC000518963776 478201152 /nfs/dbraw/zinc/20/11/52/478201152.db2.gz POWLNYUMGNDNJI-HNNXBMFYSA-N 0 3 330.388 2.963 10 5 EFBEHN CC(C)c1n[nH]c(C(=O)NC[C@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600228964 478297923 /nfs/dbraw/zinc/29/79/23/478297923.db2.gz IHSVBGLATSMGHX-CYBMUJFWSA-N 0 3 349.435 2.578 10 5 EFBEHN COc1cc(C(=O)NC[C@H]2CCN2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600229096 478298256 /nfs/dbraw/zinc/29/82/56/478298256.db2.gz OZCBNUMMASWHDD-OAHLLOKOSA-N 0 3 347.415 2.740 10 5 EFBEHN CNc1ccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600228396 478299657 /nfs/dbraw/zinc/29/96/57/478299657.db2.gz LDIHBASJLGFDFY-HNNXBMFYSA-N 0 3 346.431 2.773 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600229989 478300727 /nfs/dbraw/zinc/30/07/27/478300727.db2.gz MSLYPRCYVLEYHU-HNNXBMFYSA-N 0 3 347.415 2.740 10 5 EFBEHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594417198 478374922 /nfs/dbraw/zinc/37/49/22/478374922.db2.gz AXOZHQNFEIVFGW-SJORKVTESA-N 0 3 342.399 2.823 10 5 EFBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000600473125 478383738 /nfs/dbraw/zinc/38/37/38/478383738.db2.gz QZYWHYCOYNNXSN-CYBMUJFWSA-N 0 3 342.399 2.823 10 5 EFBEHN C[C@@H](C(=O)NC[C@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600474528 478385124 /nfs/dbraw/zinc/38/51/24/478385124.db2.gz XWRQZZPLFLCOKX-IUODEOHRSA-N 0 3 349.406 2.971 10 5 EFBEHN C[C@H](C(=O)NC[C@@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600474530 478385188 /nfs/dbraw/zinc/38/51/88/478385188.db2.gz XWRQZZPLFLCOKX-WFASDCNBSA-N 0 3 349.406 2.971 10 5 EFBEHN CO[C@@](C)(CO)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000594510902 478419500 /nfs/dbraw/zinc/41/95/00/478419500.db2.gz POTSPKPOVUCPCT-MRXNPFEDSA-N 0 3 336.413 2.810 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597856884 478543130 /nfs/dbraw/zinc/54/31/30/478543130.db2.gz CDMVFTYIUMARLV-NSHDSACASA-N 0 3 330.388 2.679 10 5 EFBEHN CCN1CCC[C@@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600965345 478589312 /nfs/dbraw/zinc/58/93/12/478589312.db2.gz NQTKWEWCJMBCMY-MRXNPFEDSA-N 0 3 331.416 2.617 10 5 EFBEHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594939933 478596108 /nfs/dbraw/zinc/59/61/08/478596108.db2.gz VVMNQLCQKVGRMV-BZHVJNSISA-N 0 3 346.305 2.901 10 5 EFBEHN COc1cc(CNC[C@H](C)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000594952310 478600341 /nfs/dbraw/zinc/60/03/41/478600341.db2.gz BJTSQLRMIZOUIH-LBPRGKRZSA-N 0 3 331.372 2.900 10 5 EFBEHN CO[C@@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000594954077 478603037 /nfs/dbraw/zinc/60/30/37/478603037.db2.gz XJMXVESGWRGSRU-KSSFIOAISA-N 0 3 346.383 2.996 10 5 EFBEHN C[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccn1 ZINC000594956932 478604732 /nfs/dbraw/zinc/60/47/32/478604732.db2.gz YMUAJPOEYBYPEE-GFCCVEGCSA-N 0 3 329.356 2.654 10 5 EFBEHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000594979997 478616991 /nfs/dbraw/zinc/61/69/91/478616991.db2.gz OJOVFQKUYFFCLV-GUYCJALGSA-N 0 3 332.379 2.968 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1c(C)nn(C)c1C ZINC000595004532 478625014 /nfs/dbraw/zinc/62/50/14/478625014.db2.gz TVDWLRLZEFPPPR-NSHDSACASA-N 0 3 332.404 2.847 10 5 EFBEHN CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCN(CC)C1 ZINC000598039647 478627470 /nfs/dbraw/zinc/62/74/70/478627470.db2.gz LOEHVXDZQIRAKS-HNNXBMFYSA-N 0 3 344.415 2.561 10 5 EFBEHN CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCN(CC)C1 ZINC000598039648 478627519 /nfs/dbraw/zinc/62/75/19/478627519.db2.gz LOEHVXDZQIRAKS-OAHLLOKOSA-N 0 3 344.415 2.561 10 5 EFBEHN CCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598039865 478627577 /nfs/dbraw/zinc/62/75/77/478627577.db2.gz AWASTIAUHXGOJW-HNNXBMFYSA-N 0 3 349.431 2.615 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(O)Cc2ccccc2C1 ZINC000595009847 478628298 /nfs/dbraw/zinc/62/82/98/478628298.db2.gz TWRYVFPCCBTVTB-ZDUSSCGKSA-N 0 3 342.395 2.784 10 5 EFBEHN CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598041817 478628350 /nfs/dbraw/zinc/62/83/50/478628350.db2.gz NJNKKFCSIUOBBV-OAHLLOKOSA-N 0 3 346.431 2.725 10 5 EFBEHN CCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598042591 478629036 /nfs/dbraw/zinc/62/90/36/478629036.db2.gz QFESTLYMMJUPTP-CYBMUJFWSA-N 0 3 337.445 2.873 10 5 EFBEHN COC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595074945 478652667 /nfs/dbraw/zinc/65/26/67/478652667.db2.gz XEVSFBZPJLBWAO-WBMJQRKESA-N 0 3 338.404 2.696 10 5 EFBEHN Cc1c([C@@H](C)NCCN2C[C@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000595100741 478660871 /nfs/dbraw/zinc/66/08/71/478660871.db2.gz IPJOICCGDPZYIE-HUUCEWRRSA-N 0 3 346.431 2.844 10 5 EFBEHN CC[C@H](NCCN1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595105897 478662220 /nfs/dbraw/zinc/66/22/20/478662220.db2.gz UEMWWBKLBMPNBA-SJORKVTESA-N 0 3 346.431 2.926 10 5 EFBEHN CC[C@@H](NCCN1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595105895 478663054 /nfs/dbraw/zinc/66/30/54/478663054.db2.gz UEMWWBKLBMPNBA-IAGOWNOFSA-N 0 3 346.431 2.926 10 5 EFBEHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1cccc(F)c1 ZINC000595226246 478694866 /nfs/dbraw/zinc/69/48/66/478694866.db2.gz SHPLFXWGKKRPCB-IAGOWNOFSA-N 0 3 343.358 2.691 10 5 EFBEHN Cc1cccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1[N+](=O)[O-] ZINC000595257383 478704426 /nfs/dbraw/zinc/70/44/26/478704426.db2.gz JKEDWMLLZMZRBK-MRXNPFEDSA-N 0 3 341.367 2.816 10 5 EFBEHN Cc1cccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1[N+](=O)[O-] ZINC000595257382 478704893 /nfs/dbraw/zinc/70/48/93/478704893.db2.gz JKEDWMLLZMZRBK-INIZCTEOSA-N 0 3 341.367 2.816 10 5 EFBEHN C[C@H](CN1CCC(C)CC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598263083 478732239 /nfs/dbraw/zinc/73/22/39/478732239.db2.gz PJNAXCCNUXXEHJ-CYBMUJFWSA-N 0 3 344.415 2.926 10 5 EFBEHN Cc1noc(CN2CCN(Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000595339659 478738473 /nfs/dbraw/zinc/73/84/73/478738473.db2.gz ZPKBRNMNXSFVAO-AWEZNQCLSA-N 0 3 344.415 2.988 10 5 EFBEHN C[C@@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN1C ZINC000601233244 478738928 /nfs/dbraw/zinc/73/89/28/478738928.db2.gz ZTGLTOWXSOGZMY-UKRRQHHQSA-N 0 3 331.416 2.615 10 5 EFBEHN CO[C@@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000595373191 478752597 /nfs/dbraw/zinc/75/25/97/478752597.db2.gz XZTXWEHBQDDSKE-ZBFHGGJFSA-N 0 3 334.420 2.681 10 5 EFBEHN COC(=O)c1cc(N[C@@H]2C[C@H](C)N(C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000564567616 478762197 /nfs/dbraw/zinc/76/21/97/478762197.db2.gz LRZDZZQWKNATGU-WCQYABFASA-N 0 3 333.388 2.727 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOCC(=O)OC(C)(C)C ZINC000601294201 478770093 /nfs/dbraw/zinc/77/00/93/478770093.db2.gz LMEQUTUYPCZVRO-CYBMUJFWSA-N 0 3 338.404 2.912 10 5 EFBEHN Cc1ccc([C@H](C)NCCOCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000601295481 478771971 /nfs/dbraw/zinc/77/19/71/478771971.db2.gz VPDCLIZBJPBJAI-ZDUSSCGKSA-N 0 3 338.404 2.912 10 5 EFBEHN CCCN1CC[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000598343410 478777496 /nfs/dbraw/zinc/77/74/96/478777496.db2.gz UMULQXAIEOMYJB-LBPRGKRZSA-N 0 3 325.796 2.771 10 5 EFBEHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601311115 478779746 /nfs/dbraw/zinc/77/97/46/478779746.db2.gz YKGRKMHEYVJBJM-GUYCJALGSA-N 0 3 343.427 2.615 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCN(C(C)(C)C)CC2)c1 ZINC000543902300 478798200 /nfs/dbraw/zinc/79/82/00/478798200.db2.gz MRPUSIVOLYAZEM-UHFFFAOYSA-N 0 3 335.404 2.692 10 5 EFBEHN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000572345070 478811550 /nfs/dbraw/zinc/81/15/50/478811550.db2.gz RDFYCRPKYXYQMH-OAHLLOKOSA-N 0 3 348.790 2.676 10 5 EFBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601410262 478824342 /nfs/dbraw/zinc/82/43/42/478824342.db2.gz JGSLBNIBJUVCJO-ZDUSSCGKSA-N 0 3 345.374 2.984 10 5 EFBEHN C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1=CCN(C)CC1 ZINC000601421979 478829208 /nfs/dbraw/zinc/82/92/08/478829208.db2.gz NNVVHEHBGOZEFZ-CQSZACIVSA-N 0 3 343.427 2.783 10 5 EFBEHN CC1(C)C[C@@H](N(CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)CO1 ZINC000595634526 478904109 /nfs/dbraw/zinc/90/41/09/478904109.db2.gz BPKLSSMLJPWCAR-MRXNPFEDSA-N 0 3 344.415 2.861 10 5 EFBEHN CCC(C)(C)[C@@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595638251 478906141 /nfs/dbraw/zinc/90/61/41/478906141.db2.gz DSBFNNYKUQDFRA-SNVBAGLBSA-N 0 3 337.376 2.676 10 5 EFBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(C2CCC2)CC1 ZINC000595658702 478920715 /nfs/dbraw/zinc/92/07/15/478920715.db2.gz HQFDLFAQBNVAIQ-MRXNPFEDSA-N 0 3 334.416 2.847 10 5 EFBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000595664169 478922003 /nfs/dbraw/zinc/92/20/03/478922003.db2.gz YNBJHLMQBNJSKP-AWEZNQCLSA-N 0 3 334.420 2.609 10 5 EFBEHN CN(C[C@@H]1CCCN1C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601644321 478923884 /nfs/dbraw/zinc/92/38/84/478923884.db2.gz OBKZHOOTAYHHFL-INIZCTEOSA-N 0 3 331.416 2.569 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595769064 478987255 /nfs/dbraw/zinc/98/72/55/478987255.db2.gz OSGKWOKFPGOOKN-YOEHRIQHSA-N 0 3 344.415 2.838 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000601777519 478997701 /nfs/dbraw/zinc/99/77/01/478997701.db2.gz SIKGGILMRBDTRP-UHFFFAOYSA-N 0 3 343.387 2.619 10 5 EFBEHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC(F)CC1 ZINC000595818772 479015176 /nfs/dbraw/zinc/01/51/76/479015176.db2.gz IYLGOFZHTFROLG-DNOWBOINSA-N 0 3 349.406 2.990 10 5 EFBEHN COc1ccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC000595904477 479062376 /nfs/dbraw/zinc/06/23/76/479062376.db2.gz DJGIODXIDPAYID-HDICACEKSA-N 0 3 332.400 2.996 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595911695 479065660 /nfs/dbraw/zinc/06/56/60/479065660.db2.gz VMFUFYPBGXUMPM-HDICACEKSA-N 0 3 332.400 2.996 10 5 EFBEHN C[C@H](CCN1CCN(C)CC1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000546732248 479066425 /nfs/dbraw/zinc/06/64/25/479066425.db2.gz KFDVRXVNRYLMDB-CQSZACIVSA-N 0 3 343.431 2.581 10 5 EFBEHN CN(C)CCN1CCC(Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599023825 479131414 /nfs/dbraw/zinc/13/14/14/479131414.db2.gz YRABESCQYUJAPD-UHFFFAOYSA-N 0 3 343.431 2.581 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000593025649 479132103 /nfs/dbraw/zinc/13/21/03/479132103.db2.gz PENMQDHZPZSMKB-AWEZNQCLSA-N 0 3 336.388 2.817 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c1 ZINC000593029547 479133101 /nfs/dbraw/zinc/13/31/01/479133101.db2.gz BYHZANAGRQMBBB-KMUNFCNLSA-N 0 3 336.388 2.531 10 5 EFBEHN COC1CCN(CCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599060323 479142948 /nfs/dbraw/zinc/14/29/48/479142948.db2.gz HIEVBUBHQCKECH-UHFFFAOYSA-N 0 3 330.388 2.666 10 5 EFBEHN CN1C(=O)c2ccccc2[C@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599074541 479151251 /nfs/dbraw/zinc/15/12/51/479151251.db2.gz NGBBSAIPZAHJIQ-SJLPKXTDSA-N 0 3 337.379 2.999 10 5 EFBEHN COCCCN(C)CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596142217 479161585 /nfs/dbraw/zinc/16/15/85/479161585.db2.gz RBKJJLSVSRREHR-UHFFFAOYSA-N 0 3 331.800 2.637 10 5 EFBEHN COC(=O)c1c(Cl)c(N[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596146822 479163665 /nfs/dbraw/zinc/16/36/65/479163665.db2.gz QGJPAEBHWFQGSH-VHSXEESVSA-N 0 3 341.795 2.929 10 5 EFBEHN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1c1ccccc1 ZINC000596179227 479182631 /nfs/dbraw/zinc/18/26/31/479182631.db2.gz OPOISLJWYVPQCP-NVXWUHKLSA-N 0 3 340.383 2.551 10 5 EFBEHN CN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1c1ccccc1 ZINC000596179225 479183271 /nfs/dbraw/zinc/18/32/71/479183271.db2.gz OPOISLJWYVPQCP-DOTOQJQBSA-N 0 3 340.383 2.551 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@]2(CC2(F)F)C1 ZINC000593119345 479186916 /nfs/dbraw/zinc/18/69/16/479186916.db2.gz WCNMHTHUGWMLHK-OAHLLOKOSA-N 0 3 339.342 2.963 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@]2(CC2(F)F)C1 ZINC000593119344 479187317 /nfs/dbraw/zinc/18/73/17/479187317.db2.gz WCNMHTHUGWMLHK-HNNXBMFYSA-N 0 3 339.342 2.963 10 5 EFBEHN Cc1c(NC(=O)CCN2CC[C@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000593118908 479187460 /nfs/dbraw/zinc/18/74/60/479187460.db2.gz SXHXRUPHYQCHQZ-HNNXBMFYSA-N 0 3 339.342 2.963 10 5 EFBEHN O=c1[nH]cnc2cc(NC[C@@H]3CCN3C3CCCC3)c([N+](=O)[O-])cc21 ZINC000599165728 479190886 /nfs/dbraw/zinc/19/08/86/479190886.db2.gz RMVYFQHEQSMNBG-LBPRGKRZSA-N 0 3 343.387 2.672 10 5 EFBEHN O=[N+]([O-])c1cccc(Cl)c1N1CCC(N2CCCOCC2)CC1 ZINC000596268433 479232824 /nfs/dbraw/zinc/23/28/24/479232824.db2.gz KKOVCBBNRMIGPU-UHFFFAOYSA-N 0 3 339.823 2.939 10 5 EFBEHN COC(=O)c1c(Cl)c(NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000596275430 479235846 /nfs/dbraw/zinc/23/58/46/479235846.db2.gz RYIDXGBUFRQQKQ-UHFFFAOYSA-N 0 3 327.768 2.541 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@]1(CO)CCCC(C)(C)C1 ZINC000599597136 479346277 /nfs/dbraw/zinc/34/62/77/479346277.db2.gz USYWBMHLBKOJTI-SFHVURJKSA-N 0 3 349.431 2.763 10 5 EFBEHN Cn1ncc2c1CC(C)(C)CN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000596598616 479353340 /nfs/dbraw/zinc/35/33/40/479353340.db2.gz IYGIARMTPFHGIH-UHFFFAOYSA-N 0 3 328.416 2.955 10 5 EFBEHN O=C(Nc1cccc([N+](=O)[O-])c1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000596618885 479360385 /nfs/dbraw/zinc/36/03/85/479360385.db2.gz DMQRGZWAURPNMV-NEPJUHHUSA-N 0 3 348.277 2.517 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000599662775 479377939 /nfs/dbraw/zinc/37/79/39/479377939.db2.gz XJLWZOAQEHGAOZ-ZACQAIPSSA-N 0 3 348.399 2.637 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000599663472 479378773 /nfs/dbraw/zinc/37/87/73/479378773.db2.gz ZXLCPIFJLGTLEK-RRFJBIMHSA-N 0 3 348.399 2.637 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000599663471 479378791 /nfs/dbraw/zinc/37/87/91/479378791.db2.gz ZXLCPIFJLGTLEK-RBSFLKMASA-N 0 3 348.399 2.637 10 5 EFBEHN O=C1[C@@H](N2CCCC3(CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599673843 479384134 /nfs/dbraw/zinc/38/41/34/479384134.db2.gz ZPRCDYGKVUVRST-INIZCTEOSA-N 0 3 329.400 2.966 10 5 EFBEHN Nc1cc(NC[C@@H](c2ccco2)N2CCCC2)cc(CO)c1[N+](=O)[O-] ZINC000611525082 479404674 /nfs/dbraw/zinc/40/46/74/479404674.db2.gz HZBZNACIXZVVRW-HNNXBMFYSA-N 0 3 346.387 2.511 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](OCCN3CCCCC3)C2)n1 ZINC000611617444 479430768 /nfs/dbraw/zinc/43/07/68/479430768.db2.gz VFHBDQSZHZBCGS-MRXNPFEDSA-N 0 3 348.447 2.688 10 5 EFBEHN CN1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829844 479442732 /nfs/dbraw/zinc/44/27/32/479442732.db2.gz MSNUKFLVBYSELX-LBPRGKRZSA-N 0 3 343.387 2.606 10 5 EFBEHN CC(C)N(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832893 479444738 /nfs/dbraw/zinc/44/47/38/479444738.db2.gz MPMRKBQXSYSUET-UHFFFAOYSA-N 0 3 345.403 2.947 10 5 EFBEHN COc1ccc(NC(=O)NC[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000596833071 479446586 /nfs/dbraw/zinc/44/65/86/479446586.db2.gz VTLYGXSJALNXIK-GFCCVEGCSA-N 0 3 336.392 2.598 10 5 EFBEHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599839713 479449151 /nfs/dbraw/zinc/44/91/51/479449151.db2.gz PFLBLOLRPIOYCW-LBPRGKRZSA-N 0 3 343.387 2.701 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000618455942 479452898 /nfs/dbraw/zinc/45/28/98/479452898.db2.gz QPAYRLDALLFEKB-ZDUSSCGKSA-N 0 3 337.807 2.771 10 5 EFBEHN Cc1nccc([C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000604472759 479523166 /nfs/dbraw/zinc/52/31/66/479523166.db2.gz GSPBLUUHMVSVQX-HNNXBMFYSA-N 0 3 342.399 2.952 10 5 EFBEHN C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@@H](c1ccccc1)N(C)C ZINC000589598039 479544618 /nfs/dbraw/zinc/54/46/18/479544618.db2.gz CZRQRAMDNJNZDS-SJCJKPOMSA-N 0 3 344.415 2.773 10 5 EFBEHN CC[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCCO1 ZINC000594044955 479564200 /nfs/dbraw/zinc/56/42/00/479564200.db2.gz RKUOQYQSHPQYAJ-GDBMZVCRSA-N 0 3 335.404 2.779 10 5 EFBEHN COC(=O)Cc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000600186178 479571139 /nfs/dbraw/zinc/57/11/39/479571139.db2.gz BCPYJJOMBGLLRV-UHFFFAOYSA-N 0 3 328.368 2.909 10 5 EFBEHN COC(=O)CC(C)(C)C[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597117427 479580220 /nfs/dbraw/zinc/58/02/20/479580220.db2.gz PFSPHBUSOHQHBU-LLVKDONJSA-N 0 3 348.403 2.929 10 5 EFBEHN CN1C[C@H]2[C@@H](CCN2Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590183921 479614827 /nfs/dbraw/zinc/61/48/27/479614827.db2.gz DWIPWEVYHVRPCK-HZMBPMFUSA-N 0 3 329.322 2.750 10 5 EFBEHN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1CN(C)C1 ZINC000597203823 479618542 /nfs/dbraw/zinc/61/85/42/479618542.db2.gz YBXTZPFAOHOURE-UHFFFAOYSA-N 0 3 332.429 2.712 10 5 EFBEHN C[C@@H]1[C@H](N(C)C)CCN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000615303187 479652096 /nfs/dbraw/zinc/65/20/96/479652096.db2.gz GHFCTHZDBLHTQR-FZKQIMNGSA-N 0 3 349.434 2.846 10 5 EFBEHN CCOc1ccc(C(=O)N[C@H](CC)CN2CCCC2)cc1[N+](=O)[O-] ZINC000609833891 480211054 /nfs/dbraw/zinc/21/10/54/480211054.db2.gz ZPQKBODHTUXPLJ-CQSZACIVSA-N 0 3 335.404 2.598 10 5 EFBEHN COc1cc(C[NH2+]C[C@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000191675934 533884411 /nfs/dbraw/zinc/88/44/11/533884411.db2.gz KEPKYLWJUZGILV-KRWDZBQOSA-N 0 3 338.404 2.730 10 5 EFBEHN C[C@H](NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000283400952 518183321 /nfs/dbraw/zinc/18/33/21/518183321.db2.gz QHCIREKTZJUNKZ-YSVLISHTSA-N 0 3 334.416 2.813 10 5 EFBEHN CCOc1ccc(C(=O)N(C)C[C@@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000176979546 520890735 /nfs/dbraw/zinc/89/07/35/520890735.db2.gz JSQBLQCKKMKKOW-AWEZNQCLSA-N 0 3 335.404 2.550 10 5 EFBEHN CCOc1ccc(C(=O)N[C@H](CC(C)C)CN(C)C)cc1[N+](=O)[O-] ZINC000077729619 520915818 /nfs/dbraw/zinc/91/58/18/520915818.db2.gz PLJWOMGAYOKTLK-CQSZACIVSA-N 0 3 337.420 2.700 10 5 EFBEHN CC[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090685102 522427460 /nfs/dbraw/zinc/42/74/60/522427460.db2.gz GCIKUZPBDUEFKG-SJORKVTESA-N 0 3 346.431 2.926 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CCCC[C@H]1C ZINC000156104746 522978735 /nfs/dbraw/zinc/97/87/35/522978735.db2.gz VZBYORIEMIIKJT-GFCCVEGCSA-N 0 3 336.392 2.599 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000165667529 524905868 /nfs/dbraw/zinc/90/58/68/524905868.db2.gz UWVPYXGRHHQQHS-MRXNPFEDSA-N 0 3 333.432 2.984 10 5 EFBEHN Cc1nc(C[C@@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000195518232 526920396 /nfs/dbraw/zinc/92/03/96/526920396.db2.gz PIOTWPALZABBLS-HNNXBMFYSA-N 0 3 330.388 2.783 10 5 EFBEHN O=[N+]([O-])c1ccn(CCN2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000120371910 527406995 /nfs/dbraw/zinc/40/69/95/527406995.db2.gz GBKXITQKZCQMHR-AWEZNQCLSA-N 0 3 336.779 2.598 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000184199275 527526094 /nfs/dbraw/zinc/52/60/94/527526094.db2.gz JNJJPSQWVPHYAB-RGCHEUQESA-N 0 3 331.416 2.939 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000174533085 529066048 /nfs/dbraw/zinc/06/60/48/529066048.db2.gz NSNNOPZJDWWYQG-GFCCVEGCSA-N 0 3 325.796 2.805 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000174533295 529068397 /nfs/dbraw/zinc/06/83/97/529068397.db2.gz JQCIZLHGTYAKTB-GFCCVEGCSA-N 0 3 325.796 2.805 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000174533063 529096985 /nfs/dbraw/zinc/09/69/85/529096985.db2.gz DNGMJWUNMUJXKC-LBPRGKRZSA-N 0 3 325.796 2.805 10 5 EFBEHN CC[C@@H](NCCC(=O)Nc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC000181530643 529160006 /nfs/dbraw/zinc/16/00/06/529160006.db2.gz TXUGQMJOEWIIHD-CQSZACIVSA-N 0 3 332.360 2.961 10 5 EFBEHN CCN(CC)C(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000350022406 535397528 /nfs/dbraw/zinc/39/75/28/535397528.db2.gz XQGMOMQLPVUJTJ-UHFFFAOYSA-N 0 3 333.432 2.984 10 5 EFBEHN COc1ccc(CNCC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000345011743 536891317 /nfs/dbraw/zinc/89/13/17/536891317.db2.gz LVFRSQJKLJMDMD-CQSZACIVSA-N 0 3 344.367 2.923 10 5 EFBEHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594046577 546379284 /nfs/dbraw/zinc/37/92/84/546379284.db2.gz WMECYDVKHLHPOS-JTQLQIEISA-N 0 3 341.358 2.997 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2cnn(CN3CCC[C@@H]4COCC[C@@H]43)c2)cc1 ZINC000756892439 575797489 /nfs/dbraw/zinc/79/74/89/575797489.db2.gz WXJDLKHZERHJRO-QAPCUYQASA-N 0 3 342.399 2.917 10 5 EFBEHN CCCCCC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000759391483 575890717 /nfs/dbraw/zinc/89/07/17/575890717.db2.gz YIXKJOJXAOCLAO-ZBFHGGJFSA-N 0 3 336.436 2.807 10 5 EFBEHN C[C@@H]1CCC[C@@H](C)N1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761893880 576226312 /nfs/dbraw/zinc/22/63/12/576226312.db2.gz KRIGQJIAWKWNTI-VXGBXAGGSA-N 0 3 348.403 2.601 10 5 EFBEHN C[C@H]1CCC[C@H](C)N1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761893870 576226331 /nfs/dbraw/zinc/22/63/31/576226331.db2.gz KRIGQJIAWKWNTI-RYUDHWBXSA-N 0 3 348.403 2.601 10 5 EFBEHN COc1cc(F)c([N+](=O)[O-])c(NCCCN2CCCO[C@@H](C)C2)c1 ZINC000763052301 576357382 /nfs/dbraw/zinc/35/73/82/576357382.db2.gz AQSMGNJURRKOCT-LBPRGKRZSA-N 0 3 341.383 2.655 10 5 EFBEHN COc1cc(F)c([N+](=O)[O-])c(NCCCN2CCCO[C@H](C)C2)c1 ZINC000763052289 576357495 /nfs/dbraw/zinc/35/74/95/576357495.db2.gz AQSMGNJURRKOCT-GFCCVEGCSA-N 0 3 341.383 2.655 10 5 EFBEHN Cc1nn(CN2CCC[C@@H]3COCC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000765081869 577004770 /nfs/dbraw/zinc/00/47/70/577004770.db2.gz RDPKSMJUAXHQLV-CZUORRHYSA-N 0 3 330.388 2.711 10 5 EFBEHN CC[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000765849313 577082678 /nfs/dbraw/zinc/08/26/78/577082678.db2.gz OCXUJOZZLLJAQM-HZPDHXFCSA-N 0 3 332.404 2.719 10 5 EFBEHN Cc1ccsc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001691244212 1248566723 /nfs/dbraw/zinc/56/67/23/1248566723.db2.gz BPYCKAOXGDDLHE-UHFFFAOYSA-N 0 3 333.413 2.827 10 5 EFBEHN O=[N+]([O-])c1ccccc1/C=C/CNCC[S@](=O)CC(F)(F)F ZINC000850348513 1250444110 /nfs/dbraw/zinc/44/41/10/1250444110.db2.gz NRINBGFDUTWDIV-YXMLYAQVSA-N 0 3 336.335 2.509 10 5 EFBEHN COc1cc(CNCCC2SCCS2)c([N+](=O)[O-])cc1OC ZINC000850407759 1250470231 /nfs/dbraw/zinc/47/02/31/1250470231.db2.gz PMQCOXNCZAMPOF-UHFFFAOYSA-N 0 3 344.458 2.898 10 5 EFBEHN CC(=O)NCc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000850484713 1250499889 /nfs/dbraw/zinc/49/98/89/1250499889.db2.gz OVGBXOCMQDHSAG-LBPRGKRZSA-N 0 3 342.399 2.664 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(C)(F)F ZINC001691578192 1251787090 /nfs/dbraw/zinc/78/70/90/1251787090.db2.gz OQYIYPBVGSQBME-UHFFFAOYSA-N 0 3 343.374 2.824 10 5 EFBEHN C[C@@H]1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000922557329 1266253442 /nfs/dbraw/zinc/25/34/42/1266253442.db2.gz OEHUDWNIUGSRKS-ABAIWWIYSA-N 0 3 332.429 2.901 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(OC)CCSC1 ZINC000922572044 1266276132 /nfs/dbraw/zinc/27/61/32/1266276132.db2.gz RDXBBHQHULCTBX-HNNXBMFYSA-N 0 3 326.418 2.605 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1occc1C ZINC001273266905 1265262716 /nfs/dbraw/zinc/26/27/16/1265262716.db2.gz FDOZHWVOIRKYPW-UHFFFAOYSA-N 0 3 331.372 2.748 10 5 EFBEHN COc1cc(CNC[C@@H]2CCCC3(CCC3)O2)c([N+](=O)[O-])cc1O ZINC000922814591 1266922633 /nfs/dbraw/zinc/92/26/33/1266922633.db2.gz YKYYIDRMXHVHPX-ZDUSSCGKSA-N 0 3 336.388 2.890 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)cc1CNCC1(O)Cc2ccccc2C1 ZINC000740006291 1268787702 /nfs/dbraw/zinc/78/77/02/1268787702.db2.gz JNZBFPMHXGAXIF-UHFFFAOYSA-N 0 3 332.787 2.868 10 5 EFBEHN Cc1ccc2c(c1C)OC[C@@H]2NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819013609 1276588301 /nfs/dbraw/zinc/58/83/01/1276588301.db2.gz DUJIFSHONSMQON-DLBZAZTESA-N 0 3 328.368 2.968 10 5 EFBEHN C/C(=C/C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000844642732 1279163473 /nfs/dbraw/zinc/16/34/73/1279163473.db2.gz KNLSWDBDEPQKED-HQZAUCPKSA-N 0 3 331.416 2.938 10 5 EFBEHN C/C(=C\C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000844642734 1279163807 /nfs/dbraw/zinc/16/38/07/1279163807.db2.gz KNLSWDBDEPQKED-XUNCZOGOSA-N 0 3 331.416 2.938 10 5 EFBEHN COCc1nc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])co1 ZINC000845873191 1279900999 /nfs/dbraw/zinc/90/09/99/1279900999.db2.gz BWZSTGSWWUQNLE-LKFCYVNXSA-N 0 3 338.291 2.523 10 5 EFBEHN CC([C@@H](OC(=O)[C@@H](C)c1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845875770 1279902291 /nfs/dbraw/zinc/90/22/91/1279902291.db2.gz CCADGYWLQUIBAF-ZIBATOQPSA-N 0 3 335.335 2.612 10 5 EFBEHN C[C@H](N[C@H](CCO)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062017 1287416482 /nfs/dbraw/zinc/41/64/82/1287416482.db2.gz JGHMDYGEMDSFTQ-SMDDNHRTSA-N 0 3 326.368 2.562 10 5 EFBEHN COC(=O)N1CCC(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872071679 1287419403 /nfs/dbraw/zinc/41/94/03/1287419403.db2.gz UVHVAUDLVWUFRS-NSHDSACASA-N 0 3 339.367 2.863 10 5 EFBEHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCn1ccnn1 ZINC000811489201 1284346566 /nfs/dbraw/zinc/34/65/66/1284346566.db2.gz ZOSQLRUFVAOSNV-UHFFFAOYSA-N 0 3 330.175 2.673 10 5 EFBEHN O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000747833252 1285585014 /nfs/dbraw/zinc/58/50/14/1285585014.db2.gz VEOCGIKXNUINLZ-ZIAGYGMSSA-N 0 3 330.388 2.651 10 5 EFBEHN CC(COC(=O)Cc1ccc(Br)c(Cl)c1)[N+](=O)[O-] ZINC000813100739 1285651737 /nfs/dbraw/zinc/65/17/37/1285651737.db2.gz WGFTYFGSAPUCPT-ZETCQYMHSA-N 0 3 336.569 2.853 10 5 EFBEHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1Cc1ccccc1 ZINC000813104649 1285653787 /nfs/dbraw/zinc/65/37/87/1285653787.db2.gz FQVKUVKZFQEPTM-CYBMUJFWSA-N 0 3 331.372 2.706 10 5 EFBEHN CC(COC(=O)CSCc1cc(-c2cccs2)on1)[N+](=O)[O-] ZINC000813104666 1285654089 /nfs/dbraw/zinc/65/40/89/1285654089.db2.gz FRVVERFBZRJHTO-VIFPVBQESA-N 0 3 342.398 2.845 10 5 EFBEHN CC(COC(=O)Cc1cc(Cl)ccc1Br)[N+](=O)[O-] ZINC000813106072 1285654565 /nfs/dbraw/zinc/65/45/65/1285654565.db2.gz XSAWSVWVXWWSPV-SSDOTTSWSA-N 0 3 336.569 2.853 10 5 EFBEHN CC(COC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)[N+](=O)[O-] ZINC000813106735 1285677472 /nfs/dbraw/zinc/67/74/72/1285677472.db2.gz HFCZGSLBIHIBTF-SECBINFHSA-N 0 3 343.261 2.713 10 5 EFBEHN CC(COC(=O)C1(c2ccccc2Cl)CCOCC1)[N+](=O)[O-] ZINC000813110886 1285682987 /nfs/dbraw/zinc/68/29/87/1285682987.db2.gz LLWXMVJMMQGZMV-NSHDSACASA-N 0 3 327.764 2.597 10 5 EFBEHN Cc1ccc(/C=C/C(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000813113645 1285683683 /nfs/dbraw/zinc/68/36/83/1285683683.db2.gz SBOVTCGPUVLWKS-BRAIEQGRSA-N 0 3 328.162 2.979 10 5 EFBEHN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC001136820620 1289531648 /nfs/dbraw/zinc/53/16/48/1289531648.db2.gz AXPQJCZOBAOWIL-LBPRGKRZSA-N 0 3 337.807 2.949 10 5 EFBEHN C[C@H](CN(Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCOCC1 ZINC001192387440 1292885777 /nfs/dbraw/zinc/88/57/77/1292885777.db2.gz CAYJGCQGBBPSSX-HNNXBMFYSA-N 0 3 333.432 2.528 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1Cc2c[nH]nc2[C@H](C)C1 ZINC001196789822 1294365901 /nfs/dbraw/zinc/36/59/01/1294365901.db2.gz OKKWZLTZFDAUBW-GFCCVEGCSA-N 0 3 343.387 2.574 10 5 EFBEHN COC(=O)N1CCC[C@@H]([C@H](C)NCc2c(F)cccc2[N+](=O)[O-])C1 ZINC000775818390 1294874440 /nfs/dbraw/zinc/87/44/40/1294874440.db2.gz XFKORQBKQVNJPH-NWDGAFQWSA-N 0 3 339.367 2.690 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](c2cn(C)nn2)C1 ZINC001198612302 1295147413 /nfs/dbraw/zinc/14/74/13/1295147413.db2.gz NDSJLMJFIAANLV-ZIAGYGMSSA-N 0 3 329.404 2.972 10 5 EFBEHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000931627308 1297358523 /nfs/dbraw/zinc/35/85/23/1297358523.db2.gz ZMIYUBZZHAYHGL-ONGXEEELSA-N 0 3 326.784 2.771 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC000852086962 1299542984 /nfs/dbraw/zinc/54/29/84/1299542984.db2.gz YNLAYWHOICTEEL-CRAIPNDOSA-N 0 3 327.384 2.903 10 5 EFBEHN Cc1cc(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)oc1C ZINC001273956760 1300739414 /nfs/dbraw/zinc/73/94/14/1300739414.db2.gz LLEYCAGTJNNHLP-ONEGZZNKSA-N 0 3 343.383 2.880 10 5 EFBEHN C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccns1 ZINC000860057558 1301686368 /nfs/dbraw/zinc/68/63/68/1301686368.db2.gz VFMSAQQZRIOITE-SNVBAGLBSA-N 0 3 348.384 2.700 10 5 EFBEHN CCOc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871149909 1305836909 /nfs/dbraw/zinc/83/69/09/1305836909.db2.gz ITXCJXFZIRGYMA-UHFFFAOYSA-N 0 3 335.404 2.550 10 5 EFBEHN Cn1cc([N+](=O)[O-])c(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)n1 ZINC001162597743 1312132391 /nfs/dbraw/zinc/13/23/91/1312132391.db2.gz KDDFIVSYARHARD-SMDDNHRTSA-N 0 3 335.433 2.885 10 5 EFBEHN CC[C@@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC001230515620 1312251942 /nfs/dbraw/zinc/25/19/42/1312251942.db2.gz WRZWCLKIFYDPOC-BRWVUGGUSA-N 0 3 346.431 2.924 10 5 EFBEHN NC(=O)CC1CC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000903261645 1312517465 /nfs/dbraw/zinc/51/74/65/1312517465.db2.gz ZRYMNWDBFTULRO-NSRCDFIJSA-N 0 3 339.395 2.928 10 5 EFBEHN O=C(NCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccoc1 ZINC001265154195 1316741175 /nfs/dbraw/zinc/74/11/75/1316741175.db2.gz WPRPVDJHAPFIHX-UHFFFAOYSA-N 0 3 343.383 2.972 10 5 EFBEHN CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC001298169796 1323453144 /nfs/dbraw/zinc/45/31/44/1323453144.db2.gz JLOYWOXYDNNBJI-UHFFFAOYSA-N 0 3 331.416 2.614 10 5 EFBEHN CN(C)Cc1ccccc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001298489882 1323548624 /nfs/dbraw/zinc/54/86/24/1323548624.db2.gz KOHVCXSIXPAPAH-UHFFFAOYSA-N 0 3 331.347 2.977 10 5 EFBEHN CN(CCCNC(=O)C1CC2(CC2)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001316847571 1324688369 /nfs/dbraw/zinc/68/83/69/1324688369.db2.gz BSYQVZVYIQWIBH-UHFFFAOYSA-N 0 3 331.416 2.723 10 5 EFBEHN O=C(CCN1CCC(c2ncco2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001307991031 1324788400 /nfs/dbraw/zinc/78/84/00/1324788400.db2.gz YZQWUERVNVUQHA-UHFFFAOYSA-N 0 3 344.371 2.791 10 5 EFBEHN C[C@@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC001333027833 1331068778 /nfs/dbraw/zinc/06/87/78/1331068778.db2.gz AXQMZQDMHGFGRD-NOZJJQNGSA-N 0 3 329.194 2.872 10 5 EFBEHN C[C@@H]1COCC[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001335941886 1331418782 /nfs/dbraw/zinc/41/87/82/1331418782.db2.gz KTRCKGVLAGKJKN-BXKDBHETSA-N 0 3 329.194 2.872 10 5 EFBEHN COC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001346110375 1332600051 /nfs/dbraw/zinc/60/00/51/1332600051.db2.gz PXMFCBATMMNYQJ-SJORKVTESA-N 0 3 334.347 2.745 10 5 EFBEHN C[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)N1[C@H](C)CC[C@H]1C ZINC001350800920 1333135385 /nfs/dbraw/zinc/13/53/85/1333135385.db2.gz DINXOBOKGAYNKH-GMTAPVOTSA-N 0 3 341.358 2.751 10 5 EFBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)Cc2ccccc2)n1 ZINC001351222438 1333196967 /nfs/dbraw/zinc/19/69/67/1333196967.db2.gz BLFNCQPVGDEVJV-UHFFFAOYSA-N 0 3 342.399 2.502 10 5 EFBEHN CC(C)[C@@H]1CCCN1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475709 1334735097 /nfs/dbraw/zinc/73/50/97/1334735097.db2.gz STEKXDMPUPUAQV-IRXDYDNUSA-N 0 3 331.416 2.989 10 5 EFBEHN CN(CC1CCCC1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848476524 1334736429 /nfs/dbraw/zinc/73/64/29/1334736429.db2.gz ANQYWTNVWJJNSB-QGZVFWFLSA-N 0 3 331.416 2.990 10 5 EFBEHN C[C@@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561601 1334796157 /nfs/dbraw/zinc/79/61/57/1334796157.db2.gz AEMGMFKMPPUMRR-RWMBFGLXSA-N 0 3 341.839 2.836 10 5 EFBEHN O=C1O[C@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848570536 1334799281 /nfs/dbraw/zinc/79/92/81/1334799281.db2.gz MAHNWYFUHTWVBU-ZBFHGGJFSA-N 0 3 331.372 2.545 10 5 EFBEHN C[C@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)N1CCCC1 ZINC001457529986 1395188455 /nfs/dbraw/zinc/18/84/55/1395188455.db2.gz AKFAOJFOJQCJTO-GFCCVEGCSA-N 0 3 342.399 2.544 10 5 EFBEHN C[C@@H]1Cc2n[nH]cc2CN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001460776240 1396253944 /nfs/dbraw/zinc/25/39/44/1396253944.db2.gz DFZMZHGGOSXDGD-CYBMUJFWSA-N 0 3 330.388 2.781 10 5 EFBEHN C/C(=C\C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001479280476 1397664906 /nfs/dbraw/zinc/66/49/06/1397664906.db2.gz HQMPPQJJSJKDDU-LPGRJVILSA-N 0 3 343.427 2.936 10 5 EFBEHN C/C(=C\C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001479353475 1397701790 /nfs/dbraw/zinc/70/17/90/1397701790.db2.gz HQMPPQJJSJKDDU-QNQREIATSA-N 0 3 343.427 2.936 10 5 EFBEHN CCN(CCCNC(=O)c1cc(C)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479836942 1397932909 /nfs/dbraw/zinc/93/29/09/1397932909.db2.gz LRTBTVMANUXSBH-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C)sn1 ZINC001497376529 1401336890 /nfs/dbraw/zinc/33/68/90/1401336890.db2.gz FNINFXLGGSRTMA-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)[nH]1 ZINC001497674582 1401541149 /nfs/dbraw/zinc/54/11/49/1401541149.db2.gz VTKSOYCMZRVTFI-UPHRSURJSA-N 0 3 348.790 2.652 10 5 EFBEHN CC(C)N1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001546325112 1412878335 /nfs/dbraw/zinc/87/83/35/1412878335.db2.gz KNYYSCUOZHHFMU-UHFFFAOYSA-N 0 3 325.796 2.805 10 5 EFBEHN COc1ccc2ncc([N+](=O)[O-])c(N3CCN(CC4CC4)CC3)c2c1 ZINC001559075633 1415222744 /nfs/dbraw/zinc/22/27/44/1415222744.db2.gz OYFHQSDDBJRTLN-UHFFFAOYSA-N 0 3 342.399 2.684 10 5 EFBEHN CCC(C)(C)N1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001565214191 1415391665 /nfs/dbraw/zinc/39/16/65/1415391665.db2.gz NKIQKCRLBNBFKS-UHFFFAOYSA-N 0 3 348.447 2.919 10 5 EFBEHN Cc1cncc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001566442090 1415547633 /nfs/dbraw/zinc/54/76/33/1415547633.db2.gz OVXVNUNOJPTABH-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN CCN(CCCNC(=O)c1ccns1)Cc1ccc([N+](=O)[O-])cc1 ZINC001566553307 1415637715 /nfs/dbraw/zinc/63/77/15/1415637715.db2.gz ZIZZONSCJIXWIU-UHFFFAOYSA-N 0 3 348.428 2.693 10 5 EFBEHN Cc1cc(C)c(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001567480039 1416154220 /nfs/dbraw/zinc/15/42/20/1416154220.db2.gz BWIWLCBDBOLUKZ-UHFFFAOYSA-N 0 3 331.372 2.666 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1sccc1F ZINC001567489097 1416157909 /nfs/dbraw/zinc/15/79/09/1416157909.db2.gz CSPDQQOVTRRRHS-UHFFFAOYSA-N 0 3 337.376 2.657 10 5 EFBEHN Cc1coc(C)c1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001567489143 1416158264 /nfs/dbraw/zinc/15/82/64/1416158264.db2.gz COPOYMXRDWUWLU-UHFFFAOYSA-N 0 3 331.372 2.666 10 5 EFBEHN CCN(CCCNC(=O)c1ocnc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001689925684 1417095894 /nfs/dbraw/zinc/09/58/94/1417095894.db2.gz XEOJTKXXVIDBMC-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN CN(CCCNC(=O)C(C)(C)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001712965984 1418303786 /nfs/dbraw/zinc/30/37/86/1418303786.db2.gz OGPFKHVETDOCGE-UHFFFAOYSA-N 0 3 333.432 2.969 10 5 EFBEHN Cc1cocc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001712965335 1418305079 /nfs/dbraw/zinc/30/50/79/1418305079.db2.gz RXKIDMMZUWGMPU-UHFFFAOYSA-N 0 3 331.372 2.748 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC001716265751 1418747981 /nfs/dbraw/zinc/74/79/81/1418747981.db2.gz PNVOJMXGKLAQAO-UPHRSURJSA-N 0 3 331.397 2.732 10 5 EFBEHN CCn1cccc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001716586102 1418918254 /nfs/dbraw/zinc/91/82/54/1418918254.db2.gz XHLSSVFPGCCLSL-UHFFFAOYSA-N 0 3 344.415 2.668 10 5 EFBEHN Cc1cocc1C(=O)N(C)CCCNCc1csc([N+](=O)[O-])c1 ZINC001723095285 1424422241 /nfs/dbraw/zinc/42/22/41/1424422241.db2.gz AVUWUASBWVPNIO-UHFFFAOYSA-N 0 3 337.401 2.810 10 5 EFBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)CC(C)(F)F ZINC001723116312 1424429264 /nfs/dbraw/zinc/42/92/64/1424429264.db2.gz PJFDNHPQGKFENQ-UHFFFAOYSA-N 0 3 335.376 2.640 10 5 EFBEHN CCCCC(=O)NC1(CNCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001724913071 1425128496 /nfs/dbraw/zinc/12/84/96/1425128496.db2.gz YKKORVRNIGKUKR-UHFFFAOYSA-N 0 3 349.431 2.540 10 5 EFBEHN CC(C)(C)OC1CC(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000341627192 724200738 /nfs/dbraw/zinc/20/07/38/724200738.db2.gz PROXSIKGXGITGA-GRTSSRMGSA-N 0 3 334.420 2.822 10 5 EFBEHN CN1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCC1(C)C ZINC000913722216 725832675 /nfs/dbraw/zinc/83/26/75/725832675.db2.gz IVMQKUQSLFBLHE-UHFFFAOYSA-N 0 3 343.786 2.944 10 5 EFBEHN CCN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C)C1 ZINC000912308343 727693425 /nfs/dbraw/zinc/69/34/25/727693425.db2.gz XKRUBHZMVCRABI-AWEZNQCLSA-N 0 3 339.823 2.733 10 5 EFBEHN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCN1C[C@@H](C)O ZINC000172179135 728572744 /nfs/dbraw/zinc/57/27/44/728572744.db2.gz YBBQBCOLENTVNK-OCCSQVGLSA-N 0 3 341.839 2.525 10 5 EFBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)c1ccoc1 ZINC001570098140 1085946266 /nfs/dbraw/zinc/94/62/66/1085946266.db2.gz RUJKHEQLWOLZFX-UHFFFAOYSA-N 0 3 329.356 2.630 10 5 EFBEHN CN(CCCN(C)C(=O)c1ccccn1)Cc1cccc([N+](=O)[O-])c1 ZINC001570188961 1086039290 /nfs/dbraw/zinc/03/92/90/1086039290.db2.gz GXTBOAYSHBGKLA-UHFFFAOYSA-N 0 3 342.399 2.584 10 5 EFBEHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001648646142 1092242861 /nfs/dbraw/zinc/24/28/61/1092242861.db2.gz XKJWMRLOZHEVNL-ZSHCYNCHSA-N 0 3 347.415 2.892 10 5 EFBEHN CC(C)[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001648650106 1092245791 /nfs/dbraw/zinc/24/57/91/1092245791.db2.gz UFMNERPAAFIJMG-QWHCGFSZSA-N 0 3 337.445 2.991 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1CC2(CCC2)C1 ZINC001267416920 1094494904 /nfs/dbraw/zinc/49/49/04/1094494904.db2.gz ITGDISVJBKFMJD-UHFFFAOYSA-N 0 3 331.416 2.723 10 5 EFBEHN CCc1occc1C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001268536460 1097143111 /nfs/dbraw/zinc/14/31/11/1097143111.db2.gz MABVXAQXEOOZRI-ONEGZZNKSA-N 0 3 343.383 2.826 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C1CC(C)(C)C1 ZINC001268790007 1097637725 /nfs/dbraw/zinc/63/77/25/1097637725.db2.gz IUCVGJFCUNHYDI-UHFFFAOYSA-N 0 3 333.432 2.969 10 5 EFBEHN COC(=O)/C=C/c1ccc(NC[C@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC001613027382 1099089395 /nfs/dbraw/zinc/08/93/95/1099089395.db2.gz WDYKYHJNTROTPJ-RCQQVGEISA-N 0 3 333.388 2.677 10 5 EFBEHN CC(C)c1[nH]ccc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001481270470 1099339199 /nfs/dbraw/zinc/33/91/99/1099339199.db2.gz WJIWMTDWGXPNAP-UHFFFAOYSA-N 0 3 344.415 2.908 10 5 EFBEHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H](c1ccccc1)N(C)C ZINC001625652013 1099836586 /nfs/dbraw/zinc/83/65/86/1099836586.db2.gz RUBAKHSRVMZOJZ-SJCJKPOMSA-N 0 3 342.399 2.598 10 5 EFBEHN CCOc1ccc(C(=O)N[C@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC001632473875 1100476614 /nfs/dbraw/zinc/47/66/14/1100476614.db2.gz YWIXXJCVGUIHOS-AWEZNQCLSA-N 0 3 335.404 2.596 10 5 EFBEHN CC(C)N1CCC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001632477439 1100477625 /nfs/dbraw/zinc/47/76/25/1100477625.db2.gz LVWPFUNQWBSRBG-LLVKDONJSA-N 0 3 325.796 2.851 10 5 EFBEHN CCN1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C(C)(C)C1 ZINC001635808981 1100681681 /nfs/dbraw/zinc/68/16/81/1100681681.db2.gz LIBPAIZWXGUSGR-OAHLLOKOSA-N 0 3 331.372 2.801 10 5 EFBEHN COCCN1CC[C@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001639489453 1100954828 /nfs/dbraw/zinc/95/48/28/1100954828.db2.gz PUPUFBOINZJTMJ-NSHDSACASA-N 0 3 333.310 2.746 10 5 EFBEHN CCCN(CCN1CCCC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001639894175 1100993636 /nfs/dbraw/zinc/99/36/36/1100993636.db2.gz NXBZUDOMQUKGRF-UHFFFAOYSA-N 0 3 349.357 2.659 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001651495126 1101338967 /nfs/dbraw/zinc/33/89/67/1101338967.db2.gz MKZCYNFHKCVQBU-ZDUSSCGKSA-N 0 3 346.431 2.835 10 5 EFBEHN Cc1c(NC(=O)CCN2Cc3c[nH]nc3[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001654466428 1101720056 /nfs/dbraw/zinc/72/00/56/1101720056.db2.gz YYUPOHOWRFCMLH-NSHDSACASA-N 0 3 343.387 2.574 10 5 EFBEHN CC1(CC(=O)NC[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001656146999 1101976359 /nfs/dbraw/zinc/97/63/59/1101976359.db2.gz BOORSVHWBULZPO-OTVXOJSOSA-N 0 3 331.416 2.769 10 5 EFBEHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1(CF)CCC1 ZINC001656160868 1101981845 /nfs/dbraw/zinc/98/18/45/1101981845.db2.gz WNZUSVWGHRYLGY-OTVXOJSOSA-N 0 3 349.406 2.719 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H]1CCCn2nccc21 ZINC001659917389 1102578477 /nfs/dbraw/zinc/57/84/77/1102578477.db2.gz DBVONZXAZXPVLG-AWEZNQCLSA-N 0 3 343.387 2.553 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1(F)CCCCC1 ZINC001266952186 1102761220 /nfs/dbraw/zinc/76/12/20/1102761220.db2.gz FYYCBZUITAAKKX-UHFFFAOYSA-N 0 3 337.395 2.815 10 5 EFBEHN CCN(CCCNC(=O)c1ccoc1)Cc1cccc([N+](=O)[O-])c1 ZINC001660490352 1102796010 /nfs/dbraw/zinc/79/60/10/1102796010.db2.gz QYZVZFZILUOYHS-UHFFFAOYSA-N 0 3 331.372 2.830 10 5 EFBEHN CCN(CCCNC(=O)c1conc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001660586530 1102868050 /nfs/dbraw/zinc/86/80/50/1102868050.db2.gz PZTDCZLBKBMKBA-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN CN(CCCN(C)C(=O)C1=CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001673425584 1104220047 /nfs/dbraw/zinc/22/00/47/1104220047.db2.gz PLRCZZPGVZBRJD-UHFFFAOYSA-N 0 3 331.416 2.985 10 5 EFBEHN CC(C)(F)C(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCCC1 ZINC001666738159 1104991001 /nfs/dbraw/zinc/99/10/01/1104991001.db2.gz QJSMDXNTOCKSAY-UHFFFAOYSA-N 0 3 337.395 2.862 10 5 EFBEHN O=C(CCC(F)F)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001673189282 1105982856 /nfs/dbraw/zinc/98/28/56/1105982856.db2.gz GSDVHXUFWLEVKX-UHFFFAOYSA-N 0 3 341.358 2.769 10 5 EFBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)c1ccco1 ZINC001484621792 1113070910 /nfs/dbraw/zinc/07/09/10/1113070910.db2.gz IDZAKLIUKRZADM-UHFFFAOYSA-N 0 3 329.356 2.630 10 5 EFBEHN CC(C)(C)OCC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001484630760 1113079989 /nfs/dbraw/zinc/07/99/89/1113079989.db2.gz GPQBPUYRRXPGPU-UHFFFAOYSA-N 0 3 349.431 2.538 10 5 EFBEHN Cc1ccc([C@H](C)NCCNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000178021446 232061677 /nfs/dbraw/zinc/06/16/77/232061677.db2.gz NUWONUMJPRKEOH-AWEZNQCLSA-N 0 3 327.384 2.984 10 5 EFBEHN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCN2CCC[C@@H]2C1 ZINC000178545342 232247808 /nfs/dbraw/zinc/24/78/08/232247808.db2.gz DOJNEOGPCCTSLL-GFCCVEGCSA-N 0 3 343.305 2.534 10 5 EFBEHN O=[N+]([O-])c1cc(CNCCc2nnc3n2CCCCC3)ccc1Cl ZINC000067698158 215189845 /nfs/dbraw/zinc/18/98/45/215189845.db2.gz JFPICLZQZOVNFV-UHFFFAOYSA-N 0 3 349.822 2.898 10 5 EFBEHN CN(c1ncnc(OC2CCCCC2)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000040661235 213365169 /nfs/dbraw/zinc/36/51/69/213365169.db2.gz JGFSANRLEYDJEE-UHFFFAOYSA-N 0 3 349.435 2.627 10 5 EFBEHN C[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCO1 ZINC000183202065 234951234 /nfs/dbraw/zinc/95/12/34/234951234.db2.gz FFXFLMDPCOYMRO-ISTVAULSSA-N 0 3 341.795 2.732 10 5 EFBEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037040270 213131812 /nfs/dbraw/zinc/13/18/12/213131812.db2.gz WSIKXSGUDVDUJC-RDDDGLTNSA-N 0 3 330.182 2.669 10 5 EFBEHN CC(C)C(=O)N1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000236770926 535373000 /nfs/dbraw/zinc/37/30/00/535373000.db2.gz CQUQBGWGPPVHQE-UHFFFAOYSA-N 0 3 339.823 2.985 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000175658236 239280616 /nfs/dbraw/zinc/28/06/16/239280616.db2.gz NYRRSFFNVGXRKN-UHFFFAOYSA-N 0 3 348.428 2.564 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCC[C@@H](CO)C2)c1 ZINC000414586844 244243055 /nfs/dbraw/zinc/24/30/55/244243055.db2.gz UYFFJWJUFSUXBK-ZYHUDNBSSA-N 0 3 330.331 2.837 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000078870242 217135127 /nfs/dbraw/zinc/13/51/27/217135127.db2.gz LZMLDTKOCNKTJF-GHMZBOCLSA-N 0 3 325.796 2.803 10 5 EFBEHN CCOC(=O)CC1(NCc2ccc([N+](=O)[O-])c(OC)c2)CCCC1 ZINC000434615631 248169886 /nfs/dbraw/zinc/16/98/86/248169886.db2.gz NFYFHFNDVDWGLL-UHFFFAOYSA-N 0 3 336.388 2.959 10 5 EFBEHN CN(C)C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000444013682 250249962 /nfs/dbraw/zinc/24/99/62/250249962.db2.gz NGYJUGLIDYIYRN-UHFFFAOYSA-N 0 3 349.434 2.848 10 5 EFBEHN COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)N(C)C)cc1 ZINC000009216594 211053280 /nfs/dbraw/zinc/05/32/80/211053280.db2.gz QEJZUTMOWHESMQ-CYBMUJFWSA-N 0 3 349.412 2.698 10 5 EFBEHN CCc1ccc(NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000095418295 218357208 /nfs/dbraw/zinc/35/72/08/218357208.db2.gz IONWCFWAQFLRBK-SWLSCSKDSA-N 0 3 334.420 2.961 10 5 EFBEHN CCOc1ccc(C(=O)NC(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000457036880 255672634 /nfs/dbraw/zinc/67/26/34/255672634.db2.gz QLQRKOKHROYGMC-UHFFFAOYSA-N 0 3 335.404 2.598 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1cccc(OC)n1 ZINC000344970046 142105323 /nfs/dbraw/zinc/10/53/23/142105323.db2.gz RIGXCINITSUHEO-UHFFFAOYSA-N 0 3 331.372 2.729 10 5 EFBEHN CN(C[C@@H]1CC=CCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344033868 145351023 /nfs/dbraw/zinc/35/10/23/145351023.db2.gz FZGXFZZNIHYTAW-PBHICJAKSA-N 0 3 329.400 2.988 10 5 EFBEHN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CC=CCC1 ZINC000344076923 145362434 /nfs/dbraw/zinc/36/24/34/145362434.db2.gz WFMSIMWSWVNZJU-CQSZACIVSA-N 0 3 329.400 2.772 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CO)c1ccsc1 ZINC000352033167 146271959 /nfs/dbraw/zinc/27/19/59/146271959.db2.gz QYUVOMPWDPNLIQ-OAHLLOKOSA-N 0 3 349.412 2.617 10 5 EFBEHN COc1cc(CN[C@](C)(CO)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000352906065 146345921 /nfs/dbraw/zinc/34/59/21/146345921.db2.gz CKMMIADHTQIGPE-OAHLLOKOSA-N 0 3 348.346 2.701 10 5 EFBEHN Cc1cc(CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)on1 ZINC000353087444 146393446 /nfs/dbraw/zinc/39/34/46/146393446.db2.gz LCYFASYPROPMGQ-UHFFFAOYSA-N 0 3 341.371 2.624 10 5 EFBEHN COCC[C@H](COC)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353088039 146393592 /nfs/dbraw/zinc/39/35/92/146393592.db2.gz ZYVORLKAIWWWNR-CQSZACIVSA-N 0 3 334.372 2.996 10 5 EFBEHN COc1c(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000355803170 147068524 /nfs/dbraw/zinc/06/85/24/147068524.db2.gz RCHBTDOIOHZVDK-CHWSQXEVSA-N 0 3 335.404 2.596 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000360344690 148336340 /nfs/dbraw/zinc/33/63/40/148336340.db2.gz OJAXJCNOEGBGOP-INIZCTEOSA-N 0 3 327.384 2.933 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000123853121 222341780 /nfs/dbraw/zinc/34/17/80/222341780.db2.gz LKIUJNGLRQGUNA-NWDGAFQWSA-N 0 3 337.445 2.871 10 5 EFBEHN COc1cc(CNC[C@@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272438383 266265317 /nfs/dbraw/zinc/26/53/17/266265317.db2.gz OHUDAYZXSGHHIF-UWVGGRQHSA-N 0 3 330.331 2.993 10 5 EFBEHN Cc1cc(NCCCCN2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272790482 266382709 /nfs/dbraw/zinc/38/27/09/266382709.db2.gz CAZMPJYFKDPSPM-UHFFFAOYSA-N 0 3 344.415 2.976 10 5 EFBEHN COc1ccc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000272848389 266397089 /nfs/dbraw/zinc/39/70/89/266397089.db2.gz PWXFOASJNMPZJI-AAEUAGOBSA-N 0 3 336.392 2.550 10 5 EFBEHN COc1ccc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000272848392 266397272 /nfs/dbraw/zinc/39/72/72/266397272.db2.gz PWXFOASJNMPZJI-YPMHNXCESA-N 0 3 336.392 2.550 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275109630 266753517 /nfs/dbraw/zinc/75/35/17/266753517.db2.gz MVISZJIAZXXUPW-ZYHUDNBSSA-N 0 3 345.321 2.656 10 5 EFBEHN C[C@H]1CN(CCCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000277356421 267162721 /nfs/dbraw/zinc/16/27/21/267162721.db2.gz ARIDUMMIOIBQMH-STQMWFEESA-N 0 3 347.419 2.772 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000277677379 267231787 /nfs/dbraw/zinc/23/17/87/267231787.db2.gz YCQALBFPVABVBA-HNNXBMFYSA-N 0 3 347.415 2.694 10 5 EFBEHN COC[C@@H](O)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181039100 273043794 /nfs/dbraw/zinc/04/37/94/273043794.db2.gz RKLDRSKVUVNGJT-ROUUACIJSA-N 0 3 330.384 2.671 10 5 EFBEHN C[C@H](NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000283485480 273721322 /nfs/dbraw/zinc/72/13/22/273721322.db2.gz XMNWSHSFVRTPKC-QRTARXTBSA-N 0 3 334.416 2.813 10 5 EFBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000285453578 274002477 /nfs/dbraw/zinc/00/24/77/274002477.db2.gz YRNIJRZBRKAWIH-SFHVURJKSA-N 0 3 344.411 2.647 10 5 EFBEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178223492 276066787 /nfs/dbraw/zinc/06/67/87/276066787.db2.gz KXWGTODOPYQAAT-JSGCOSHPSA-N 0 3 329.404 2.975 10 5 EFBEHN CC(C)N(CCN1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000345980948 277567725 /nfs/dbraw/zinc/56/77/25/277567725.db2.gz CPPZQBNHXCLVTJ-UHFFFAOYSA-N 0 3 348.447 2.904 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(N(CCN(C)C)Cc2ccccn2)n1 ZINC000359081975 280398335 /nfs/dbraw/zinc/39/83/35/280398335.db2.gz ALOAGYDULNNHHL-UHFFFAOYSA-N 0 3 329.404 2.570 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000245524386 281022712 /nfs/dbraw/zinc/02/27/12/281022712.db2.gz NMVKYIIXOKHCQF-RVKKMQEKSA-N 0 3 333.432 2.617 10 5 EFBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000175048961 281192654 /nfs/dbraw/zinc/19/26/54/281192654.db2.gz HVQLIONIBKLLMG-WCQYABFASA-N 0 3 337.807 2.947 10 5 EFBEHN NC(=O)c1ccc(CN(C[C@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000152967695 293355212 /nfs/dbraw/zinc/35/52/12/293355212.db2.gz XUHHXHDTVAGIGY-MRXNPFEDSA-N 0 3 347.415 2.617 10 5 EFBEHN CO[C@@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000290579692 294125746 /nfs/dbraw/zinc/12/57/46/294125746.db2.gz PJIVFLOVHCGARQ-BBBLOLIVSA-N 0 3 329.784 2.588 10 5 EFBEHN CO[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290636657 294142046 /nfs/dbraw/zinc/14/20/46/294142046.db2.gz VNMJDJRPURCZPC-OPRDCNLKSA-N 0 3 329.784 2.588 10 5 EFBEHN C[C@H](N[C@@H]1CCOC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295202516 295281739 /nfs/dbraw/zinc/28/17/39/295281739.db2.gz KYRAWFUZGHSREB-TVQRCGJNSA-N 0 3 341.795 2.732 10 5 EFBEHN COc1ccccc1[C@H]1CNCCN1Cc1ccccc1[N+](=O)[O-] ZINC000261874621 295413209 /nfs/dbraw/zinc/41/32/09/295413209.db2.gz XTHIOHXHHVTBRS-QGZVFWFLSA-N 0 3 327.384 2.750 10 5 EFBEHN Cc1cc(Cl)c(C(=O)N2CCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000298461263 310992274 /nfs/dbraw/zinc/99/22/74/310992274.db2.gz RPYRVODWSOCSOF-LLVKDONJSA-N 0 3 325.796 2.723 10 5 EFBEHN O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000301728105 311155065 /nfs/dbraw/zinc/15/50/65/311155065.db2.gz RATMFQXIHOHMCH-KBPBESRZSA-N 0 3 339.823 2.674 10 5 EFBEHN O=[N+]([O-])c1ccc(CO)cc1NCC1CCN(c2ccncc2)CC1 ZINC000302018618 311172500 /nfs/dbraw/zinc/17/25/00/311172500.db2.gz DFKHJKBWWZHYEQ-UHFFFAOYSA-N 0 3 342.399 2.811 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412553746 311990286 /nfs/dbraw/zinc/99/02/86/311990286.db2.gz WYIQYTODGYVBBI-UHFFFAOYSA-N 0 3 332.335 2.751 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CNCCC3(F)F)o2)cc1 ZINC000414993542 312073608 /nfs/dbraw/zinc/07/36/08/312073608.db2.gz CMVMVWWFWXFQOR-HNNXBMFYSA-N 0 3 337.326 2.942 10 5 EFBEHN COC(=O)COc1ccc(CN2C[C@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000475724847 313226491 /nfs/dbraw/zinc/22/64/91/313226491.db2.gz WCCKBRFBBDTENG-HUUCEWRRSA-N 0 3 348.399 2.769 10 5 EFBEHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000492937262 314184352 /nfs/dbraw/zinc/18/43/52/314184352.db2.gz QPUOJZWIKHVJNF-DYVFJYSZSA-N 0 3 336.388 2.815 10 5 EFBEHN CC[C@@H](NC(=O)N(C)CCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000493278984 314301726 /nfs/dbraw/zinc/30/17/26/314301726.db2.gz GRVKOPRBRQNFGC-MRXNPFEDSA-N 0 3 334.420 2.783 10 5 EFBEHN O=C(c1ccc([N+](=O)[O-])cn1)N(CCN1CCCCCC1)C1CCC1 ZINC000515408931 315616064 /nfs/dbraw/zinc/61/60/64/315616064.db2.gz BXXFHEWIURFFJY-UHFFFAOYSA-N 0 3 346.431 2.861 10 5 EFBEHN CCN(C[C@@H]1CCCN1CC)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000548125645 318076251 /nfs/dbraw/zinc/07/62/51/318076251.db2.gz ARPREAONFNRUBZ-HNNXBMFYSA-N 0 3 348.447 2.730 10 5 EFBEHN COC(=O)c1cccc(OCc2ccc3c(c2)CNCC3)c1[N+](=O)[O-] ZINC000563961320 318834131 /nfs/dbraw/zinc/83/41/31/318834131.db2.gz ZHIYXBGRHKGNKB-UHFFFAOYSA-N 0 3 342.351 2.606 10 5 EFBEHN C[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000570956517 319529344 /nfs/dbraw/zinc/52/93/44/319529344.db2.gz SFZQWQDOEMUGJY-UONOGXRCSA-N 0 3 340.445 2.927 10 5 EFBEHN COc1cccc([N+](=O)[O-])c1NCc1ccnc(OCCN(C)C)c1 ZINC000580724419 324222007 /nfs/dbraw/zinc/22/20/07/324222007.db2.gz ASCNLPNULASNOC-UHFFFAOYSA-N 0 3 346.387 2.551 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000124032551 473205972 /nfs/dbraw/zinc/20/59/72/473205972.db2.gz ZHZTWCUJGWPROL-KRWDZBQOSA-N 0 3 327.384 2.936 10 5 EFBEHN Cc1nc(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000095966042 473233011 /nfs/dbraw/zinc/23/30/11/473233011.db2.gz OWSOHGRCOGBKKM-AEGPPILISA-N 0 3 334.420 2.600 10 5 EFBEHN CN(C)CCn1cc(Nc2ccc3ncccc3c2[N+](=O)[O-])cn1 ZINC000112077914 473241519 /nfs/dbraw/zinc/24/15/19/473241519.db2.gz WBHAFGSIKJORBN-UHFFFAOYSA-N 0 3 326.360 2.645 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000184877572 473261437 /nfs/dbraw/zinc/26/14/37/473261437.db2.gz KCLYPPAFFGTAII-WQGACYEGSA-N 0 3 337.395 2.682 10 5 EFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488863 473292547 /nfs/dbraw/zinc/29/25/47/473292547.db2.gz JDUHELZMFSUSRK-KRWDZBQOSA-N 0 3 340.427 2.944 10 5 EFBEHN C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000162237813 473320314 /nfs/dbraw/zinc/32/03/14/473320314.db2.gz OIZZYBLSENKOLB-KOLCDFICSA-N 0 3 329.194 2.872 10 5 EFBEHN Cc1c([C@H](C)NCCNC(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000162530427 473353131 /nfs/dbraw/zinc/35/31/31/473353131.db2.gz NIQMWXNSTNUOGM-AWEZNQCLSA-N 0 3 327.384 2.984 10 5 EFBEHN CCN1CCC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000171430808 473385437 /nfs/dbraw/zinc/38/54/37/473385437.db2.gz YTJBLEODUUXDAR-MRXNPFEDSA-N 0 3 348.447 2.999 10 5 EFBEHN CN(C)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000007816868 471640203 /nfs/dbraw/zinc/64/02/03/471640203.db2.gz NPNKEMVBRUECBA-KRWDZBQOSA-N 0 3 327.384 2.556 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN(C)Cc1ccccc1 ZINC000053639334 472026440 /nfs/dbraw/zinc/02/64/40/472026440.db2.gz NQMDMGYUXQTNQV-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000068132374 472139156 /nfs/dbraw/zinc/13/91/56/472139156.db2.gz FDCOERUCZSCMNK-INIZCTEOSA-N 0 3 331.416 2.994 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068203188 472149053 /nfs/dbraw/zinc/14/90/53/472149053.db2.gz NUGHSCDBFLZFDZ-CQSZACIVSA-N 0 3 344.415 2.540 10 5 EFBEHN CN(C)CCN1C(=O)c2cccc3cc4cc(N)ccc4c(c32)C1=O ZINC000027556565 472181157 /nfs/dbraw/zinc/18/11/57/472181157.db2.gz SSVDSGCXTCHMHE-UHFFFAOYSA-N 0 3 333.391 2.733 10 5 EFBEHN CN(C)CCNC(=O)c1cccc2nc3ccc4ncccc4c3nc21 ZINC000027849013 472198958 /nfs/dbraw/zinc/19/89/58/472198958.db2.gz DRTBQMWANUBJEP-UHFFFAOYSA-N 0 3 345.406 2.623 10 5 EFBEHN COCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000068911200 472263810 /nfs/dbraw/zinc/26/38/10/472263810.db2.gz YZVKZBKNHVJWFM-ZDUSSCGKSA-N 0 3 330.388 2.666 10 5 EFBEHN CCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000097162498 472469937 /nfs/dbraw/zinc/46/99/37/472469937.db2.gz QGHVMWIUMBROHW-UHFFFAOYSA-N 0 3 325.796 2.806 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000155614546 472581544 /nfs/dbraw/zinc/58/15/44/472581544.db2.gz OGNYNRNUALONIR-RISCZKNCSA-N 0 3 337.445 2.775 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000155677020 472593245 /nfs/dbraw/zinc/59/32/45/472593245.db2.gz KSSNUYPTNQRDDY-WBMJQRKESA-N 0 3 346.431 2.628 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130367477 472601864 /nfs/dbraw/zinc/60/18/64/472601864.db2.gz JWGVFKXCWGJXPG-ZDUSSCGKSA-N 0 3 344.415 2.849 10 5 EFBEHN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090224244 472609798 /nfs/dbraw/zinc/60/97/98/472609798.db2.gz MVAKXBFODJFOOC-HOTGVXAUSA-N 0 3 341.415 2.941 10 5 EFBEHN CC[C@H](NC(=O)NC[C@@H]1CCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000090591906 472641334 /nfs/dbraw/zinc/64/13/34/472641334.db2.gz KERKIAVSPRILCG-HOTGVXAUSA-N 0 3 334.420 2.829 10 5 EFBEHN COC(=O)/C=C/c1ccc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133534387 472815455 /nfs/dbraw/zinc/81/54/55/472815455.db2.gz OJVWFEQSXABDOP-MXCDDWKTSA-N 0 3 345.399 2.818 10 5 EFBEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159566509 473040048 /nfs/dbraw/zinc/04/00/48/473040048.db2.gz DNJJNYNDOGQESE-JSGCOSHPSA-N 0 3 343.383 2.941 10 5 EFBEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000159613839 473043729 /nfs/dbraw/zinc/04/37/29/473043729.db2.gz LLAXYIBNIBJQEV-GXTWGEPZSA-N 0 3 343.383 2.941 10 5 EFBEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000159613430 473043785 /nfs/dbraw/zinc/04/37/85/473043785.db2.gz LLAXYIBNIBJQEV-OCCSQVGLSA-N 0 3 343.383 2.941 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000122956382 473078271 /nfs/dbraw/zinc/07/82/71/473078271.db2.gz FCBMMIURZPFFLZ-ZDUSSCGKSA-N 0 3 336.392 2.551 10 5 EFBEHN CCN1CC[C@H](N(C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000160419666 473120656 /nfs/dbraw/zinc/12/06/56/473120656.db2.gz DAAYMNFBDTVYIX-YGRLFVJLSA-N 0 3 341.358 2.675 10 5 EFBEHN Cc1c(CN2CCCC[C@@H]2CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000109818955 473127822 /nfs/dbraw/zinc/12/78/22/473127822.db2.gz PVDPSYVLESYVRD-QGZVFWFLSA-N 0 3 333.432 2.590 10 5 EFBEHN Cc1sc(C(=O)NC[C@H]2CCCN2CC(C)C)cc1[N+](=O)[O-] ZINC000160557333 473141919 /nfs/dbraw/zinc/14/19/19/473141919.db2.gz BIHOUPAQITYHLX-GFCCVEGCSA-N 0 3 325.434 2.815 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052930657 473164664 /nfs/dbraw/zinc/16/46/64/473164664.db2.gz JQHRIVYOBKQYSJ-BBRMVZONSA-N 0 3 331.416 2.894 10 5 EFBEHN CCO[C@@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C12CCOCC2 ZINC000185655846 473481166 /nfs/dbraw/zinc/48/11/66/473481166.db2.gz RTBQDDHUYBIOBR-QWHCGFSZSA-N 0 3 326.418 2.720 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000127601981 473631305 /nfs/dbraw/zinc/63/13/05/473631305.db2.gz QZJWRLYIOSVLNR-RHSMWYFYSA-N 0 3 348.447 2.728 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000153676520 473636647 /nfs/dbraw/zinc/63/66/47/473636647.db2.gz OKCLJCHRJBYAEL-ZDUSSCGKSA-N 0 3 344.415 2.609 10 5 EFBEHN CSc1cccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000186571300 473691927 /nfs/dbraw/zinc/69/19/27/473691927.db2.gz OLJDTQSLYIEVGM-NEPJUHHUSA-N 0 3 337.445 2.871 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000281568299 473768774 /nfs/dbraw/zinc/76/87/74/473768774.db2.gz MBQKCUUVZXNHLE-CABCVRRESA-N 0 3 349.431 2.613 10 5 EFBEHN CN(Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193331501 473781560 /nfs/dbraw/zinc/78/15/60/473781560.db2.gz CEPRSKKFGPBIQE-OAHLLOKOSA-N 0 3 334.347 2.606 10 5 EFBEHN CN1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180169366 473816642 /nfs/dbraw/zinc/81/66/42/473816642.db2.gz GMGGGULPMSXVNC-HKUYNNGSSA-N 0 3 339.395 2.699 10 5 EFBEHN CC(C)c1nnc2n1C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173369323 473817819 /nfs/dbraw/zinc/81/78/19/473817819.db2.gz GNJFJOQTHWPMBO-OCCSQVGLSA-N 0 3 329.404 2.975 10 5 EFBEHN COc1ccc(CNCCc2nn(C)c3ccccc23)cc1[N+](=O)[O-] ZINC000187383414 473864568 /nfs/dbraw/zinc/86/45/68/473864568.db2.gz FTYUXUMEICTUAY-UHFFFAOYSA-N 0 3 340.383 2.822 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000188061781 473968024 /nfs/dbraw/zinc/96/80/24/473968024.db2.gz OTQPZTOZAGUEGL-WYMLVPIESA-N 0 3 331.416 2.941 10 5 EFBEHN CCOc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000246955510 474016095 /nfs/dbraw/zinc/01/60/95/474016095.db2.gz MHEASXCMXGIACK-GJZGRUSLSA-N 0 3 347.415 2.692 10 5 EFBEHN CC(C)N1C[C@H](C)[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000246981061 474024363 /nfs/dbraw/zinc/02/43/63/474024363.db2.gz GIDBOTILOIMKEC-XHDPSFHLSA-N 0 3 332.404 2.620 10 5 EFBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000247037849 474043435 /nfs/dbraw/zinc/04/34/35/474043435.db2.gz UZQVYBIQEWRFMP-OLZOCXBDSA-N 0 3 337.807 2.947 10 5 EFBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265017037 474164086 /nfs/dbraw/zinc/16/40/86/474164086.db2.gz XULFHWKFMQCHCR-FZMZJTMJSA-N 0 3 329.356 2.650 10 5 EFBEHN CCN1CCC[C@H]1CN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000175361677 474197894 /nfs/dbraw/zinc/19/78/94/474197894.db2.gz ICEKBHAKROOAAI-HNNXBMFYSA-N 0 3 345.403 2.561 10 5 EFBEHN CN1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000247976436 474237903 /nfs/dbraw/zinc/23/79/03/474237903.db2.gz GMGGGULPMSXVNC-PKOBYXMFSA-N 0 3 339.395 2.699 10 5 EFBEHN C[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000289413782 474260937 /nfs/dbraw/zinc/26/09/37/474260937.db2.gz AMHQBLUIMOGWTJ-SJKOYZFVSA-N 0 3 337.395 2.985 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000183267673 474362752 /nfs/dbraw/zinc/36/27/52/474362752.db2.gz DKAIZDRWUGSCAA-MRXNPFEDSA-N 0 3 331.416 2.641 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000248572982 474363424 /nfs/dbraw/zinc/36/34/24/474363424.db2.gz CYVQAPWVOVJUOW-NVXWUHKLSA-N 0 3 344.415 2.582 10 5 EFBEHN CO[C@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000289662516 474366750 /nfs/dbraw/zinc/36/67/50/474366750.db2.gz YPWSNVLVGKZBHV-IYBDPMFKSA-N 0 3 330.388 2.605 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000183331896 474373492 /nfs/dbraw/zinc/37/34/92/474373492.db2.gz KAJNHFWMHBUMJO-KRWDZBQOSA-N 0 3 341.415 2.794 10 5 EFBEHN CN1CC[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248722671 474415341 /nfs/dbraw/zinc/41/53/41/474415341.db2.gz GFHSFFFAEQDJFH-NVXWUHKLSA-N 0 3 340.383 2.551 10 5 EFBEHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)CC1CCS(=O)(=O)CC1 ZINC000271328396 474493856 /nfs/dbraw/zinc/49/38/56/474493856.db2.gz VEAHJVASGFBTHZ-UHFFFAOYSA-N 0 3 340.445 2.630 10 5 EFBEHN NC(=O)N[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000271390917 474523225 /nfs/dbraw/zinc/52/32/25/474523225.db2.gz TYAXQLCBMLLEMY-GFCCVEGCSA-N 0 3 346.412 2.566 10 5 EFBEHN Cc1ccc([C@H](C)NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000176737358 474523630 /nfs/dbraw/zinc/52/36/30/474523630.db2.gz OEQJPELUGQYTFJ-HOCLYGCPSA-N 0 3 344.415 2.620 10 5 EFBEHN CSc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-] ZINC000249131822 474535015 /nfs/dbraw/zinc/53/50/15/474535015.db2.gz LZNBQBRWBRGJMM-NEPJUHHUSA-N 0 3 335.429 2.625 10 5 EFBEHN CN1CC[C@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000277689709 474592844 /nfs/dbraw/zinc/59/28/44/474592844.db2.gz GNWNOFNINXDLTH-CYBMUJFWSA-N 0 3 335.407 2.775 10 5 EFBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000249627382 474600661 /nfs/dbraw/zinc/60/06/61/474600661.db2.gz QISSFRRUYKOQCL-CABCVRRESA-N 0 3 347.415 2.611 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(CC)C1 ZINC000184763983 474602736 /nfs/dbraw/zinc/60/27/36/474602736.db2.gz RAMCVHHZOMEUCF-HOTGVXAUSA-N 0 3 333.432 2.764 10 5 EFBEHN COc1ccccc1[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272914856 474640263 /nfs/dbraw/zinc/64/02/63/474640263.db2.gz HIALLCURJAZCGY-KBPBESRZSA-N 0 3 346.383 2.694 10 5 EFBEHN Cc1cc(N2CCC[C@H](N[C@H](C)c3cccc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000278518030 474676727 /nfs/dbraw/zinc/67/67/27/474676727.db2.gz SBKFKNWTQBNZNO-ZBFHGGJFSA-N 0 3 343.431 2.956 10 5 EFBEHN Cc1nc(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000252512292 474691080 /nfs/dbraw/zinc/69/10/80/474691080.db2.gz OWSOHGRCOGBKKM-BPLDGKMQSA-N 0 3 334.420 2.600 10 5 EFBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278659416 474761760 /nfs/dbraw/zinc/76/17/60/474761760.db2.gz HRQZSHWLDXIZJA-AAEUAGOBSA-N 0 3 348.321 2.609 10 5 EFBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](CC(F)(F)F)C1 ZINC000278730583 474800883 /nfs/dbraw/zinc/80/08/83/474800883.db2.gz LDWCRXYYWJRJOY-NEPJUHHUSA-N 0 3 348.321 2.609 10 5 EFBEHN COc1cc(N2CC[C@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000339055289 474887326 /nfs/dbraw/zinc/88/73/26/474887326.db2.gz HXCWDMBWBVILCU-INIZCTEOSA-N 0 3 349.431 2.685 10 5 EFBEHN COc1cc(NC[C@]2(N(C)C)CCSC2)c([N+](=O)[O-])cc1F ZINC000268253467 474887901 /nfs/dbraw/zinc/88/79/01/474887901.db2.gz ZYIPETUHJCDFLJ-CQSZACIVSA-N 0 3 329.397 2.592 10 5 EFBEHN COc1ccc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000341035218 474901208 /nfs/dbraw/zinc/90/12/08/474901208.db2.gz IKGQHQNATQWCRO-CHWSQXEVSA-N 0 3 335.404 2.596 10 5 EFBEHN CN1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000613860534 480134104 /nfs/dbraw/zinc/13/41/04/480134104.db2.gz OBLBWENPPKFRGC-SNVBAGLBSA-N 0 3 346.309 2.829 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000341063779 474933671 /nfs/dbraw/zinc/93/36/71/474933671.db2.gz FCYVOLINCFTIII-STQMWFEESA-N 0 3 335.404 2.596 10 5 EFBEHN COc1cc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000341069106 474938790 /nfs/dbraw/zinc/93/87/90/474938790.db2.gz NUCVPRBAPLZZFX-STQMWFEESA-N 0 3 335.404 2.596 10 5 EFBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341124716 475000303 /nfs/dbraw/zinc/00/03/03/475000303.db2.gz OVBVJHMXSSAXPD-GASCZTMLSA-N 0 3 348.447 2.699 10 5 EFBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000341124320 475001294 /nfs/dbraw/zinc/00/12/94/475001294.db2.gz VITLENZRJLTCAR-KBPBESRZSA-N 0 3 334.420 2.657 10 5 EFBEHN COC(=O)c1cc(N2CC[C@H](N3CCCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000268478156 475004155 /nfs/dbraw/zinc/00/41/55/475004155.db2.gz KCXJAEZHOLVXMH-AWEZNQCLSA-N 0 3 347.415 2.754 10 5 EFBEHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1[C@H](C)CCC[C@H]1C ZINC000341130197 475005533 /nfs/dbraw/zinc/00/55/33/475005533.db2.gz RHYQKRNWUAYHFZ-CHWSQXEVSA-N 0 3 334.420 2.629 10 5 EFBEHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1[C@H](C)CCC[C@@H]1C ZINC000341130195 475005585 /nfs/dbraw/zinc/00/55/85/475005585.db2.gz RHYQKRNWUAYHFZ-BETUJISGSA-N 0 3 334.420 2.629 10 5 EFBEHN COc1ccccc1[C@@H]1CNCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261876145 475094838 /nfs/dbraw/zinc/09/48/38/475094838.db2.gz XZSWJFZVAGEEID-KRWDZBQOSA-N 0 3 345.374 2.889 10 5 EFBEHN C[C@@H]1[C@@H](NCc2cccc([N+](=O)[O-])c2)CC(=O)N1Cc1ccccc1 ZINC000341552571 475137904 /nfs/dbraw/zinc/13/79/04/475137904.db2.gz HCLPDAWTRRDNSW-KDOFPFPSSA-N 0 3 339.395 2.874 10 5 EFBEHN C[C@@H]1CCC[C@@H](C)N1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000609354327 480152415 /nfs/dbraw/zinc/15/24/15/480152415.db2.gz VCRXHNUWWDWABU-VXGBXAGGSA-N 0 3 345.403 2.918 10 5 EFBEHN COc1ccc2c(c1)CCC[C@H]2N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000358226151 475507095 /nfs/dbraw/zinc/50/70/95/475507095.db2.gz CUXSHSKMEIXSHS-MRXNPFEDSA-N 0 3 330.388 2.809 10 5 EFBEHN CC(C)(C)[C@@H]1CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348423511 475657927 /nfs/dbraw/zinc/65/79/27/475657927.db2.gz VGKMVTWUZFECCE-CABCVRRESA-N 0 3 340.445 2.783 10 5 EFBEHN Cc1c(CNC(=O)NCCN2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000358454536 475689193 /nfs/dbraw/zinc/68/91/93/475689193.db2.gz XCDGQPKKNAXTFK-ZIAGYGMSSA-N 0 3 348.447 2.965 10 5 EFBEHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](CO)c1cccnc1)CCC2 ZINC000348643820 475797536 /nfs/dbraw/zinc/79/75/36/475797536.db2.gz OWLXYRRFPBEGBN-QAPCUYQASA-N 0 3 327.384 2.733 10 5 EFBEHN O=[N+]([O-])c1cnccc1NC[C@H]1CCCCN1Cc1ccccc1 ZINC000340153038 475806526 /nfs/dbraw/zinc/80/65/26/475806526.db2.gz VRGZBWGDUCSVMX-MRXNPFEDSA-N 0 3 326.400 2.878 10 5 EFBEHN CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000340188181 475838025 /nfs/dbraw/zinc/83/80/25/475838025.db2.gz DSPUCRVQEFJITH-CQSZACIVSA-N 0 3 331.416 2.568 10 5 EFBEHN Cc1c(CNC(=O)N[C@@H](CC(C)C)CN(C)C)cccc1[N+](=O)[O-] ZINC000358694367 475865569 /nfs/dbraw/zinc/86/55/69/475865569.db2.gz ROKKEHPONGWNDL-HNNXBMFYSA-N 0 3 336.436 2.679 10 5 EFBEHN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCN(C2CC2)C1 ZINC000353326371 475871676 /nfs/dbraw/zinc/87/16/76/475871676.db2.gz BZEDXRGGEZBIDH-CQSZACIVSA-N 0 3 341.358 2.865 10 5 EFBEHN Cc1c(Cc2noc(CC3CCN(C)CC3)n2)cccc1[N+](=O)[O-] ZINC000346872359 475928089 /nfs/dbraw/zinc/92/80/89/475928089.db2.gz GNQATGVBNUMXGA-UHFFFAOYSA-N 0 3 330.388 2.761 10 5 EFBEHN CSc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000347017571 476036722 /nfs/dbraw/zinc/03/67/22/476036722.db2.gz POMPVULPZIPSQV-ZDUSSCGKSA-N 0 3 335.429 2.625 10 5 EFBEHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H]1n1cccn1 ZINC000340538925 476094080 /nfs/dbraw/zinc/09/40/80/476094080.db2.gz HDQXMGNJTWMGOV-SJWGOKEGSA-N 0 3 330.388 2.861 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(CCO)CCCCC1 ZINC000353644625 476150489 /nfs/dbraw/zinc/15/04/89/476150489.db2.gz ANLJVWBQWSPOLA-UHFFFAOYSA-N 0 3 335.404 2.517 10 5 EFBEHN O=[N+]([O-])c1ccc(CNCCC2CCS(=O)(=O)CC2)c(Cl)c1 ZINC000344322097 476250404 /nfs/dbraw/zinc/25/04/04/476250404.db2.gz GKWLDMSWDBQLGF-UHFFFAOYSA-N 0 3 346.836 2.553 10 5 EFBEHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc2ncsc2c1 ZINC000362573480 476314428 /nfs/dbraw/zinc/31/44/28/476314428.db2.gz SYKOYSSAZARPEX-NSHDSACASA-N 0 3 344.396 2.717 10 5 EFBEHN CCOc1ccc(C(=O)NCCN2CCCC[C@@H]2CC)cc1[N+](=O)[O-] ZINC000354372369 476618324 /nfs/dbraw/zinc/61/83/24/476618324.db2.gz NBRMKWJPSYTGCJ-HNNXBMFYSA-N 0 3 349.431 2.988 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000375300038 476764241 /nfs/dbraw/zinc/76/42/41/476764241.db2.gz STWHUXVZQWFLRU-LJQANCHMSA-N 0 3 337.379 2.999 10 5 EFBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446055057 476813780 /nfs/dbraw/zinc/81/37/80/476813780.db2.gz SGFAZXHDCUUSEG-HUUCEWRRSA-N 0 3 333.432 2.907 10 5 EFBEHN CC(C)(CN1CCCC1)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000452092027 476817868 /nfs/dbraw/zinc/81/78/68/476817868.db2.gz UFKQQONUFORPQC-UHFFFAOYSA-N 0 3 345.403 2.609 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375465231 476852052 /nfs/dbraw/zinc/85/20/52/476852052.db2.gz HSAWRHCARSSYKY-ZDUSSCGKSA-N 0 3 344.371 2.724 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000446315386 476860429 /nfs/dbraw/zinc/86/04/29/476860429.db2.gz IZVYEMGTWLMREY-ZYHUDNBSSA-N 0 3 325.796 2.769 10 5 EFBEHN Cn1cnc([N+](=O)[O-])c1NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000398004890 476867098 /nfs/dbraw/zinc/86/70/98/476867098.db2.gz XIGCLRKIQCKRJG-KRWDZBQOSA-N 0 3 329.404 2.795 10 5 EFBEHN CC(C)N1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000457130132 476892813 /nfs/dbraw/zinc/89/28/13/476892813.db2.gz TVRCVAGYEXOEDT-CYBMUJFWSA-N 0 3 330.388 2.631 10 5 EFBEHN COc1cccc([C@@H](CNc2ncc(F)cc2[N+](=O)[O-])N(C)C)c1 ZINC000401222212 476897039 /nfs/dbraw/zinc/89/70/39/476897039.db2.gz YJBGBUXSVVIABO-OAHLLOKOSA-N 0 3 334.351 2.852 10 5 EFBEHN C[C@H](Nc1ccc(N2CCNCC2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000423233058 476970314 /nfs/dbraw/zinc/97/03/14/476970314.db2.gz NRLAEOUPZJDNFT-ZDUSSCGKSA-N 0 3 327.388 2.573 10 5 EFBEHN Cc1ccc([C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)N(C)C)cc1 ZINC000447681393 477034648 /nfs/dbraw/zinc/03/46/48/477034648.db2.gz YZLKGQCQQIRFAQ-QGZVFWFLSA-N 0 3 339.399 2.916 10 5 EFBEHN CCOc1ccc([C@H](C)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000423481886 477043075 /nfs/dbraw/zinc/04/30/75/477043075.db2.gz OQUSLWWJEVBTMY-HZMBPMFUSA-N 0 3 329.347 2.641 10 5 EFBEHN Cc1cc(OCC(=O)NCCN2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000431634935 477065547 /nfs/dbraw/zinc/06/55/47/477065547.db2.gz HZPLYKXJBDTRTC-HUUCEWRRSA-N 0 3 349.431 2.661 10 5 EFBEHN CCOc1ccc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000376493139 477361559 /nfs/dbraw/zinc/36/15/59/477361559.db2.gz XWLOSVMTVDOERH-UKRRQHHQSA-N 0 3 347.415 2.692 10 5 EFBEHN CCOc1ccc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000376493138 477362361 /nfs/dbraw/zinc/36/23/61/477362361.db2.gz XWLOSVMTVDOERH-HIFRSBDPSA-N 0 3 347.415 2.692 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371865050 477533660 /nfs/dbraw/zinc/53/36/60/477533660.db2.gz RCMJFUBTHGAKTL-FUHWJXTLSA-N 0 3 344.415 2.725 10 5 EFBEHN CC(C)c1ccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000449358621 477560290 /nfs/dbraw/zinc/56/02/90/477560290.db2.gz COPHICMAFMGOQF-AEFFLSMTSA-N 0 3 333.432 2.623 10 5 EFBEHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425282290 477677576 /nfs/dbraw/zinc/67/75/76/477677576.db2.gz KKKPIGMWGZTXRO-YVEFUNNKSA-N 0 3 342.399 2.682 10 5 EFBEHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000450807221 477723313 /nfs/dbraw/zinc/72/33/13/477723313.db2.gz GHCKQMDBSKRFAR-OAHLLOKOSA-N 0 3 326.400 2.948 10 5 EFBEHN Cc1nn(C)c(N2CCN(C(C)(C)CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000450883650 477749468 /nfs/dbraw/zinc/74/94/68/477749468.db2.gz XHFBHNQRRPFEJU-UHFFFAOYSA-N 0 3 337.468 2.974 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000426914248 477759333 /nfs/dbraw/zinc/75/93/33/477759333.db2.gz OHBOCMSILYFTAE-CHWSQXEVSA-N 0 3 335.404 2.596 10 5 EFBEHN C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCN1Cc1ccccc1 ZINC000427979332 477797836 /nfs/dbraw/zinc/79/78/36/477797836.db2.gz HWYUWGNHSXEXFY-SFHVURJKSA-N 0 3 342.399 2.707 10 5 EFBEHN O=[N+]([O-])c1cnc2c(c1)CN([C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000459409566 477892296 /nfs/dbraw/zinc/89/22/96/477892296.db2.gz YTPYMHAEMOBFNV-KRWDZBQOSA-N 0 3 338.411 2.622 10 5 EFBEHN O=[N+]([O-])c1ccc(CCCCNCc2cn3cccnc3n2)cc1 ZINC000459426208 477901205 /nfs/dbraw/zinc/90/12/05/477901205.db2.gz NLRCYJRWQKVGNG-UHFFFAOYSA-N 0 3 325.372 2.750 10 5 EFBEHN CC[C@@H]1[C@@H](CO)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451249816 477903033 /nfs/dbraw/zinc/90/30/33/477903033.db2.gz CJAJSBIUEJVBOM-CZUORRHYSA-N 0 3 331.372 2.843 10 5 EFBEHN CC[C@H]1[C@H](CO)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451249814 477903528 /nfs/dbraw/zinc/90/35/28/477903528.db2.gz CJAJSBIUEJVBOM-BBRMVZONSA-N 0 3 331.372 2.843 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCNCc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000516841178 477992982 /nfs/dbraw/zinc/99/29/82/477992982.db2.gz AVRNOHSIUARHQU-UHFFFAOYSA-N 0 3 328.328 2.747 10 5 EFBEHN Cc1ccsc1[C@@H](CO)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494630576 478028291 /nfs/dbraw/zinc/02/82/91/478028291.db2.gz JWZSICMKAKPARD-CQSZACIVSA-N 0 3 349.412 2.617 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCNC(=O)c1ccccc1 ZINC000536533272 478254399 /nfs/dbraw/zinc/25/43/99/478254399.db2.gz QJLMVDBDINKQHH-CQSZACIVSA-N 0 3 327.384 2.984 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C)(N2CCOCC2)CC1 ZINC000600201798 478278816 /nfs/dbraw/zinc/27/88/16/478278816.db2.gz XQICFVWWULUBGU-UHFFFAOYSA-N 0 3 333.432 2.590 10 5 EFBEHN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600228966 478299150 /nfs/dbraw/zinc/29/91/50/478299150.db2.gz IHSVBGLATSMGHX-ZDUSSCGKSA-N 0 3 349.435 2.578 10 5 EFBEHN COc1cccc(C(=O)NC[C@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230349 478300901 /nfs/dbraw/zinc/30/09/01/478300901.db2.gz RFCCPNDMVRDGGX-CQSZACIVSA-N 0 3 347.415 2.740 10 5 EFBEHN COc1cccc([N+](=O)[O-])c1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000520610317 478331309 /nfs/dbraw/zinc/33/13/09/478331309.db2.gz UEMURCZWDRCGKY-HNNXBMFYSA-N 0 3 349.431 2.685 10 5 EFBEHN C[C@H](NC1CCN(c2cnccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000538192847 478349446 /nfs/dbraw/zinc/34/94/46/478349446.db2.gz HJDMEGFJRAKXLJ-ZDUSSCGKSA-N 0 3 327.388 2.704 10 5 EFBEHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594417193 478374438 /nfs/dbraw/zinc/37/44/38/478374438.db2.gz AXOZHQNFEIVFGW-IAGOWNOFSA-N 0 3 342.399 2.823 10 5 EFBEHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1C1CCCC1 ZINC000600470055 478382055 /nfs/dbraw/zinc/38/20/55/478382055.db2.gz DZPDNVJMNAZZJH-HNNXBMFYSA-N 0 3 349.456 2.820 10 5 EFBEHN C[C@@H](C(=O)NC[C@@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600472484 478382433 /nfs/dbraw/zinc/38/24/33/478382433.db2.gz ZNYSRDLASZDAAT-DYVFJYSZSA-N 0 3 331.416 2.831 10 5 EFBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600469414 478383103 /nfs/dbraw/zinc/38/31/03/478383103.db2.gz BABPMEKTOLTMQM-CYBMUJFWSA-N 0 3 337.807 2.995 10 5 EFBEHN C[C@H](C(=O)NC[C@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600472486 478383853 /nfs/dbraw/zinc/38/38/53/478383853.db2.gz ZNYSRDLASZDAAT-SUMWQHHRSA-N 0 3 331.416 2.831 10 5 EFBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000600473181 478384274 /nfs/dbraw/zinc/38/42/74/478384274.db2.gz SUCYOWPCJKTLSQ-AWEZNQCLSA-N 0 3 337.807 2.995 10 5 EFBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600474065 478384678 /nfs/dbraw/zinc/38/46/78/478384678.db2.gz WNQDKRZLCCZJCK-AWEZNQCLSA-N 0 3 342.399 2.823 10 5 EFBEHN O=[N+]([O-])c1ccc(CCNCc2cnnn2Cc2ccccc2)cc1 ZINC000490865977 478396052 /nfs/dbraw/zinc/39/60/52/478396052.db2.gz XVVSSVKSFOQFTH-UHFFFAOYSA-N 0 3 337.383 2.567 10 5 EFBEHN CC(C)(C)c1ccc(C(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451588 478395947 /nfs/dbraw/zinc/39/59/47/478395947.db2.gz NKNMPSSCDJPTCK-LLVKDONJSA-N 0 3 333.310 2.512 10 5 EFBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000562985071 478401756 /nfs/dbraw/zinc/40/17/56/478401756.db2.gz GTMNHNUOBRANEN-BZUAXINKSA-N 0 3 346.358 2.619 10 5 EFBEHN COC[C@H](CC(C)(C)C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594515294 478421007 /nfs/dbraw/zinc/42/10/07/478421007.db2.gz MOBBJMZZTIWSEK-ZDUSSCGKSA-N 0 3 338.404 2.907 10 5 EFBEHN COc1cc(CNC[C@H]2CCC3(CCCC3)O2)c([N+](=O)[O-])cc1O ZINC000594520794 478425581 /nfs/dbraw/zinc/42/55/81/478425581.db2.gz BUKUBDBCFBDFDB-CYBMUJFWSA-N 0 3 336.388 2.890 10 5 EFBEHN O=[N+]([O-])c1ccc2[nH]cc(CCN[C@H]3CCCn4ccnc43)c2c1 ZINC000594525127 478427078 /nfs/dbraw/zinc/42/70/78/478427078.db2.gz SLYXXKSMZTWJEA-INIZCTEOSA-N 0 3 325.372 2.940 10 5 EFBEHN O=c1[nH]c(N[C@@H]2CCCN3CCCC[C@@H]23)nc2ccc([N+](=O)[O-])cc21 ZINC000594597579 478457132 /nfs/dbraw/zinc/45/71/32/478457132.db2.gz DATVULJVPDKVSQ-CABCVRRESA-N 0 3 343.387 2.672 10 5 EFBEHN CN(C)[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CC1 ZINC000570895286 478468772 /nfs/dbraw/zinc/46/87/72/478468772.db2.gz XSVUUUICKVTIGL-SFHVURJKSA-N 0 3 349.434 2.751 10 5 EFBEHN COCC1(C2CCC2)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000594716337 478510388 /nfs/dbraw/zinc/51/03/88/478510388.db2.gz PDQIVMQKHNCPPO-UHFFFAOYSA-N 0 3 347.415 2.672 10 5 EFBEHN COc1ccc(CNc2ccc([C@@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000594739414 478523256 /nfs/dbraw/zinc/52/32/56/478523256.db2.gz QFTMUYSHACSHHU-SFHVURJKSA-N 0 3 343.383 2.876 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597856825 478543063 /nfs/dbraw/zinc/54/30/63/478543063.db2.gz AUWNKCBLMJOHPG-AWEZNQCLSA-N 0 3 344.415 2.608 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000597860203 478547042 /nfs/dbraw/zinc/54/70/42/478547042.db2.gz LVJUCRPAYPOROL-CYBMUJFWSA-N 0 3 333.432 2.861 10 5 EFBEHN COc1cc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc([N+](=O)[O-])c1C ZINC000597861745 478548207 /nfs/dbraw/zinc/54/82/07/478548207.db2.gz WRFCQAUKRPNVIW-ZDUSSCGKSA-N 0 3 335.404 2.514 10 5 EFBEHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594966393 478609252 /nfs/dbraw/zinc/60/92/52/478609252.db2.gz RGAAKBRPPFGCPK-PEYYIBSZSA-N 0 3 342.823 2.904 10 5 EFBEHN Cc1ccc(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1[N+](=O)[O-] ZINC000594989724 478619080 /nfs/dbraw/zinc/61/90/80/478619080.db2.gz IYMISGUEQFZCFJ-QZTJIDSGSA-N 0 3 345.443 2.636 10 5 EFBEHN CCN(CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CC1 ZINC000601035813 478624986 /nfs/dbraw/zinc/62/49/86/478624986.db2.gz MRDPBKIUWHTTJA-UHFFFAOYSA-N 0 3 331.416 2.617 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(C(=O)C(C)C)CC1 ZINC000595008558 478627194 /nfs/dbraw/zinc/62/71/94/478627194.db2.gz VIQKRGYQVKODCJ-ZDUSSCGKSA-N 0 3 349.431 2.901 10 5 EFBEHN CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CCN(CC)C1 ZINC000598044186 478630155 /nfs/dbraw/zinc/63/01/55/478630155.db2.gz ZJBFCBARTWSLHV-CYBMUJFWSA-N 0 3 330.388 2.632 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000571580888 478630512 /nfs/dbraw/zinc/63/05/12/478630512.db2.gz CLXDWOUBELFHKL-QGZVFWFLSA-N 0 3 333.432 2.590 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1C[C@H]2CCCCN2C1=O ZINC000595104292 478661879 /nfs/dbraw/zinc/66/18/79/478661879.db2.gz OPKJBGBJPVBKCB-GDBMZVCRSA-N 0 3 346.431 2.844 10 5 EFBEHN CCN1CC[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1C ZINC000601122405 478670687 /nfs/dbraw/zinc/67/06/87/478670687.db2.gz VVRPUFPAKDMPRD-UWVGGRQHSA-N 0 3 349.357 2.656 10 5 EFBEHN O=[N+]([O-])c1cc2c(nc1N1CCC[C@H](N3CCCC3)C1)CCCC2 ZINC000591898807 478683438 /nfs/dbraw/zinc/68/34/38/478683438.db2.gz FKCQFCGQGPNYRD-HNNXBMFYSA-N 0 3 330.432 2.933 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2ccc(CNCC[C@@H](O)C(F)F)o2)c1 ZINC000601147869 478687106 /nfs/dbraw/zinc/68/71/06/478687106.db2.gz YSSUHUNGXUKBEZ-CYBMUJFWSA-N 0 3 326.299 2.961 10 5 EFBEHN CC(C)(C)c1ccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595231874 478696163 /nfs/dbraw/zinc/69/61/63/478696163.db2.gz DOZGJTUCTSXBHE-CHWSQXEVSA-N 0 3 338.383 2.795 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000564156512 478700326 /nfs/dbraw/zinc/70/03/26/478700326.db2.gz WWLVPAKABJYGOV-HUUCEWRRSA-N 0 3 333.432 2.841 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC(C)(C)CN1CCCC1 ZINC000601172869 478703957 /nfs/dbraw/zinc/70/39/57/478703957.db2.gz JNSQIYANHFJLHX-UHFFFAOYSA-N 0 3 335.330 2.633 10 5 EFBEHN C[C@H]1CN(CCCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCCO1 ZINC000591936745 478715870 /nfs/dbraw/zinc/71/58/70/478715870.db2.gz LVVRDUKCOXGNFP-AWEZNQCLSA-N 0 3 348.447 2.781 10 5 EFBEHN O=[N+]([O-])c1cc(F)cnc1NCC1CCN(Cc2ccncc2)CC1 ZINC000601194713 478717326 /nfs/dbraw/zinc/71/73/26/478717326.db2.gz PODAEPHKSYGMMG-UHFFFAOYSA-N 0 3 345.378 2.848 10 5 EFBEHN COC[C@](C)(O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000543702519 478768742 /nfs/dbraw/zinc/76/87/42/478768742.db2.gz YOFUCEPLFQLCBC-ZWKOTPCHSA-N 0 3 330.384 2.671 10 5 EFBEHN CC(C)(C)OC(=O)COCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000601296024 478771350 /nfs/dbraw/zinc/77/13/50/478771350.db2.gz MXDGVUCXSCULJO-CQSZACIVSA-N 0 3 336.388 2.530 10 5 EFBEHN Cc1ccc([C@@H](C)NCCOCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000601295480 478772259 /nfs/dbraw/zinc/77/22/59/478772259.db2.gz VPDCLIZBJPBJAI-CYBMUJFWSA-N 0 3 338.404 2.912 10 5 EFBEHN O=[N+]([O-])c1ccccc1CN(C[C@H]1CCCO1)[C@H]1CC[C@H](O)CC1 ZINC000592131007 478788783 /nfs/dbraw/zinc/78/87/83/478788783.db2.gz PDKBWAQRCJZWDI-BRWVUGGUSA-N 0 3 334.416 2.879 10 5 EFBEHN CC(C)(O)CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131269 478789540 /nfs/dbraw/zinc/78/95/40/478789540.db2.gz VUGKUMTTZYIQPB-WKILWMFISA-N 0 3 336.432 2.861 10 5 EFBEHN COc1ccc(CN2CCc3ccccc3[C@H]2CN)cc1[N+](=O)[O-] ZINC000592438324 478893802 /nfs/dbraw/zinc/89/38/02/478893802.db2.gz KRSIPORQINQQEL-QGZVFWFLSA-N 0 3 327.384 2.662 10 5 EFBEHN CC1(C)C[C@@H](N(CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)CO1 ZINC000595634617 478904772 /nfs/dbraw/zinc/90/47/72/478904772.db2.gz DDHBWLSSROMZMH-MRXNPFEDSA-N 0 3 344.415 2.861 10 5 EFBEHN CN(C[C@H]1CCCN1C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601644322 478923476 /nfs/dbraw/zinc/92/34/76/478923476.db2.gz OBKZHOOTAYHHFL-MRXNPFEDSA-N 0 3 331.416 2.569 10 5 EFBEHN CN1C[C@@H]2CCCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)[C@@H]2C1 ZINC000601647182 478924827 /nfs/dbraw/zinc/92/48/27/478924827.db2.gz NZALLRSWBISOOG-WMLDXEAASA-N 0 3 343.427 2.569 10 5 EFBEHN Cn1cc(C[C@H]2CCC[C@H]2NCc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000595771941 478989116 /nfs/dbraw/zinc/98/91/16/478989116.db2.gz QWFZKFGRRWOSAW-CZUORRHYSA-N 0 3 332.379 2.968 10 5 EFBEHN Cc1c(NC(=O)CCN2CC[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595779408 478991502 /nfs/dbraw/zinc/99/15/02/478991502.db2.gz AATAFATWMADRDQ-OLZOCXBDSA-N 0 3 335.404 2.731 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781073 478994249 /nfs/dbraw/zinc/99/42/49/478994249.db2.gz QQIWIMAILJPUQJ-KGLIPLIRSA-N 0 3 335.404 2.731 10 5 EFBEHN CCCN1CC[C@H](NC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000595808787 479010246 /nfs/dbraw/zinc/01/02/46/479010246.db2.gz WJZZZSVZTLEKIN-HOCLYGCPSA-N 0 3 334.420 2.829 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595965311 479083222 /nfs/dbraw/zinc/08/32/22/479083222.db2.gz CGRYNGJXXDBOET-INIZCTEOSA-N 0 3 341.367 2.816 10 5 EFBEHN Nc1ccnc2c1CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)CC2 ZINC000598944197 479095591 /nfs/dbraw/zinc/09/55/91/479095591.db2.gz ZHTVPDDWOOTITB-UHFFFAOYSA-N 0 3 336.298 2.736 10 5 EFBEHN C[C@@H](NC(=O)NC[C@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971946 479107404 /nfs/dbraw/zinc/10/74/04/479107404.db2.gz JREVHGJBXUCKJW-CXAGYDPISA-N 0 3 346.431 2.972 10 5 EFBEHN C[C@@H](NC(=O)NC[C@@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971947 479107589 /nfs/dbraw/zinc/10/75/89/479107589.db2.gz JREVHGJBXUCKJW-DYVFJYSZSA-N 0 3 346.431 2.972 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)[C@H]3CCCO3)s2)cc1 ZINC000598990162 479116848 /nfs/dbraw/zinc/11/68/48/479116848.db2.gz IHJLRDZKEYCEFB-JKSUJKDBSA-N 0 3 348.424 2.953 10 5 EFBEHN COc1ccc(CNC[C@@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000599001190 479121549 /nfs/dbraw/zinc/12/15/49/479121549.db2.gz ZTXDBZTXTZRENL-MRXNPFEDSA-N 0 3 341.367 2.520 10 5 EFBEHN NC(=O)[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000599002459 479121955 /nfs/dbraw/zinc/12/19/55/479121955.db2.gz BIGKLYCUDVRHLF-MGCOHNPYSA-N 0 3 349.774 2.862 10 5 EFBEHN Cn1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599006360 479123525 /nfs/dbraw/zinc/12/35/25/479123525.db2.gz HJEHGRUMBGXXJE-DOTOQJQBSA-N 0 3 342.399 2.652 10 5 EFBEHN COc1cc(NC[C@H](O)CN2CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596078833 479125060 /nfs/dbraw/zinc/12/50/60/479125060.db2.gz UZMSAPJDKPMGAM-NSHDSACASA-N 0 3 343.811 2.516 10 5 EFBEHN CC[C@@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000593021894 479128962 /nfs/dbraw/zinc/12/89/62/479128962.db2.gz QUNNQBHNQTXZNL-OAHLLOKOSA-N 0 3 336.388 2.676 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c1 ZINC000593029546 479133004 /nfs/dbraw/zinc/13/30/04/479133004.db2.gz BYHZANAGRQMBBB-COLVAYQJSA-N 0 3 336.388 2.531 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000593029590 479133644 /nfs/dbraw/zinc/13/36/44/479133644.db2.gz CRAXJOTUGCXTNM-FVQBIDKESA-N 0 3 348.399 2.675 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)[C@@](C)(OC)C2CC2)c1 ZINC000593035104 479136265 /nfs/dbraw/zinc/13/62/65/479136265.db2.gz XFUDHZWJMTVVCL-PIGZYNQJSA-N 0 3 336.388 2.675 10 5 EFBEHN CS[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000599059318 479142710 /nfs/dbraw/zinc/14/27/10/479142710.db2.gz MVWVQEOMRKIXIF-HUUCEWRRSA-N 0 3 332.429 2.625 10 5 EFBEHN NC(=O)[C@H]1C[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000599070359 479147320 /nfs/dbraw/zinc/14/73/20/479147320.db2.gz LSPUILGABAAMPN-BFYDXBDKSA-N 0 3 325.368 2.538 10 5 EFBEHN CN1CCOC[C@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599082672 479154185 /nfs/dbraw/zinc/15/41/85/479154185.db2.gz XWZNJBRQKXJTHN-MOPGFXCFSA-N 0 3 341.411 2.604 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCN2C2CCCCC2)n1 ZINC000599127089 479170717 /nfs/dbraw/zinc/17/07/17/479170717.db2.gz NQCLVQVJGAOFSW-ZDUSSCGKSA-N 0 3 348.403 2.595 10 5 EFBEHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCCN(c2ncccn2)C1 ZINC000584540207 479172318 /nfs/dbraw/zinc/17/23/18/479172318.db2.gz QQKATCQRIZQPQV-XJKSGUPXSA-N 0 3 339.399 2.631 10 5 EFBEHN COc1cc(N2C[C@@H](SC)[C@@H](N(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596180531 479183895 /nfs/dbraw/zinc/18/38/95/479183895.db2.gz UXGJHGYMEJVGQR-GXTWGEPZSA-N 0 3 345.852 2.739 10 5 EFBEHN COc1cc(N2C[C@@H](N(C)C)[C@@H](SC)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596180533 479184209 /nfs/dbraw/zinc/18/42/09/479184209.db2.gz UXGJHGYMEJVGQR-OCCSQVGLSA-N 0 3 345.852 2.739 10 5 EFBEHN O=C(CCN1CC[C@]2(CC2(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000593115248 479184693 /nfs/dbraw/zinc/18/46/93/479184693.db2.gz BMSJHSYOQSONTR-AWEZNQCLSA-N 0 3 325.315 2.655 10 5 EFBEHN COC(=O)c1c(Cl)c(N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000596193147 479190618 /nfs/dbraw/zinc/19/06/18/479190618.db2.gz CFMOGIZZQSJBQU-UHFFFAOYSA-N 0 3 341.795 2.565 10 5 EFBEHN Cc1cc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000599168248 479192590 /nfs/dbraw/zinc/19/25/90/479192590.db2.gz JTMRROYXQPWYRY-CDEUHXGRSA-N 0 3 345.424 2.941 10 5 EFBEHN Cc1ccc(OC[C@@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000556831219 479217867 /nfs/dbraw/zinc/21/78/67/479217867.db2.gz GRXHAXCXGPLKKK-KRWDZBQOSA-N 0 3 344.411 2.817 10 5 EFBEHN COc1cc(NC[C@H]2CCCN2CCCO)c(Cl)cc1[N+](=O)[O-] ZINC000596256191 479227088 /nfs/dbraw/zinc/22/70/88/479227088.db2.gz BNCZUPZOHXOMFV-LLVKDONJSA-N 0 3 343.811 2.516 10 5 EFBEHN CC[C@H](NC(=O)N(CC)[C@@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596456927 479302742 /nfs/dbraw/zinc/30/27/42/479302742.db2.gz UZOKCRWXMFILQW-CVEARBPZSA-N 0 3 334.420 2.782 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C(F)F)C1 ZINC000611179610 479304169 /nfs/dbraw/zinc/30/41/69/479304169.db2.gz GFXDXLABHYFBBP-LLVKDONJSA-N 0 3 327.331 2.819 10 5 EFBEHN C[C@@H](CCN1CCN(C)CC1)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593467384 479354501 /nfs/dbraw/zinc/35/45/01/479354501.db2.gz LRSHINLRBBSCNO-AWEZNQCLSA-N 0 3 343.431 2.581 10 5 EFBEHN O=C(Nc1cccc([N+](=O)[O-])c1)C(C[C@H]1COCCO1)C(F)(F)F ZINC000596618887 479360824 /nfs/dbraw/zinc/36/08/24/479360824.db2.gz DMQRGZWAURPNMV-RYUDHWBXSA-N 0 3 348.277 2.517 10 5 EFBEHN C[C@@H](NC[C@@H](O)CN(C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407711 479370455 /nfs/dbraw/zinc/37/04/55/479370455.db2.gz MWFKGSQDIXYXHO-NVXWUHKLSA-N 0 3 343.427 2.738 10 5 EFBEHN C[C@H](Cc1cccc(O)c1)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611439118 479380445 /nfs/dbraw/zinc/38/04/45/479380445.db2.gz DATJAOLGWMEQQL-GFCCVEGCSA-N 0 3 344.367 2.792 10 5 EFBEHN CN(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(F)cc1 ZINC000611525563 479406130 /nfs/dbraw/zinc/40/61/30/479406130.db2.gz KKLCMGQCIOHEHO-MRXNPFEDSA-N 0 3 348.378 2.523 10 5 EFBEHN COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000603589897 479410366 /nfs/dbraw/zinc/41/03/66/479410366.db2.gz MTTHBQKYEFFQHY-UHFFFAOYSA-N 0 3 344.371 2.621 10 5 EFBEHN Cc1ccc(CNC[C@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593652859 479413396 /nfs/dbraw/zinc/41/33/96/479413396.db2.gz NIOGGFBXPKFUNB-IBGZPJMESA-N 0 3 326.396 2.869 10 5 EFBEHN COc1ccc(CNC[C@@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593653087 479413413 /nfs/dbraw/zinc/41/34/13/479413413.db2.gz RUJDIJRDFIDJKD-LJQANCHMSA-N 0 3 342.395 2.570 10 5 EFBEHN COCCN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593694348 479424830 /nfs/dbraw/zinc/42/48/30/479424830.db2.gz YYSIJYUKKKCMSI-VURMDHGXSA-N 0 3 333.432 2.651 10 5 EFBEHN Cn1c(=O)ccc2c1CCC[C@@H]2NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000593694952 479425494 /nfs/dbraw/zinc/42/54/94/479425494.db2.gz UWYUUEQPZCTUFT-YERXGYGTSA-N 0 3 339.395 2.974 10 5 EFBEHN CN1CC=C(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599833783 479444826 /nfs/dbraw/zinc/44/48/26/479444826.db2.gz YJXNNRYJBRUSIG-UHFFFAOYSA-N 0 3 341.371 2.526 10 5 EFBEHN CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000596831881 479445458 /nfs/dbraw/zinc/44/54/58/479445458.db2.gz MDMLUCXXQYLROE-ZDUSSCGKSA-N 0 3 336.392 2.551 10 5 EFBEHN CCN(C[C@H]1CCCN1CC)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000575945401 479508878 /nfs/dbraw/zinc/50/88/78/479508878.db2.gz AYKBLHOKXMZKFL-CYBMUJFWSA-N 0 3 335.404 2.550 10 5 EFBEHN CCO[C@@H]1C[C@H](NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000589506627 479535988 /nfs/dbraw/zinc/53/59/88/479535988.db2.gz LIJVGEADNALDKG-JKSUJKDBSA-N 0 3 348.399 2.819 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@]2(C)CCCO)c1 ZINC000589516138 479537656 /nfs/dbraw/zinc/53/76/56/479537656.db2.gz HATHSXACWIOOGE-QGZVFWFLSA-N 0 3 336.388 2.508 10 5 EFBEHN CCC(C)(C)N1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000594019837 479552016 /nfs/dbraw/zinc/55/20/16/479552016.db2.gz AAHPXXUJHZKPBL-UHFFFAOYSA-N 0 3 349.431 2.688 10 5 EFBEHN CC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCCO1 ZINC000594043874 479564450 /nfs/dbraw/zinc/56/44/50/479564450.db2.gz PBBPTLWVMOBCJY-HZPDHXFCSA-N 0 3 336.388 2.899 10 5 EFBEHN CN1C[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000590052938 479596621 /nfs/dbraw/zinc/59/66/21/479596621.db2.gz QRWBQCKEUGZGRP-CZUORRHYSA-N 0 3 344.440 2.854 10 5 EFBEHN CC(C)c1ccc(CN2CC[C@@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000597176237 479606351 /nfs/dbraw/zinc/60/63/51/479606351.db2.gz SRHBTCXOMCESFY-OAHLLOKOSA-N 0 3 329.404 2.832 10 5 EFBEHN CO[C@]1(CO)CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597188278 479612210 /nfs/dbraw/zinc/61/22/10/479612210.db2.gz SIOHLUCSWURSDP-GOSISDBHSA-N 0 3 346.383 2.828 10 5 EFBEHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000597225809 479630860 /nfs/dbraw/zinc/63/08/60/479630860.db2.gz VHLSBYGVBWZUMH-KGLIPLIRSA-N 0 3 344.415 2.995 10 5 EFBEHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590441272 479648144 /nfs/dbraw/zinc/64/81/44/479648144.db2.gz CZHGDNPBHNXKDA-DOMZBBRYSA-N 0 3 349.456 2.871 10 5 EFBEHN C[C@@H]1[C@@H](N(C)C)CCN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000615303186 479652299 /nfs/dbraw/zinc/65/22/99/479652299.db2.gz GHFCTHZDBLHTQR-ACJLOTCBSA-N 0 3 349.434 2.846 10 5 EFBEHN COC(=O)COc1ccc(CN2CCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000616135055 479833064 /nfs/dbraw/zinc/83/30/64/479833064.db2.gz FYACZGOTIGKMMV-AWEZNQCLSA-N 0 3 334.372 2.521 10 5 EFBEHN COC(=O)COc1ccc(CN2CCC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000616135056 479833240 /nfs/dbraw/zinc/83/32/40/479833240.db2.gz FYACZGOTIGKMMV-CQSZACIVSA-N 0 3 334.372 2.521 10 5 EFBEHN O=C1[C@H](NCCc2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1 ZINC000609465985 480164140 /nfs/dbraw/zinc/16/41/40/480164140.db2.gz VMQNQNAIPAADJP-QGZVFWFLSA-N 0 3 325.368 2.532 10 5 EFBEHN CC[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H](C)N1 ZINC000620899333 480265039 /nfs/dbraw/zinc/26/50/39/480265039.db2.gz CUJGUIKGCSXNPR-DZGCQCFKSA-N 0 3 349.434 2.894 10 5 EFBEHN COC1CCC(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000610540427 480333055 /nfs/dbraw/zinc/33/30/55/480333055.db2.gz CXZMONUXOGSHOX-UHFFFAOYSA-N 0 3 336.388 2.661 10 5 EFBEHN Cc1c(CC(=O)N[C@H](CN(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000160006929 533837154 /nfs/dbraw/zinc/83/71/54/533837154.db2.gz MCQGOPJKTKVEEL-QGZVFWFLSA-N 0 3 341.411 2.865 10 5 EFBEHN CC(C)N(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000077322825 519654065 /nfs/dbraw/zinc/65/40/65/519654065.db2.gz VMNKIJNZLQVKSM-UHFFFAOYSA-N 0 3 336.388 2.851 10 5 EFBEHN CCOCCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000245706205 519920430 /nfs/dbraw/zinc/92/04/30/519920430.db2.gz FDHYIFWPXKNHOX-IQIBNGDESA-N 0 3 333.432 2.651 10 5 EFBEHN CCOc1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000119102843 520898392 /nfs/dbraw/zinc/89/83/92/520898392.db2.gz DZURBCUNOFRJTL-GJZGRUSLSA-N 0 3 347.415 2.550 10 5 EFBEHN CCN1CCC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000119093889 521645108 /nfs/dbraw/zinc/64/51/08/521645108.db2.gz YVRFXPLKJNQTJR-HNNXBMFYSA-N 0 3 346.431 2.753 10 5 EFBEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245477837 521653001 /nfs/dbraw/zinc/65/30/01/521653001.db2.gz USRKBEHFKYTOQG-CABCVRRESA-N 0 3 348.447 2.646 10 5 EFBEHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000179659974 521751945 /nfs/dbraw/zinc/75/19/45/521751945.db2.gz QXQUXXXFXOGRCO-ZDUSSCGKSA-N 0 3 335.429 2.627 10 5 EFBEHN CC[C@H](NC(=O)N1CCCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176708787 522419826 /nfs/dbraw/zinc/41/98/26/522419826.db2.gz XMUVXMTWANPUPQ-KRWDZBQOSA-N 0 3 346.431 2.926 10 5 EFBEHN CC[C@@H](NCc1cccnc1-n1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000178053558 522884487 /nfs/dbraw/zinc/88/44/87/522884487.db2.gz WZWAQOMLIBVELW-MRXNPFEDSA-N 0 3 338.371 2.811 10 5 EFBEHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2ccn[nH]2)CC1 ZINC000195506365 524280195 /nfs/dbraw/zinc/28/01/95/524280195.db2.gz GHNVKPRYSGIVTR-LBPRGKRZSA-N 0 3 343.387 2.525 10 5 EFBEHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1cccc(F)c1 ZINC000245571882 524291437 /nfs/dbraw/zinc/29/14/37/524291437.db2.gz BXTLMBXDNJNSJL-SCLBCKFNSA-N 0 3 345.374 2.979 10 5 EFBEHN Cc1ccc(CN(C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)o1 ZINC000117333737 524392873 /nfs/dbraw/zinc/39/28/73/524392873.db2.gz NUTURCSPHWOODU-UHFFFAOYSA-N 0 3 345.355 2.926 10 5 EFBEHN Cc1ccc([C@@H](C)NC(=O)N2CCCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000176751187 525701137 /nfs/dbraw/zinc/70/11/37/525701137.db2.gz GLNKSLKDVOWZHP-CQSZACIVSA-N 0 3 346.431 2.844 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000171642040 534886704 /nfs/dbraw/zinc/88/67/04/534886704.db2.gz IIHNSJMQFVANNA-HNNXBMFYSA-N 0 3 342.399 2.803 10 5 EFBEHN Cc1ccc([C@H](C)NC(=O)N2CCCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000176751205 525895757 /nfs/dbraw/zinc/89/57/57/525895757.db2.gz GLNKSLKDVOWZHP-AWEZNQCLSA-N 0 3 346.431 2.844 10 5 EFBEHN Cc1nc(C[C@@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000195518369 526920206 /nfs/dbraw/zinc/92/02/06/526920206.db2.gz IKFAQPQDNYTQRU-AWEZNQCLSA-N 0 3 346.387 2.620 10 5 EFBEHN Cc1nc(C[C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000195518225 526924102 /nfs/dbraw/zinc/92/41/02/526924102.db2.gz QMFVFYCMMPROMV-CQSZACIVSA-N 0 3 346.387 2.620 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000184199256 527525556 /nfs/dbraw/zinc/52/55/56/527525556.db2.gz JNJJPSQWVPHYAB-ZTODGRRHSA-N 0 3 331.416 2.939 10 5 EFBEHN CCN1CCC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175435992 529088896 /nfs/dbraw/zinc/08/88/96/529088896.db2.gz TZXSAASOFYBCCH-AWEZNQCLSA-N 0 3 334.420 2.613 10 5 EFBEHN CC(C)Oc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412126415 534942259 /nfs/dbraw/zinc/94/22/59/534942259.db2.gz KDYXVDNXYMHEAO-UKRRQHHQSA-N 0 3 349.431 2.937 10 5 EFBEHN CC(C)Oc1cc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000412188879 534942474 /nfs/dbraw/zinc/94/24/74/534942474.db2.gz FECMGAMSYMJMDH-HNNXBMFYSA-N 0 3 347.415 2.691 10 5 EFBEHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594046578 546379295 /nfs/dbraw/zinc/37/92/95/546379295.db2.gz WMECYDVKHLHPOS-SNVBAGLBSA-N 0 3 341.358 2.997 10 5 EFBEHN CCN1CCC(N(C)C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000755230024 575562934 /nfs/dbraw/zinc/56/29/34/575562934.db2.gz AGOMSLNLPNYIIR-YPKPFQOOSA-N 0 3 331.416 2.941 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2cnn(CN3CCC[C@H]4COCC[C@@H]43)c2)cc1 ZINC000756892440 575797429 /nfs/dbraw/zinc/79/74/29/575797429.db2.gz WXJDLKHZERHJRO-YJBOKZPZSA-N 0 3 342.399 2.917 10 5 EFBEHN C/C(=C/C(=O)NCCN1CC=C(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000762706011 576326151 /nfs/dbraw/zinc/32/61/51/576326151.db2.gz JKSPDFQCOMEXHO-SQFISAMPSA-N 0 3 329.400 2.766 10 5 EFBEHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000765006846 576535637 /nfs/dbraw/zinc/53/56/37/576535637.db2.gz YYXAGZCMNZMRML-YJBOKZPZSA-N 0 3 327.384 2.588 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)cc1CNCCC1CCS(=O)(=O)CC1 ZINC000768651616 577292050 /nfs/dbraw/zinc/29/20/50/577292050.db2.gz LNVNVMBMAHFLSC-UHFFFAOYSA-N 0 3 346.836 2.553 10 5 EFBEHN COc1cc(C[NH2+]CCC2SCCS2)c([N+](=O)[O-])cc1[O-] ZINC000850407512 1250469648 /nfs/dbraw/zinc/46/96/48/1250469648.db2.gz BYHJRTDDSOMBRE-UHFFFAOYSA-N 0 3 330.431 2.595 10 5 EFBEHN CC(=O)NCc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000850484712 1250499694 /nfs/dbraw/zinc/49/96/94/1250499694.db2.gz OVGBXOCMQDHSAG-GFCCVEGCSA-N 0 3 342.399 2.664 10 5 EFBEHN Cc1ccc([C@@H](C)NCC[S@@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850490809 1250505592 /nfs/dbraw/zinc/50/55/92/1250505592.db2.gz GZQPGVQPPHHSST-ZQJOYCHOSA-N 0 3 338.351 2.865 10 5 EFBEHN CO[C@@H]1CC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000851107997 1250800734 /nfs/dbraw/zinc/80/07/34/1250800734.db2.gz HNHJACHVKUWUGW-ZAZJYDDPSA-N 0 3 325.336 2.890 10 5 EFBEHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1(CCF)CC1 ZINC001691512287 1251074310 /nfs/dbraw/zinc/07/43/10/1251074310.db2.gz YTDNKDGHAIAFGE-CTYIDZIISA-N 0 3 349.406 2.719 10 5 EFBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1cc(F)c[nH]1 ZINC001273122626 1268566415 /nfs/dbraw/zinc/56/64/15/1268566415.db2.gz WPIUWBCXJGNJEN-UHFFFAOYSA-N 0 3 346.362 2.504 10 5 EFBEHN COc1cc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c([N+](=O)[O-])cc1[O-] ZINC000922969993 1276432202 /nfs/dbraw/zinc/43/22/02/1276432202.db2.gz YNOPSKLONHIKQK-ZDUSSCGKSA-N 0 3 336.388 2.890 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CC[C@@H](C4CC4)N3)n2)c1 ZINC000844915546 1279335651 /nfs/dbraw/zinc/33/56/51/1279335651.db2.gz GGKAUFOIPAXXBC-KBPBESRZSA-N 0 3 344.371 2.780 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CCC(NCc3cccnc3F)CC2)cc1 ZINC000793279607 1279525293 /nfs/dbraw/zinc/52/52/93/1279525293.db2.gz FFIZOTHNEGQOHA-UHFFFAOYSA-N 0 3 330.363 2.888 10 5 EFBEHN CC([C@H](OC(=O)[C@@H](C)c1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845875768 1279902081 /nfs/dbraw/zinc/90/20/81/1279902081.db2.gz CCADGYWLQUIBAF-RWSFTLGLSA-N 0 3 335.335 2.612 10 5 EFBEHN C[C@H](NC1CCN(C(=O)C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021167 1287402849 /nfs/dbraw/zinc/40/28/49/1287402849.db2.gz NTAKYVOHUHURMK-NSHDSACASA-N 0 3 335.379 2.786 10 5 EFBEHN CNC(=O)c1cccc(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872040261 1287408776 /nfs/dbraw/zinc/40/87/76/1287408776.db2.gz YYQKGBKRYVGLOM-GFCCVEGCSA-N 0 3 345.374 2.987 10 5 EFBEHN C[C@@H](NCCC1(CS(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086012 1287424212 /nfs/dbraw/zinc/42/42/12/1287424212.db2.gz SYSKVLCBGVXDOS-LLVKDONJSA-N 0 3 344.408 2.599 10 5 EFBEHN C[C@H](NCc1n[nH]c(-c2ccccc2)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815610897 1287633640 /nfs/dbraw/zinc/63/36/40/1287633640.db2.gz XVEAONKCJYGWKY-NSHDSACASA-N 0 3 338.371 2.813 10 5 EFBEHN C[C@H](NCc1nc(-c2ccccc2)n[nH]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815610897 1287633646 /nfs/dbraw/zinc/63/36/46/1287633646.db2.gz XVEAONKCJYGWKY-NSHDSACASA-N 0 3 338.371 2.813 10 5 EFBEHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@]1(CCO)CCOC1 ZINC000811483972 1284343122 /nfs/dbraw/zinc/34/31/22/1284343122.db2.gz NIWGMJVRFZCTII-AWEZNQCLSA-N 0 3 349.214 2.780 10 5 EFBEHN O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000747833250 1285584818 /nfs/dbraw/zinc/58/48/18/1285584818.db2.gz VEOCGIKXNUINLZ-KGLIPLIRSA-N 0 3 330.388 2.651 10 5 EFBEHN CC(COC(=O)c1cccnc1OCc1ccccc1F)[N+](=O)[O-] ZINC000813101635 1285652244 /nfs/dbraw/zinc/65/22/44/1285652244.db2.gz FZMWTEZUOWBHLY-LLVKDONJSA-N 0 3 334.303 2.622 10 5 EFBEHN CC(COC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000813101907 1285652381 /nfs/dbraw/zinc/65/23/81/1285652381.db2.gz LFMNCEAHHNWJQY-HUUCEWRRSA-N 0 3 334.416 2.538 10 5 EFBEHN CCCCc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813102541 1285654282 /nfs/dbraw/zinc/65/42/82/1285654282.db2.gz RMEXHONTSJOGRE-UKRRQHHQSA-N 0 3 348.399 2.591 10 5 EFBEHN CC(COC(=O)CSCc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813106144 1285678358 /nfs/dbraw/zinc/67/83/58/1285678358.db2.gz ZILTXYPAVRKLGK-VIFPVBQESA-N 0 3 348.218 2.891 10 5 EFBEHN COc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1Br ZINC000813110434 1285683209 /nfs/dbraw/zinc/68/32/09/1285683209.db2.gz ANIMUHHJWSOXPQ-VIFPVBQESA-N 0 3 346.177 2.599 10 5 EFBEHN Cc1ccc(/C=C/C(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000813113648 1285684073 /nfs/dbraw/zinc/68/40/73/1285684073.db2.gz SBOVTCGPUVLWKS-PORFMDCZSA-N 0 3 328.162 2.979 10 5 EFBEHN CC(COC(=O)Cc1csc(Cc2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000813113408 1285684236 /nfs/dbraw/zinc/68/42/36/1285684236.db2.gz DGOLUHCMJQWSRG-JTQLQIEISA-N 0 3 338.360 2.624 10 5 EFBEHN CC(COC(=O)CCSc1nc2ccccc2s1)[N+](=O)[O-] ZINC000813115564 1285685110 /nfs/dbraw/zinc/68/51/10/1285685110.db2.gz VKKKAIUQHXVBMN-VIFPVBQESA-N 0 3 326.399 2.987 10 5 EFBEHN CC(COC(=O)[C@H](C)Cc1ccc(F)c(Br)c1)[N+](=O)[O-] ZINC000813114782 1285685289 /nfs/dbraw/zinc/68/52/89/1285685289.db2.gz WNKRJCSDQXFQBP-BDAKNGLRSA-N 0 3 348.168 2.975 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCCN1CC ZINC001136754870 1289394708 /nfs/dbraw/zinc/39/47/08/1289394708.db2.gz GTXLLWVBFFTFMF-ZDUSSCGKSA-N 0 3 335.404 2.598 10 5 EFBEHN C[C@@H](N[C@@H]1CCC[C@]12CCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000880515126 1292525920 /nfs/dbraw/zinc/52/59/20/1292525920.db2.gz RFAQQAPSBYHRMV-VMGRFDJRSA-N 0 3 333.388 2.613 10 5 EFBEHN C[C@@H](CN(Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCOCC1 ZINC001192387441 1292887671 /nfs/dbraw/zinc/88/76/71/1292887671.db2.gz CAYJGCQGBBPSSX-OAHLLOKOSA-N 0 3 333.432 2.528 10 5 EFBEHN CC(=O)c1c(NCCCN2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000882265087 1293145554 /nfs/dbraw/zinc/14/55/54/1293145554.db2.gz PPCKDVPRCRHDAT-CYBMUJFWSA-N 0 3 335.404 2.710 10 5 EFBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001194262296 1293574506 /nfs/dbraw/zinc/57/45/06/1293574506.db2.gz MAMPPSNECPOAPR-FUHWJXTLSA-N 0 3 334.416 2.797 10 5 EFBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001194262299 1293574677 /nfs/dbraw/zinc/57/46/77/1293574677.db2.gz MAMPPSNECPOAPR-WMZOPIPTSA-N 0 3 334.416 2.797 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CC(=O)N(CC2CC2)C1 ZINC000883402795 1293580784 /nfs/dbraw/zinc/58/07/84/1293580784.db2.gz AEZQFUJHMQMRIE-DJXGBFBFSA-N 0 3 329.400 2.599 10 5 EFBEHN O=[N+]([O-])c1ccc(CNCC2(C3(O)CCC3)CCC2)c([N+](=O)[O-])c1 ZINC001197681884 1294667014 /nfs/dbraw/zinc/66/70/14/1294667014.db2.gz LJRSNKXHOXVECK-UHFFFAOYSA-N 0 3 335.360 2.678 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](c2cn(C)nn2)C1 ZINC001198612300 1295148148 /nfs/dbraw/zinc/14/81/48/1295148148.db2.gz NDSJLMJFIAANLV-UONOGXRCSA-N 0 3 329.404 2.972 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C1(C2CC2)CC1 ZINC001274112760 1295463160 /nfs/dbraw/zinc/46/31/60/1295463160.db2.gz OULJKCNTFMVGOE-OWOJBTEDSA-N 0 3 329.400 2.547 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C1(F)CCCC1 ZINC001274153023 1295514888 /nfs/dbraw/zinc/51/48/88/1295514888.db2.gz IFJSWQWSOKCJMD-ONEGZZNKSA-N 0 3 335.379 2.639 10 5 EFBEHN C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)CO ZINC000926852012 1296967297 /nfs/dbraw/zinc/96/72/97/1296967297.db2.gz WNTXUBRVTRZGOT-VIFPVBQESA-N 0 3 331.210 2.854 10 5 EFBEHN O=[N+]([O-])c1cc(CN2CCN(CCCCCO)CC2)ccc1Cl ZINC000931497155 1297347726 /nfs/dbraw/zinc/34/77/26/1297347726.db2.gz OFQDKQRUYJGGDK-UHFFFAOYSA-N 0 3 341.839 2.528 10 5 EFBEHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000931627305 1297357964 /nfs/dbraw/zinc/35/79/64/1297357964.db2.gz ZMIYUBZZHAYHGL-GXSJLCMTSA-N 0 3 326.784 2.771 10 5 EFBEHN Cc1cocc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001490236566 1298656462 /nfs/dbraw/zinc/65/64/62/1298656462.db2.gz KNZYMZBYKREKKP-UHFFFAOYSA-N 0 3 331.372 2.748 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3ccccn3)C2)c1 ZINC000852086965 1299542093 /nfs/dbraw/zinc/54/20/93/1299542093.db2.gz YNLAYWHOICTEEL-YJBOKZPZSA-N 0 3 327.384 2.903 10 5 EFBEHN COC[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000852320906 1299655249 /nfs/dbraw/zinc/65/52/49/1299655249.db2.gz HEVGXBGRACPILR-AWEZNQCLSA-N 0 3 328.796 2.779 10 5 EFBEHN COC[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000852320907 1299655280 /nfs/dbraw/zinc/65/52/80/1299655280.db2.gz HEVGXBGRACPILR-CQSZACIVSA-N 0 3 328.796 2.779 10 5 EFBEHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000854513569 1300604092 /nfs/dbraw/zinc/60/40/92/1300604092.db2.gz OZXSPTJWXYZOGD-RHSMWYFYSA-N 0 3 340.383 2.679 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859824656 1301590152 /nfs/dbraw/zinc/59/01/52/1301590152.db2.gz CMQYCJSIUYHJNB-AMDHYVTDSA-N 0 3 341.795 2.588 10 5 EFBEHN CO[C@@H]1CN(C)[C@](C)(COC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000861347201 1302094132 /nfs/dbraw/zinc/09/41/32/1302094132.db2.gz HHOORPMJJAUPSM-HAMASDEPSA-N 0 3 348.399 2.651 10 5 EFBEHN CC1(C)[C@H](N)c2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000867990452 1304064027 /nfs/dbraw/zinc/06/40/27/1304064027.db2.gz CIMOILNEJLCUOE-QGZVFWFLSA-N 0 3 341.367 2.799 10 5 EFBEHN Cc1ccncc1CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000796507929 1304636737 /nfs/dbraw/zinc/63/67/37/1304636737.db2.gz GGKZXEGBQOOYNA-UHFFFAOYSA-N 0 3 346.362 2.898 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871156655 1305849809 /nfs/dbraw/zinc/84/98/09/1305849809.db2.gz HRHHHDQWXIQQKP-UHFFFAOYSA-N 0 3 335.404 2.550 10 5 EFBEHN CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000900662866 1308491750 /nfs/dbraw/zinc/49/17/50/1308491750.db2.gz AWKILRVBVZXTKW-LLVKDONJSA-N 0 3 341.770 2.696 10 5 EFBEHN Cc1cc([C@@H](N)CC(=O)NCc2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000827821309 1316020003 /nfs/dbraw/zinc/02/00/03/1316020003.db2.gz VMWNDKBGPBUKCR-AWEZNQCLSA-N 0 3 348.790 2.658 10 5 EFBEHN CN(CCCNC(=O)C1(F)CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265004772 1316686765 /nfs/dbraw/zinc/68/67/65/1316686765.db2.gz WVZUOQZAYACAHL-UHFFFAOYSA-N 0 3 337.395 2.815 10 5 EFBEHN C/C(=C/C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001265529390 1316821599 /nfs/dbraw/zinc/82/15/99/1316821599.db2.gz APYFESBUQCFZNI-HQJNUACDSA-N 0 3 329.400 2.688 10 5 EFBEHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1(CCF)CC1 ZINC001316619082 1318836726 /nfs/dbraw/zinc/83/67/26/1318836726.db2.gz YTDNKDGHAIAFGE-OTVXOJSOSA-N 0 3 349.406 2.719 10 5 EFBEHN COC(=O)c1cc(N2CCN(C(C)(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC001319689065 1328951470 /nfs/dbraw/zinc/95/14/70/1328951470.db2.gz AIMQWJOITIPPAG-UHFFFAOYSA-N 0 3 335.404 2.610 10 5 EFBEHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1 ZINC001298813162 1323614459 /nfs/dbraw/zinc/61/44/59/1323614459.db2.gz FPOUMCVFJQBVPZ-INIZCTEOSA-N 0 3 349.337 2.906 10 5 EFBEHN CC[C@@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccco1 ZINC001306840679 1324724567 /nfs/dbraw/zinc/72/45/67/1324724567.db2.gz TZZSTUQBXAYTHV-IAQYHMDHSA-N 0 3 346.387 2.750 10 5 EFBEHN CC[C@H](c1ccccc1)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001307497091 1324770355 /nfs/dbraw/zinc/77/03/55/1324770355.db2.gz CUVCPBCDFHIXPU-QGZVFWFLSA-N 0 3 343.431 2.560 10 5 EFBEHN CN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC001307726261 1324778532 /nfs/dbraw/zinc/77/85/32/1324778532.db2.gz VJZPXNPJNGGHMZ-UHFFFAOYSA-N 0 3 342.237 2.883 10 5 EFBEHN CN(CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1cccc([N+](=O)[O-])c1 ZINC001316843942 1325208261 /nfs/dbraw/zinc/20/82/61/1325208261.db2.gz ZKBPDKVMIIBYSN-ZSHCYNCHSA-N 0 3 331.416 2.579 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1(F)CCCCC1 ZINC001317649304 1328235091 /nfs/dbraw/zinc/23/50/91/1328235091.db2.gz DYLYUAVDUFPXSU-UHFFFAOYSA-N 0 3 337.395 2.815 10 5 EFBEHN Cc1nsc(C)c1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001317667947 1328260906 /nfs/dbraw/zinc/26/09/06/1328260906.db2.gz VVEIVPVZFFCXHI-UHFFFAOYSA-N 0 3 348.428 2.530 10 5 EFBEHN CC1(CC(=O)NCC2(NCc3cccc([N+](=O)[O-])c3)CCC2)CC1 ZINC001326857403 1330374324 /nfs/dbraw/zinc/37/43/24/1330374324.db2.gz ZMLMVJMMGSTTOD-UHFFFAOYSA-N 0 3 331.416 2.914 10 5 EFBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)C1(CCF)CC1 ZINC001326859381 1330375063 /nfs/dbraw/zinc/37/50/63/1330375063.db2.gz JWSNXRRIFJACMS-UHFFFAOYSA-N 0 3 349.406 2.863 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C2CCCC2)c1C ZINC001339664940 1331925790 /nfs/dbraw/zinc/92/57/90/1331925790.db2.gz XKENOIPVQHFQTO-OAHLLOKOSA-N 0 3 331.416 2.958 10 5 EFBEHN CC([C@H](OC(=O)[C@@H](C)[C@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC001345234945 1332524726 /nfs/dbraw/zinc/52/47/26/1332524726.db2.gz YDAMODVZZYKONF-AZHAFVHUSA-N 0 3 325.336 2.890 10 5 EFBEHN C[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)N1[C@H](C)CC[C@@H]1C ZINC001350800922 1333135156 /nfs/dbraw/zinc/13/51/56/1333135156.db2.gz DINXOBOKGAYNKH-OUAUKWLOSA-N 0 3 341.358 2.751 10 5 EFBEHN C[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)N1[C@H](C)CC[C@@H]1C ZINC001350800919 1333135197 /nfs/dbraw/zinc/13/51/97/1333135197.db2.gz DINXOBOKGAYNKH-AXFHLTTASA-N 0 3 341.358 2.751 10 5 EFBEHN CC(C)[C@H]1CCCN1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475705 1334735222 /nfs/dbraw/zinc/73/52/22/1334735222.db2.gz STEKXDMPUPUAQV-DLBZAZTESA-N 0 3 331.416 2.989 10 5 EFBEHN CN(CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)C(C1CC1)C1CC1 ZINC000848477247 1334736110 /nfs/dbraw/zinc/73/61/10/1334736110.db2.gz NRJBGYTUTVZTBP-QGZVFWFLSA-N 0 3 343.427 2.989 10 5 EFBEHN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@@H](C2CC2)C1 ZINC000848483026 1334739290 /nfs/dbraw/zinc/73/92/90/1334739290.db2.gz XNUREJIBKSVXLD-NVXWUHKLSA-N 0 3 329.400 2.600 10 5 EFBEHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@@H](C2CC2)C1 ZINC000848483030 1334739404 /nfs/dbraw/zinc/73/94/04/1334739404.db2.gz XNUREJIBKSVXLD-WBVHZDCISA-N 0 3 329.400 2.600 10 5 EFBEHN CC[C@@H]1[C@H](C)CCN1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483892 1334740720 /nfs/dbraw/zinc/74/07/20/1334740720.db2.gz AWRBDYOZZYYZMW-KBRIMQKVSA-N 0 3 331.416 2.989 10 5 EFBEHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@H](C2CCC2)C1 ZINC000848489173 1334745889 /nfs/dbraw/zinc/74/58/89/1334745889.db2.gz QRLUPJNFBMQGMC-WMZOPIPTSA-N 0 3 343.427 2.990 10 5 EFBEHN CCOC(=O)c1cc([N+](=O)[O-])c(NCCN2CCCCC2)cc1C ZINC001458103706 1395407477 /nfs/dbraw/zinc/40/74/77/1395407477.db2.gz FOLFVCIZGBGUAH-UHFFFAOYSA-N 0 3 335.404 2.978 10 5 EFBEHN CC(C)N1CCC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001466716541 1396776738 /nfs/dbraw/zinc/77/67/38/1396776738.db2.gz KGZMIBAKHJXLLI-HNNXBMFYSA-N 0 3 333.432 2.861 10 5 EFBEHN Cc1c(CC(=O)N2CCN(C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001468224580 1396935134 /nfs/dbraw/zinc/93/51/34/1396935134.db2.gz AVSYTJYZTQIICO-UHFFFAOYSA-N 0 3 345.443 2.923 10 5 EFBEHN C[C@@H](NCc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC001473325004 1397295243 /nfs/dbraw/zinc/29/52/43/1397295243.db2.gz NDUPBDWLYLPROQ-LLVKDONJSA-N 0 3 332.360 2.550 10 5 EFBEHN CN(CCCNC(=O)CC(C)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001479794616 1397873332 /nfs/dbraw/zinc/87/33/32/1397873332.db2.gz QIZKEVPGQMUFFG-UHFFFAOYSA-N 0 3 329.347 2.578 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)/C=C\c1ccco1 ZINC001498507057 1402151810 /nfs/dbraw/zinc/15/18/10/1402151810.db2.gz CEMWIXVNGRTXAK-KTKRTIGZSA-N 0 3 343.383 2.839 10 5 EFBEHN CC/C=C(\C)C(=O)N(C)CCCNCc1csc([N+](=O)[O-])c1 ZINC001498522469 1402158911 /nfs/dbraw/zinc/15/89/11/1402158911.db2.gz AIUNCJGIHJYDRX-WUXMJOGZSA-N 0 3 325.434 2.951 10 5 EFBEHN Cc1cc(C(=O)Nc2ccc(CN(C)C)cc2F)c(N)c([N+](=O)[O-])c1 ZINC001557008764 1415101345 /nfs/dbraw/zinc/10/13/45/1415101345.db2.gz PKEIPIGBBKRDTA-UHFFFAOYSA-N 0 3 346.362 2.938 10 5 EFBEHN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCCCN2C)cc1C ZINC001559296172 1415238174 /nfs/dbraw/zinc/23/81/74/1415238174.db2.gz FDHYDHIDHIHZME-ZDUSSCGKSA-N 0 3 335.404 2.976 10 5 EFBEHN CC/C(C)=C/C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001565864091 1415438249 /nfs/dbraw/zinc/43/82/49/1415438249.db2.gz HEVJZRGBVQSQIJ-KQBPZZRCSA-N 0 3 331.416 2.936 10 5 EFBEHN CN(CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001566483661 1415576128 /nfs/dbraw/zinc/57/61/28/1415576128.db2.gz JBACQPIUOPQFDD-ZSHCYNCHSA-N 0 3 331.416 2.579 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)c(F)c1 ZINC001567509252 1416167383 /nfs/dbraw/zinc/16/73/83/1416167383.db2.gz YOMBYCQZCMVKMR-UHFFFAOYSA-N 0 3 349.337 2.735 10 5 EFBEHN Cc1sccc1CC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001567570713 1416191994 /nfs/dbraw/zinc/19/19/94/1416191994.db2.gz FNOVCUYIKVAKLI-UHFFFAOYSA-N 0 3 347.440 2.755 10 5 EFBEHN C[C@H]1CC[C@H](C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001567593243 1416202114 /nfs/dbraw/zinc/20/21/14/1416202114.db2.gz WMVKGLPKSHOOEG-KOMQPUFPSA-N 0 3 333.432 2.969 10 5 EFBEHN CN(CCCNC(=O)C1(C2CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001712953678 1418292139 /nfs/dbraw/zinc/29/21/39/1418292139.db2.gz YOVRERZSIQMECU-UHFFFAOYSA-N 0 3 331.416 2.723 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCC(C)(F)F ZINC001714724377 1418615446 /nfs/dbraw/zinc/61/54/46/1418615446.db2.gz QJIFKJDLXHGCDP-UHFFFAOYSA-N 0 3 329.347 2.578 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C12CCC(CC1)C2 ZINC001715833945 1418686395 /nfs/dbraw/zinc/68/63/95/1418686395.db2.gz LOAUNQZEHGOIAP-UPHRSURJSA-N 0 3 343.427 2.937 10 5 EFBEHN Cc1ccccc1C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001716261872 1418746180 /nfs/dbraw/zinc/74/61/80/1418746180.db2.gz BDXXDCIQDXOJME-PLNGDYQASA-N 0 3 339.395 2.979 10 5 EFBEHN CC1(C(=O)NCC2(NCc3ccc([N+](=O)[O-])cc3)CCC2)CCC1 ZINC001724794701 1425017202 /nfs/dbraw/zinc/01/72/02/1425017202.db2.gz PVAPPPLLLNNFAR-UHFFFAOYSA-N 0 3 331.416 2.914 10 5 EFBEHN CN(CCCN(C)C(=O)c1cscn1)Cc1cccc([N+](=O)[O-])c1 ZINC001724847854 1425066324 /nfs/dbraw/zinc/06/63/24/1425066324.db2.gz LKTKOJOQYGOUCM-UHFFFAOYSA-N 0 3 348.428 2.645 10 5 EFBEHN Cc1ccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000813103268 713520628 /nfs/dbraw/zinc/52/06/28/713520628.db2.gz BKXWEHYZPXPBSR-UWVGGRQHSA-N 0 3 346.177 2.733 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C1CCCN(C2CC2)C1=O ZINC000924058687 715252278 /nfs/dbraw/zinc/25/22/78/715252278.db2.gz QALXWANUJIEODK-WFASDCNBSA-N 0 3 346.383 2.908 10 5 EFBEHN CC[C@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893449128 715519538 /nfs/dbraw/zinc/51/95/38/715519538.db2.gz FMWXASHASQZIMG-HOTGVXAUSA-N 0 3 334.420 2.782 10 5 EFBEHN C/C(=C\C(=O)N[C@@]1(C)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000892781195 719164648 /nfs/dbraw/zinc/16/46/48/719164648.db2.gz WOPVAVJVBQBYES-YLZCUGDYSA-N 0 3 329.400 2.599 10 5 EFBEHN O=C(CN[C@@H]1CCOC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000925191139 724739477 /nfs/dbraw/zinc/73/94/77/724739477.db2.gz GAQOZBRKSQVTEY-OAHLLOKOSA-N 0 3 333.388 2.615 10 5 EFBEHN COC[C@H]1C[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000895623431 724229916 /nfs/dbraw/zinc/22/99/16/724229916.db2.gz RTJYRGKFWWRQTG-OCAPTIKFSA-N 0 3 335.223 2.933 10 5 EFBEHN O=C1N(CN2C[C@H]3CCCC[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154780962 728908037 /nfs/dbraw/zinc/90/80/37/728908037.db2.gz SQFOFIZFMJRZMT-HUUCEWRRSA-N 0 3 344.415 2.916 10 5 EFBEHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913814362 725875961 /nfs/dbraw/zinc/87/59/61/725875961.db2.gz UPNBOTNFTGBDDP-NEPJUHHUSA-N 0 3 341.770 2.696 10 5 EFBEHN CC(C)[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000912765409 727741740 /nfs/dbraw/zinc/74/17/40/727741740.db2.gz CJANUAIABACTLJ-HNNXBMFYSA-N 0 3 339.823 2.637 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000129590726 727934784 /nfs/dbraw/zinc/93/47/84/727934784.db2.gz GQDYKZIWHPDHOO-LLVKDONJSA-N 0 3 325.796 2.852 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000129590888 727935103 /nfs/dbraw/zinc/93/51/03/727935103.db2.gz GQDYKZIWHPDHOO-NSHDSACASA-N 0 3 325.796 2.852 10 5 EFBEHN COC(=O)/C=C/c1ccc(N2CCc3cnccc32)c([N+](=O)[O-])c1 ZINC000175006434 729471314 /nfs/dbraw/zinc/47/13/14/729471314.db2.gz NQOVPLYJNWPJKT-HWKANZROSA-N 0 3 325.324 2.870 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001648523379 1092229552 /nfs/dbraw/zinc/22/95/52/1092229552.db2.gz NSEQHQVYZRAJRY-ZYSHUDEJSA-N 0 3 348.443 2.811 10 5 EFBEHN CC(C)[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001648650104 1092245445 /nfs/dbraw/zinc/24/54/45/1092245445.db2.gz UFMNERPAAFIJMG-CHWSQXEVSA-N 0 3 337.445 2.991 10 5 EFBEHN Cc1cccc(F)c1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001267143178 1092896623 /nfs/dbraw/zinc/89/66/23/1092896623.db2.gz CGULTTPWPWMPJH-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN Cc1ccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001481202382 1095336150 /nfs/dbraw/zinc/33/61/50/1095336150.db2.gz IZBYYJKRXMNRSS-UHFFFAOYSA-N 0 3 333.413 2.827 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1cccs1 ZINC001268775065 1097623301 /nfs/dbraw/zinc/62/33/01/1097623301.db2.gz HXXHVSVYIZTUKG-UHFFFAOYSA-N 0 3 333.413 2.908 10 5 EFBEHN CN(C)Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001626399390 1099869141 /nfs/dbraw/zinc/86/91/41/1099869141.db2.gz DGIIOFSYUHRDQF-UHFFFAOYSA-N 0 3 347.346 2.813 10 5 EFBEHN CN(C)Cc1cccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001629153029 1100174657 /nfs/dbraw/zinc/17/46/57/1100174657.db2.gz PNWQGPPKASWRHF-UHFFFAOYSA-N 0 3 331.347 2.977 10 5 EFBEHN CN1CCCC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000044561318 1100307413 /nfs/dbraw/zinc/30/74/13/1100307413.db2.gz GYLIYQUHICEENW-JTQLQIEISA-N 0 3 329.198 2.649 10 5 EFBEHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001634687085 1100624099 /nfs/dbraw/zinc/62/40/99/1100624099.db2.gz QOIBBCMMULCIOQ-CZUORRHYSA-N 0 3 342.399 2.563 10 5 EFBEHN COCCN1CC[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001639488880 1100954948 /nfs/dbraw/zinc/95/49/48/1100954948.db2.gz GIZMRHVNCRYWJT-JTQLQIEISA-N 0 3 333.310 2.746 10 5 EFBEHN CN(C)CCN(C)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001639566527 1100962554 /nfs/dbraw/zinc/96/25/54/1100962554.db2.gz LBZBYSTZLIYCLO-UHFFFAOYSA-N 0 3 327.384 2.824 10 5 EFBEHN C[C@@H]1[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2Br)CCN1C ZINC001642491105 1101215888 /nfs/dbraw/zinc/21/58/88/1101215888.db2.gz OXYAZYQCFOLQMP-GHMZBOCLSA-N 0 3 342.237 2.882 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CCN[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001651438413 1101331154 /nfs/dbraw/zinc/33/11/54/1101331154.db2.gz JONSYJXWWDQKMW-CQSZACIVSA-N 0 3 328.328 2.654 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C)[C@@H](C(C)(C)C)C2)c1 ZINC001654907233 1101769261 /nfs/dbraw/zinc/76/92/61/1101769261.db2.gz JUUHGCQGQNPXFQ-MRXNPFEDSA-N 0 3 349.431 2.544 10 5 EFBEHN CN(CCCC(=O)OC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001655804845 1101891861 /nfs/dbraw/zinc/89/18/61/1101891861.db2.gz FAJJOVSQTBRGCF-HNNXBMFYSA-N 0 3 338.404 2.682 10 5 EFBEHN C[C@H](NCC1(C2(O)CCC2)CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001660106549 1102602268 /nfs/dbraw/zinc/60/22/68/1102602268.db2.gz ICLGWOSCDRXHRL-ZDUSSCGKSA-N 0 3 347.415 2.597 10 5 EFBEHN CC(C)CCC(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001271831447 1102851383 /nfs/dbraw/zinc/85/13/83/1102851383.db2.gz HUOJRVKSDHEDEJ-CALCHBBNSA-N 0 3 345.443 2.921 10 5 EFBEHN CCc1occc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001493533726 1103191837 /nfs/dbraw/zinc/19/18/37/1103191837.db2.gz JVOPMVICHPQQLS-UHFFFAOYSA-N 0 3 331.372 2.612 10 5 EFBEHN Cc1cncc(C(=O)N(C)CCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001483457922 1103753877 /nfs/dbraw/zinc/75/38/77/1103753877.db2.gz WQRJIFUJDYKDOU-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(C2CC2)C1 ZINC000906412978 1104197954 /nfs/dbraw/zinc/19/79/54/1104197954.db2.gz XKOUWVOLKQWPGV-LBPRGKRZSA-N 0 3 337.807 2.534 10 5 EFBEHN Cc1ccc(CNC[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000729679593 1104767010 /nfs/dbraw/zinc/76/70/10/1104767010.db2.gz LKUIOERWUJHGIB-KRWDZBQOSA-N 0 3 330.384 2.571 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001482945616 1105232007 /nfs/dbraw/zinc/23/20/07/1105232007.db2.gz PYESQLPEWDMOEM-ZSHCYNCHSA-N 0 3 331.416 2.579 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001668678964 1105347326 /nfs/dbraw/zinc/34/73/26/1105347326.db2.gz RBCWBWGTGYWETD-PLNGDYQASA-N 0 3 325.368 2.671 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001668678965 1105347353 /nfs/dbraw/zinc/34/73/53/1105347353.db2.gz RBCWBWGTGYWETD-SNAWJCMRSA-N 0 3 325.368 2.671 10 5 EFBEHN CC(C)(C)/C=C/C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001482991454 1105493390 /nfs/dbraw/zinc/49/33/90/1105493390.db2.gz RHWKJTSNOSPKQJ-PMXBNEBOSA-N 0 3 331.416 2.959 10 5 EFBEHN Cc1c([C@H](C)NCC(C)(C)CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000926953458 1108255168 /nfs/dbraw/zinc/25/51/68/1108255168.db2.gz LKAJDIXLBSPHDM-LBPRGKRZSA-N 0 3 328.434 2.625 10 5 EFBEHN CCN(CC)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000097102837 1108454566 /nfs/dbraw/zinc/45/45/66/1108454566.db2.gz UKBOMDUHHTZUFE-UHFFFAOYSA-N 0 3 337.423 2.753 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccc(F)s1 ZINC001483100930 1108660720 /nfs/dbraw/zinc/66/07/20/1108660720.db2.gz QTURNEYKZAYJDG-UPHRSURJSA-N 0 3 349.387 2.871 10 5 EFBEHN COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)NCC2 ZINC000022405278 202084190 /nfs/dbraw/zinc/08/41/90/202084190.db2.gz WMWABYMCPRZGDX-MRXNPFEDSA-N 0 3 344.367 2.878 10 5 EFBEHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000069629276 203029277 /nfs/dbraw/zinc/02/92/77/203029277.db2.gz CKKSREGDBGQINR-UHFFFAOYSA-N 0 3 342.399 2.502 10 5 EFBEHN Cc1c(CN(C)[C@H]2CCCN(c3cccnn3)C2)cccc1[N+](=O)[O-] ZINC000105803873 204160301 /nfs/dbraw/zinc/16/03/01/204160301.db2.gz PREOORXEMOEQLB-INIZCTEOSA-N 0 3 341.415 2.794 10 5 EFBEHN CN(c1cccnn1)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105807137 204162465 /nfs/dbraw/zinc/16/24/65/204162465.db2.gz YGQLSYLULPLJRK-UHFFFAOYSA-N 0 3 341.415 2.528 10 5 EFBEHN Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000105884783 204175679 /nfs/dbraw/zinc/17/56/79/204175679.db2.gz MRSJOYFRVVFYBV-INIZCTEOSA-N 0 3 329.404 2.715 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCCN2CCC(Cn3cccn3)CC2)cc1 ZINC000106182345 204186779 /nfs/dbraw/zinc/18/67/79/204186779.db2.gz YXZADVULGJGBFL-UHFFFAOYSA-N 0 3 344.415 2.972 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000107316782 204231803 /nfs/dbraw/zinc/23/18/03/204231803.db2.gz MZQCCVFWFIFHNF-LSDHHAIUSA-N 0 3 333.432 2.841 10 5 EFBEHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H](N2CCCC2)C1 ZINC000107527147 204240775 /nfs/dbraw/zinc/24/07/75/204240775.db2.gz HXEPHIJYWWBKQW-AWEZNQCLSA-N 0 3 335.379 2.824 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246117704 205177771 /nfs/dbraw/zinc/17/77/71/205177771.db2.gz KDOVUTCLZBRITH-UKRRQHHQSA-N 0 3 333.432 2.979 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421711125 246075853 /nfs/dbraw/zinc/07/58/53/246075853.db2.gz NSRBGKOBIHWEEP-LBPRGKRZSA-N 0 3 325.796 2.723 10 5 EFBEHN CCC[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000159709000 206259397 /nfs/dbraw/zinc/25/93/97/206259397.db2.gz PKDDQKZXAPWPQK-CQSZACIVSA-N 0 3 327.812 2.937 10 5 EFBEHN CN(c1ccccc1)c1ccc(CN[C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424199906 246696932 /nfs/dbraw/zinc/69/69/32/246696932.db2.gz LGNMBPGWDZZWBS-CRAIPNDOSA-N 0 3 327.384 2.976 10 5 EFBEHN CC[C@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000425693459 247168970 /nfs/dbraw/zinc/16/89/70/247168970.db2.gz STDBNLRBHJHCTK-BHYGNILZSA-N 0 3 346.431 2.782 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CC2CCC1CC2 ZINC000433080674 248012282 /nfs/dbraw/zinc/01/22/82/248012282.db2.gz DGKCWMXECWBRDU-KOHJWAIASA-N 0 3 333.388 2.710 10 5 EFBEHN CO[C@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000441278868 250013218 /nfs/dbraw/zinc/01/32/18/250013218.db2.gz QRWWSEWGNJIFPX-INWMFGNUSA-N 0 3 335.404 2.777 10 5 EFBEHN COc1cccc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000444178135 250268590 /nfs/dbraw/zinc/26/85/90/250268590.db2.gz BHTBDKJAFVGKJN-BETUJISGSA-N 0 3 335.404 2.596 10 5 EFBEHN COC[C@](C)(O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449384434 251007320 /nfs/dbraw/zinc/00/73/20/251007320.db2.gz NLYCSOKQNUSFHO-QGZVFWFLSA-N 0 3 334.372 2.732 10 5 EFBEHN C[C@@H]1OCC[C@@H]1N(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449676091 251113789 /nfs/dbraw/zinc/11/37/89/251113789.db2.gz FBUAAJAQOURHEB-GUYCJALGSA-N 0 3 346.383 2.827 10 5 EFBEHN C[C@@H]1OCC[C@@H]1N(CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449676598 251113984 /nfs/dbraw/zinc/11/39/84/251113984.db2.gz IJLPYZUWBSHBMR-GUYCJALGSA-N 0 3 346.383 2.827 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175519935 207136088 /nfs/dbraw/zinc/13/60/88/207136088.db2.gz KVMJEVUKWLWCCI-NSHDSACASA-N 0 3 325.796 2.852 10 5 EFBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000267630001 251207044 /nfs/dbraw/zinc/20/70/44/251207044.db2.gz GKUVEFSAVSOEPJ-IRXDYDNUSA-N 0 3 348.378 2.519 10 5 EFBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000267630005 251207998 /nfs/dbraw/zinc/20/79/98/251207998.db2.gz GKUVEFSAVSOEPJ-SJORKVTESA-N 0 3 348.378 2.519 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000177024258 207283730 /nfs/dbraw/zinc/28/37/30/207283730.db2.gz CBBWTCXJHPMQQZ-AWEZNQCLSA-N 0 3 339.823 2.733 10 5 EFBEHN COc1ccc(OC)c([C@@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000178565449 207503021 /nfs/dbraw/zinc/50/30/21/207503021.db2.gz LHCGMWZHAKWILW-SJKOYZFVSA-N 0 3 346.383 2.996 10 5 EFBEHN CC(C)c1ccc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000341278168 145024993 /nfs/dbraw/zinc/02/49/93/145024993.db2.gz UTRZGINPKBDZBD-PBHICJAKSA-N 0 3 338.448 2.966 10 5 EFBEHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000351604320 146157576 /nfs/dbraw/zinc/15/75/76/146157576.db2.gz UKQWBVFAZKRCSN-LBPRGKRZSA-N 0 3 330.340 2.850 10 5 EFBEHN COc1c(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000355803169 147068931 /nfs/dbraw/zinc/06/89/31/147068931.db2.gz RCHBTDOIOHZVDK-BETUJISGSA-N 0 3 335.404 2.596 10 5 EFBEHN Cc1c(CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000359545296 148117606 /nfs/dbraw/zinc/11/76/06/148117606.db2.gz RWWPAOYXOTXHMF-DOMZBBRYSA-N 0 3 334.420 2.527 10 5 EFBEHN CC[C@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccco1 ZINC000359570124 148126480 /nfs/dbraw/zinc/12/64/80/148126480.db2.gz ZJGSUERVGGBZTO-XHDPSFHLSA-N 0 3 346.387 2.750 10 5 EFBEHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](Cc2ccncc2)C1 ZINC000360341982 148335478 /nfs/dbraw/zinc/33/54/78/148335478.db2.gz HNUCXUIARDBWEN-INIZCTEOSA-N 0 3 327.384 2.933 10 5 EFBEHN Cc1ccnc(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000363807279 149014541 /nfs/dbraw/zinc/01/45/41/149014541.db2.gz ULWCBQFXKAYZAT-UHFFFAOYSA-N 0 3 342.399 2.952 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](Cc3ccncc3)C2)c1 ZINC000368151208 150051363 /nfs/dbraw/zinc/05/13/63/150051363.db2.gz ZHHFHCKZOPOUJL-CRAIPNDOSA-N 0 3 327.384 2.588 10 5 EFBEHN O=[N+]([O-])c1cc(CNC2(CO)Cc3ccccc3C2)ccc1Cl ZINC000369377793 150339879 /nfs/dbraw/zinc/33/98/79/150339879.db2.gz NDROBDLAYDTLIG-UHFFFAOYSA-N 0 3 332.787 2.868 10 5 EFBEHN COc1ccc(OCCN2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC000374206435 151300821 /nfs/dbraw/zinc/30/08/21/151300821.db2.gz DSOFLLYZWIPZOJ-UHFFFAOYSA-N 0 3 346.387 2.585 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000378424534 152081722 /nfs/dbraw/zinc/08/17/22/152081722.db2.gz NALWRTOJNAZOGK-WFASDCNBSA-N 0 3 326.780 2.676 10 5 EFBEHN CN1CCC[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113328517 544569790 /nfs/dbraw/zinc/56/97/90/544569790.db2.gz URCVKZSPPNVHDN-HNNXBMFYSA-N 0 3 332.429 2.902 10 5 EFBEHN CC(C)(C)[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000272264366 266208447 /nfs/dbraw/zinc/20/84/47/266208447.db2.gz AEAJPDIALMRUGZ-CJNGLKHVSA-N 0 3 349.431 2.652 10 5 EFBEHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000271117778 273099098 /nfs/dbraw/zinc/09/90/98/273099098.db2.gz WWMYQBVGPLHLNL-CYBMUJFWSA-N 0 3 330.340 2.850 10 5 EFBEHN O=C1C[C@@]2(CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)CN1 ZINC000279467436 273218506 /nfs/dbraw/zinc/21/85/06/273218506.db2.gz RVFUWMXFNNISCY-SFHVURJKSA-N 0 3 341.367 2.567 10 5 EFBEHN COc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284033810 273788655 /nfs/dbraw/zinc/78/86/55/273788655.db2.gz JLWUKNBIHUUPQP-BZNIZROVSA-N 0 3 331.372 2.570 10 5 EFBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000285453577 274002393 /nfs/dbraw/zinc/00/23/93/274002393.db2.gz YRNIJRZBRKAWIH-GOSISDBHSA-N 0 3 344.411 2.647 10 5 EFBEHN C[C@H]1CCCCN1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286124004 274138365 /nfs/dbraw/zinc/13/83/65/274138365.db2.gz MOLZRCIRPZGOKR-NSHDSACASA-N 0 3 331.376 2.530 10 5 EFBEHN C[C@@H]1COCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000336806892 274380115 /nfs/dbraw/zinc/38/01/15/274380115.db2.gz DFPBIZXDXYUIRN-BXKDBHETSA-N 0 3 329.194 2.872 10 5 EFBEHN C[C@@H]1C[C@@H](C)[C@@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000355789555 274384692 /nfs/dbraw/zinc/38/46/92/274384692.db2.gz XIEGERBGVNEKTO-MGPQQGTHSA-N 0 3 331.416 2.850 10 5 EFBEHN C[C@@H]1C[C@@H]1N1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000447588485 274397367 /nfs/dbraw/zinc/39/73/67/274397367.db2.gz VBABQASRETYUDD-ZPUIDXCVSA-N 0 3 329.400 2.571 10 5 EFBEHN C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000355789548 274399492 /nfs/dbraw/zinc/39/94/92/274399492.db2.gz XIEGERBGVNEKTO-HZSPNIEDSA-N 0 3 331.416 2.850 10 5 EFBEHN O=[N+]([O-])c1ccc(NC[C@@H](O)CN2CCCCC2)c(C(F)(F)F)c1 ZINC000174685389 275037144 /nfs/dbraw/zinc/03/71/44/275037144.db2.gz JTWMGEVNMJNUBG-GFCCVEGCSA-N 0 3 347.337 2.872 10 5 EFBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130367699 275594188 /nfs/dbraw/zinc/59/41/88/275594188.db2.gz JWGVFKXCWGJXPG-CYBMUJFWSA-N 0 3 344.415 2.849 10 5 EFBEHN CCN(CC)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000447681211 276336262 /nfs/dbraw/zinc/33/62/62/276336262.db2.gz XBLAVZQUBSEOKT-HNNXBMFYSA-N 0 3 343.387 2.981 10 5 EFBEHN CN1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000189754869 277168022 /nfs/dbraw/zinc/16/80/22/277168022.db2.gz BXUSZYOKVMWFRR-HOCLYGCPSA-N 0 3 341.371 2.557 10 5 EFBEHN C[C@H](N[C@H]1CCCN(c2ncccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000192811091 278281337 /nfs/dbraw/zinc/28/13/37/278281337.db2.gz HKVZNLZHQZILQA-ZFWWWQNUSA-N 0 3 327.388 2.704 10 5 EFBEHN C[C@@H]1C[C@@H]1N1C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000447588482 278937644 /nfs/dbraw/zinc/93/76/44/278937644.db2.gz VBABQASRETYUDD-DTJGQCLQSA-N 0 3 329.400 2.571 10 5 EFBEHN NC(=O)c1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000152967598 293354378 /nfs/dbraw/zinc/35/43/78/293354378.db2.gz XUHHXHDTVAGIGY-INIZCTEOSA-N 0 3 347.415 2.617 10 5 EFBEHN CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000294788416 295227614 /nfs/dbraw/zinc/22/76/14/295227614.db2.gz APJUNOPPOAYOKY-MRXNPFEDSA-N 0 3 333.432 2.555 10 5 EFBEHN C[C@@H](N[C@@H]1CCOC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295202512 295281866 /nfs/dbraw/zinc/28/18/66/295281866.db2.gz KYRAWFUZGHSREB-NOZJJQNGSA-N 0 3 341.795 2.732 10 5 EFBEHN C[C@@H](N[C@@H]1CCOC1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000295207170 295282312 /nfs/dbraw/zinc/28/23/12/295282312.db2.gz LQVBGUKRQUEKIT-NOZJJQNGSA-N 0 3 341.795 2.732 10 5 EFBEHN COc1cccc(N2CC[C@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000340024416 295306010 /nfs/dbraw/zinc/30/60/10/295306010.db2.gz ZIVVJGLNQQERGX-HNNXBMFYSA-N 0 3 349.431 2.685 10 5 EFBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000298960887 311037606 /nfs/dbraw/zinc/03/76/06/311037606.db2.gz LBYBXIPVEXHTHW-AWEZNQCLSA-N 0 3 333.413 2.559 10 5 EFBEHN COC(=O)/C=C/c1ccc(NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000301214390 311124902 /nfs/dbraw/zinc/12/49/02/311124902.db2.gz XGMAJHFZKSLSLE-OWNNVSBGSA-N 0 3 333.388 2.535 10 5 EFBEHN Cc1cc(N2CC[C@@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000301814925 311159767 /nfs/dbraw/zinc/15/97/67/311159767.db2.gz INBJEYGTLWJINZ-QGZVFWFLSA-N 0 3 333.432 2.984 10 5 EFBEHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000302169599 311182113 /nfs/dbraw/zinc/18/21/13/311182113.db2.gz TYZSWDVBPSKOGP-RISCZKNCSA-N 0 3 333.417 2.941 10 5 EFBEHN Cc1sc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330663212 311327687 /nfs/dbraw/zinc/32/76/87/311327687.db2.gz STOPUYSJJWXTGO-MNOVXSKESA-N 0 3 325.434 2.815 10 5 EFBEHN Cc1ccc([C@@H](C)NC(=O)NC[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000417818188 312274776 /nfs/dbraw/zinc/27/47/76/312274776.db2.gz AQNDBILGRQCIAR-CJNGLKHVSA-N 0 3 342.399 2.963 10 5 EFBEHN Cc1nn(C)c(Nc2cccc3c2OCC[C@@H]3N(C)C)c1[N+](=O)[O-] ZINC000432940716 312587594 /nfs/dbraw/zinc/58/75/94/312587594.db2.gz WGCGQZMIWPFMKI-ZDUSSCGKSA-N 0 3 331.376 2.766 10 5 EFBEHN COc1cc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1[O-] ZINC000438334095 312612327 /nfs/dbraw/zinc/61/23/27/312612327.db2.gz JXKCKUSBQLVGAM-KRWDZBQOSA-N 0 3 338.404 2.730 10 5 EFBEHN Cc1c(CC(=O)NCCN2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000438990210 312629432 /nfs/dbraw/zinc/62/94/32/312629432.db2.gz XIXPNQJZGSBCOD-ZIAGYGMSSA-N 0 3 333.432 2.825 10 5 EFBEHN Cc1c(CC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000438990208 312629811 /nfs/dbraw/zinc/62/98/11/312629811.db2.gz XIXPNQJZGSBCOD-KBPBESRZSA-N 0 3 333.432 2.825 10 5 EFBEHN C[C@H](NC[C@@H]1CS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453239369 312884178 /nfs/dbraw/zinc/88/41/78/312884178.db2.gz UCSKRAWVGRGRFJ-GXTWGEPZSA-N 0 3 346.408 2.817 10 5 EFBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337634 316154500 /nfs/dbraw/zinc/15/45/00/316154500.db2.gz KCYQBKSISJCDQW-OKILXGFUSA-N 0 3 334.420 2.657 10 5 EFBEHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1)N(C)C ZINC000526952014 316310270 /nfs/dbraw/zinc/31/02/70/316310270.db2.gz OGCODPFNUCTWRJ-CXAGYDPISA-N 0 3 342.399 2.719 10 5 EFBEHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531633741 317293960 /nfs/dbraw/zinc/29/39/60/317293960.db2.gz IXIAWFBNWXEAMG-KRWDZBQOSA-N 0 3 340.383 2.557 10 5 EFBEHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCN(C)c1ccncc1 ZINC000553063725 318269958 /nfs/dbraw/zinc/26/99/58/318269958.db2.gz LVWIQHZPBKBCSW-UHFFFAOYSA-N 0 3 342.399 2.517 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000558716452 318489105 /nfs/dbraw/zinc/48/91/05/318489105.db2.gz MKQBGDRNKAYVJJ-ZDUSSCGKSA-N 0 3 337.807 2.867 10 5 EFBEHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc(CO)c(F)c2)n1 ZINC000564705552 318882841 /nfs/dbraw/zinc/88/28/41/318882841.db2.gz GNJRTJFOKXUVTL-HZPDHXFCSA-N 0 3 348.378 2.696 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000565895595 319013087 /nfs/dbraw/zinc/01/30/87/319013087.db2.gz VJVLJDSEXUCUNZ-KRWDZBQOSA-N 0 3 325.368 2.602 10 5 EFBEHN Cc1ccc(OC[C@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000566719829 319104152 /nfs/dbraw/zinc/10/41/52/319104152.db2.gz GXWDBNIMZIQXEL-WMLDXEAASA-N 0 3 330.384 2.994 10 5 EFBEHN CN(C)c1ccncc1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573598585 319781511 /nfs/dbraw/zinc/78/15/11/319781511.db2.gz YAPWMFOGXDXISF-UHFFFAOYSA-N 0 3 339.399 2.869 10 5 EFBEHN C[C@H](C(=O)NCCN1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000185003414 323380001 /nfs/dbraw/zinc/38/00/01/323380001.db2.gz USIROKGOBDTJSC-OLZOCXBDSA-N 0 3 337.395 2.828 10 5 EFBEHN CN1CCN(C)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C1 ZINC000095986347 473244143 /nfs/dbraw/zinc/24/41/43/473244143.db2.gz VHVBHHYZNXNJAR-UHFFFAOYSA-N 0 3 340.383 2.729 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124798763 473304706 /nfs/dbraw/zinc/30/47/06/473304706.db2.gz WEGMLUOAXJLKSF-TZMCWYRMSA-N 0 3 337.445 2.628 10 5 EFBEHN C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCCN1Cc1ccccc1 ZINC000162337924 473327391 /nfs/dbraw/zinc/32/73/91/473327391.db2.gz RQFZVUWDAVTPRL-SFHVURJKSA-N 0 3 343.383 2.972 10 5 EFBEHN CCO[C@@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C12CCOCC2 ZINC000185655883 473480706 /nfs/dbraw/zinc/48/07/06/473480706.db2.gz RTBQDDHUYBIOBR-CHWSQXEVSA-N 0 3 326.418 2.720 10 5 EFBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000113367254 473388604 /nfs/dbraw/zinc/38/86/04/473388604.db2.gz LUEOEPHBISKJQC-ZYHUDNBSSA-N 0 3 338.795 2.949 10 5 EFBEHN CN1CC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000424186075 477321610 /nfs/dbraw/zinc/32/16/10/477321610.db2.gz HHLVNRQBZVFPMF-ZDUSSCGKSA-N 0 3 343.383 2.813 10 5 EFBEHN CC[C@H]1CN(C)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000619867567 479898765 /nfs/dbraw/zinc/89/87/65/479898765.db2.gz WHUZYUIKRQPETN-LBPRGKRZSA-N 0 3 330.388 2.632 10 5 EFBEHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000006603055 471553840 /nfs/dbraw/zinc/55/38/40/471553840.db2.gz XFEQPLYOXMIRKI-BLLLJJGKSA-N 0 3 334.347 2.824 10 5 EFBEHN CN(CCc1ccc(F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000055024408 472132215 /nfs/dbraw/zinc/13/22/15/472132215.db2.gz PCXXOOJRTRPMCJ-QGZVFWFLSA-N 0 3 348.374 2.648 10 5 EFBEHN CCOc1ccc(C(=O)N2CCCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000068800526 472247239 /nfs/dbraw/zinc/24/72/39/472247239.db2.gz GLCJNEAQZDASBZ-UHFFFAOYSA-N 0 3 335.404 2.550 10 5 EFBEHN O=C1CC[C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000076759023 472399876 /nfs/dbraw/zinc/39/98/76/472399876.db2.gz ZLESJVTWKKKMPZ-NSHDSACASA-N 0 3 331.397 2.692 10 5 EFBEHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(Cl)c1 ZINC000097033147 472414054 /nfs/dbraw/zinc/41/40/54/472414054.db2.gz YFMBXMFTGKYAFV-SNVBAGLBSA-N 0 3 339.754 2.900 10 5 EFBEHN CC(C)N1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155677124 472593561 /nfs/dbraw/zinc/59/35/61/472593561.db2.gz KSSNUYPTNQRDDY-LRDDRELGSA-N 0 3 346.431 2.628 10 5 EFBEHN C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](C)C1 ZINC000119883819 472596565 /nfs/dbraw/zinc/59/65/65/472596565.db2.gz DTALBEBTDQRBBH-STQMWFEESA-N 0 3 344.415 2.926 10 5 EFBEHN CC1CCN(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000119884309 472597558 /nfs/dbraw/zinc/59/75/58/472597558.db2.gz PENVYGNFWRWUOT-UHFFFAOYSA-N 0 3 330.388 2.538 10 5 EFBEHN Cc1nc2n(n1)CCC[C@H]2N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090224247 472609728 /nfs/dbraw/zinc/60/97/28/472609728.db2.gz MVAKXBFODJFOOC-CVEARBPZSA-N 0 3 341.415 2.941 10 5 EFBEHN O=[N+]([O-])c1cnn(CCN[C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000090538833 472631711 /nfs/dbraw/zinc/63/17/11/472631711.db2.gz WSRGSMCKJNWORM-AWEZNQCLSA-N 0 3 336.779 2.948 10 5 EFBEHN Cc1nccn1-c1ccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538530 472632031 /nfs/dbraw/zinc/63/20/31/472632031.db2.gz LHOXKWSZZUSKSR-ZDUSSCGKSA-N 0 3 340.387 2.636 10 5 EFBEHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000078870247 472780471 /nfs/dbraw/zinc/78/04/71/472780471.db2.gz LZMLDTKOCNKTJF-QWRGUYRKSA-N 0 3 325.796 2.803 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000078870245 472780980 /nfs/dbraw/zinc/78/09/80/472780980.db2.gz LZMLDTKOCNKTJF-MNOVXSKESA-N 0 3 325.796 2.803 10 5 EFBEHN Cn1ccnc1CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000105876672 472794592 /nfs/dbraw/zinc/79/45/92/472794592.db2.gz HFTTYAVKVVRCBH-UHFFFAOYSA-N 0 3 344.415 2.662 10 5 EFBEHN Cc1cnn([C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000106221235 472833740 /nfs/dbraw/zinc/83/37/40/472833740.db2.gz SBMMNMALNSSZRJ-INIZCTEOSA-N 0 3 330.388 2.816 10 5 EFBEHN Cc1cnn([C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000106221232 472834660 /nfs/dbraw/zinc/83/46/60/472834660.db2.gz SBMMNMALNSSZRJ-MRXNPFEDSA-N 0 3 330.388 2.816 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1CCCCO1 ZINC000121841299 472928183 /nfs/dbraw/zinc/92/81/83/472928183.db2.gz FOMZRPVFUXFQFC-HNNXBMFYSA-N 0 3 335.404 2.733 10 5 EFBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134685515 472952774 /nfs/dbraw/zinc/95/27/74/472952774.db2.gz OJFUDLBLAQQPEY-CYBMUJFWSA-N 0 3 327.812 2.954 10 5 EFBEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000159588282 473041490 /nfs/dbraw/zinc/04/14/90/473041490.db2.gz SZUMGPORBXPOFH-OLZOCXBDSA-N 0 3 343.383 2.941 10 5 EFBEHN O=C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1 ZINC000093101526 473042896 /nfs/dbraw/zinc/04/28/96/473042896.db2.gz SFKJFNMKMWKNDE-UHFFFAOYSA-N 0 3 331.397 2.645 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000123118466 473099380 /nfs/dbraw/zinc/09/93/80/473099380.db2.gz FTSYRLGCEOWADK-DOMZBBRYSA-N 0 3 346.431 2.724 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000137101731 473193953 /nfs/dbraw/zinc/19/39/53/473193953.db2.gz VZXFLALPCRZKTB-NSHDSACASA-N 0 3 327.812 2.954 10 5 EFBEHN CCc1ccc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000095403811 473198257 /nfs/dbraw/zinc/19/82/57/473198257.db2.gz SDSTWVOFIPWWSY-CYBMUJFWSA-N 0 3 334.420 2.963 10 5 EFBEHN Cc1sc(C(=O)N[C@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000185423599 473422545 /nfs/dbraw/zinc/42/25/45/473422545.db2.gz MOHMDTQTLQJIOB-LLVKDONJSA-N 0 3 325.434 2.959 10 5 EFBEHN C[C@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178222467 473476431 /nfs/dbraw/zinc/47/64/31/473476431.db2.gz TZGWFMHOYKTARK-DZGCQCFKSA-N 0 3 327.388 2.704 10 5 EFBEHN CCn1cnnc1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000114562983 473481436 /nfs/dbraw/zinc/48/14/36/473481436.db2.gz KJTOGFXCNHFEDF-UHFFFAOYSA-N 0 3 329.404 2.628 10 5 EFBEHN Cc1ccc([C@@H](C)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000166529716 473527961 /nfs/dbraw/zinc/52/79/61/473527961.db2.gz NTVJYUVEDYDZCL-ZBFHGGJFSA-N 0 3 343.431 2.956 10 5 EFBEHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000152404574 473557997 /nfs/dbraw/zinc/55/79/97/473557997.db2.gz HDVQXQLNMGYCQV-CQSZACIVSA-N 0 3 327.388 2.901 10 5 EFBEHN CCOc1ccc([C@@H](C)NCCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000152628956 473583652 /nfs/dbraw/zinc/58/36/52/473583652.db2.gz WPOWARNVOKUWTQ-CYBMUJFWSA-N 0 3 335.404 2.657 10 5 EFBEHN CC[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000153802644 473643365 /nfs/dbraw/zinc/64/33/65/473643365.db2.gz FYXAJZKABDIOLF-TZMCWYRMSA-N 0 3 341.839 2.525 10 5 EFBEHN C[C@H](N[C@@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192810226 473729706 /nfs/dbraw/zinc/72/97/06/473729706.db2.gz YBOIYMWIXVPBHL-DZGCQCFKSA-N 0 3 327.388 2.704 10 5 EFBEHN CCc1nc2n(n1)C[C@@H](N[C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000192984044 473756567 /nfs/dbraw/zinc/75/65/67/473756567.db2.gz HUHIMDVDZKNTAN-BBRMVZONSA-N 0 3 341.415 2.731 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000246283048 473815264 /nfs/dbraw/zinc/81/52/64/473815264.db2.gz NWEOYSZXZJXPEG-HIFRSBDPSA-N 0 3 333.413 2.964 10 5 EFBEHN CCc1nccn1[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246363768 473840980 /nfs/dbraw/zinc/84/09/80/473840980.db2.gz XQQGMZHNAXQTKC-IAGOWNOFSA-N 0 3 344.415 2.724 10 5 EFBEHN CCc1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000173493127 473854386 /nfs/dbraw/zinc/85/43/86/473854386.db2.gz CZNLMPIOFVVRMS-JKSUJKDBSA-N 0 3 331.416 2.856 10 5 EFBEHN COc1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)cc1[N+](=O)[O-] ZINC000264359697 473962860 /nfs/dbraw/zinc/96/28/60/473962860.db2.gz RVHVPSMTRQXFCW-ZDUSSCGKSA-N 0 3 329.356 2.871 10 5 EFBEHN COc1ccc([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000180868487 473978908 /nfs/dbraw/zinc/97/89/08/473978908.db2.gz RHVFNQADZSSCDX-LRDDRELGSA-N 0 3 346.383 2.996 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000174122737 473989634 /nfs/dbraw/zinc/98/96/34/473989634.db2.gz UVYSJHDEOMVZKN-NWDGAFQWSA-N 0 3 336.392 2.550 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188120140 473991158 /nfs/dbraw/zinc/99/11/58/473991158.db2.gz ALUVSZWVJXFBQY-YOEHRIQHSA-N 0 3 348.424 2.743 10 5 EFBEHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](N2CCCCC2)C1 ZINC000264465850 474002793 /nfs/dbraw/zinc/00/27/93/474002793.db2.gz FMZSFOCSWCFHBN-AWEZNQCLSA-N 0 3 342.399 2.777 10 5 EFBEHN CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247337288 474122745 /nfs/dbraw/zinc/12/27/45/474122745.db2.gz JAQVMDFJLWNPFI-JSGCOSHPSA-N 0 3 335.404 2.548 10 5 EFBEHN O=[N+]([O-])c1ccc(NC[C@H](O)CN2CCCCC2)cc1C(F)(F)F ZINC000175013440 474131184 /nfs/dbraw/zinc/13/11/84/474131184.db2.gz VAGZRMLQWFLTMR-LBPRGKRZSA-N 0 3 347.337 2.872 10 5 EFBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265017039 474164494 /nfs/dbraw/zinc/16/44/94/474164494.db2.gz XULFHWKFMQCHCR-RISCZKNCSA-N 0 3 329.356 2.650 10 5 EFBEHN CSc1cccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-] ZINC000188922977 474235244 /nfs/dbraw/zinc/23/52/44/474235244.db2.gz LZNBQBRWBRGJMM-NWDGAFQWSA-N 0 3 335.429 2.625 10 5 EFBEHN CCN1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000175953458 474347204 /nfs/dbraw/zinc/34/72/04/474347204.db2.gz QUHVYDULXAFACE-DZGCQCFKSA-N 0 3 334.420 2.748 10 5 EFBEHN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[C@H](O)CC1 ZINC000275950565 474369466 /nfs/dbraw/zinc/36/94/66/474369466.db2.gz JHQCZTLLDVJYOP-AULYBMBSSA-N 0 3 330.331 2.932 10 5 EFBEHN C[C@@H](C(=O)NCCN1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248599917 474373281 /nfs/dbraw/zinc/37/32/81/474373281.db2.gz USIROKGOBDTJSC-QWHCGFSZSA-N 0 3 337.395 2.828 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN1C ZINC000265942503 474395972 /nfs/dbraw/zinc/39/59/72/474395972.db2.gz IFTFJNGYYRAHQC-YPMHNXCESA-N 0 3 331.372 2.896 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(CC)C1 ZINC000184763999 474603008 /nfs/dbraw/zinc/60/30/08/474603008.db2.gz RAMCVHHZOMEUCF-CVEARBPZSA-N 0 3 333.432 2.764 10 5 EFBEHN C[C@@H](NC(=O)NCCN1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249684154 474603937 /nfs/dbraw/zinc/60/39/37/474603937.db2.gz CWXCNFMGEFDQFZ-UONOGXRCSA-N 0 3 334.420 2.829 10 5 EFBEHN C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](C)C1 ZINC000249723434 474606963 /nfs/dbraw/zinc/60/69/63/474606963.db2.gz DTALBEBTDQRBBH-CHWSQXEVSA-N 0 3 344.415 2.926 10 5 EFBEHN CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000284279101 474609143 /nfs/dbraw/zinc/60/91/43/474609143.db2.gz JSJPCFMYECZKGF-KBRIMQKVSA-N 0 3 336.432 2.720 10 5 EFBEHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(C2CC2)C1 ZINC000340818811 474688537 /nfs/dbraw/zinc/68/85/37/474688537.db2.gz NPYXMLYLCPLESJ-KRWDZBQOSA-N 0 3 342.399 2.918 10 5 EFBEHN COc1ccc(CN(C)[C@@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000252512621 474690589 /nfs/dbraw/zinc/69/05/89/474690589.db2.gz TVOMOHXIRDWKOQ-SJLPKXTDSA-N 0 3 328.368 2.694 10 5 EFBEHN CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000284618393 474692924 /nfs/dbraw/zinc/69/29/24/474692924.db2.gz SSASOYIYCSKJTO-ZIAGYGMSSA-N 0 3 345.321 2.523 10 5 EFBEHN C[C@@H]1CN(CCCCNc2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000267978732 474735570 /nfs/dbraw/zinc/73/55/70/474735570.db2.gz XHDASHZJRADCGZ-TXEJJXNPSA-N 0 3 342.827 2.945 10 5 EFBEHN CN1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291919618 474751766 /nfs/dbraw/zinc/75/17/66/474751766.db2.gz LQFJBHZWNYGJDO-VIFPVBQESA-N 0 3 332.187 2.726 10 5 EFBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278730593 474800960 /nfs/dbraw/zinc/80/09/60/474800960.db2.gz LDWCRXYYWJRJOY-NWDGAFQWSA-N 0 3 348.321 2.609 10 5 EFBEHN CCN1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000293163511 474846312 /nfs/dbraw/zinc/84/63/12/474846312.db2.gz FVEYZFSZEKHJCU-JKSUJKDBSA-N 0 3 339.823 2.543 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000273440847 474898820 /nfs/dbraw/zinc/89/88/20/474898820.db2.gz RCLJSCHLOGPEPR-RTGRKSDTSA-N 0 3 349.456 2.552 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000273446555 474902212 /nfs/dbraw/zinc/90/22/12/474902212.db2.gz AYHKHAJSWLSAJO-XTZCOPOCSA-N 0 3 329.400 2.765 10 5 EFBEHN CN1C[C@@H]2CN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C[C@@H]2C1 ZINC000279203730 474964497 /nfs/dbraw/zinc/96/44/97/474964497.db2.gz MFWCPITWLPQPCR-OKILXGFUSA-N 0 3 347.418 2.727 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000261598779 474988719 /nfs/dbraw/zinc/98/87/19/474988719.db2.gz ANGYXYXFAWFQRF-KRWDZBQOSA-N 0 3 325.368 2.520 10 5 EFBEHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000281102501 475072238 /nfs/dbraw/zinc/07/22/38/475072238.db2.gz UBVQICXGPGYAGP-UKRRQHHQSA-N 0 3 341.367 2.944 10 5 EFBEHN C[C@H]1[C@H](NCc2cccc([N+](=O)[O-])c2)CC(=O)N1Cc1ccccc1 ZINC000341552569 475136662 /nfs/dbraw/zinc/13/66/62/475136662.db2.gz HCLPDAWTRRDNSW-KBXCAEBGSA-N 0 3 339.395 2.874 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1CN(C)C ZINC000361201137 475265414 /nfs/dbraw/zinc/26/54/14/475265414.db2.gz NHJPENXUCDIYJK-DOTOQJQBSA-N 0 3 333.432 2.716 10 5 EFBEHN CCOc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000347416636 475310400 /nfs/dbraw/zinc/31/04/00/475310400.db2.gz CMLIMEBPJYOBDC-UHFFFAOYSA-N 0 3 349.431 2.845 10 5 EFBEHN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(C2CC2)C1 ZINC000358126314 475421834 /nfs/dbraw/zinc/42/18/34/475421834.db2.gz GMAYWVLAGDBGPQ-CQSZACIVSA-N 0 3 349.406 2.707 10 5 EFBEHN Cc1ccncc1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361410089 475426563 /nfs/dbraw/zinc/42/65/63/475426563.db2.gz JWVJBIFABGVPJS-UHFFFAOYSA-N 0 3 328.372 2.759 10 5 EFBEHN CCOc1ccc([C@H](C)NCC[C@@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000358297099 475569287 /nfs/dbraw/zinc/56/92/87/475569287.db2.gz KRPANKZKRCBSOB-DMDKVIGKSA-N 0 3 328.434 2.801 10 5 EFBEHN COc1cc(CN2CC[C@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000361592036 475578710 /nfs/dbraw/zinc/57/87/10/475578710.db2.gz UYKCFROQNCSBIE-IBGZPJMESA-N 0 3 342.395 2.739 10 5 EFBEHN Cc1c(CNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358454533 475689810 /nfs/dbraw/zinc/68/98/10/475689810.db2.gz XCDGQPKKNAXTFK-OKILXGFUSA-N 0 3 348.447 2.965 10 5 EFBEHN C[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297457543 475764364 /nfs/dbraw/zinc/76/43/64/475764364.db2.gz CCBXPMSVNNMFJX-WWGRRREGSA-N 0 3 334.420 2.780 10 5 EFBEHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](CO)c1cccnc1)CCC2 ZINC000348643821 475798174 /nfs/dbraw/zinc/79/81/74/475798174.db2.gz OWLXYRRFPBEGBN-YJBOKZPZSA-N 0 3 327.384 2.733 10 5 EFBEHN CCCN(CCN(C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358968019 476075814 /nfs/dbraw/zinc/07/58/14/476075814.db2.gz AYGLNRILQIYGMU-UHFFFAOYSA-N 0 3 345.346 2.610 10 5 EFBEHN COc1ccccc1[C@H](CNc1ccncc1[N+](=O)[O-])N1CCCC1 ZINC000357048279 476186998 /nfs/dbraw/zinc/18/69/98/476186998.db2.gz MQXPZHWBPHADIK-INIZCTEOSA-N 0 3 342.399 2.669 10 5 EFBEHN Cc1c(NC(=O)CCN2CCC[C@@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000362447009 476258026 /nfs/dbraw/zinc/25/80/26/476258026.db2.gz JVEBWDFQAHYREY-RHSMWYFYSA-N 0 3 347.415 2.733 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CCN(C)C ZINC000354226441 476521443 /nfs/dbraw/zinc/52/14/43/476521443.db2.gz FCMIINUCLBXYQI-UHFFFAOYSA-N 0 3 328.372 2.655 10 5 EFBEHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CCOCC2)[C@@H]1C ZINC000375240010 476733806 /nfs/dbraw/zinc/73/38/06/476733806.db2.gz HFSNIROPFXUPCR-KBPBESRZSA-N 0 3 347.415 2.813 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000446315385 476859667 /nfs/dbraw/zinc/85/96/67/476859667.db2.gz IZVYEMGTWLMREY-PWSUYJOCSA-N 0 3 325.796 2.769 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452342028 476923624 /nfs/dbraw/zinc/92/36/24/476923624.db2.gz LWWPAMFQSAZOSV-AWEZNQCLSA-N 0 3 334.420 2.539 10 5 EFBEHN CC(C)n1ccc(C[C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000446849119 476927067 /nfs/dbraw/zinc/92/70/67/476927067.db2.gz LWNYOFVFGYUAJH-LBPRGKRZSA-N 0 3 342.403 2.969 10 5 EFBEHN CC1(C)CCCN[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000423162058 476948418 /nfs/dbraw/zinc/94/84/18/476948418.db2.gz KELQIKDUUBSCCF-MRXNPFEDSA-N 0 3 333.432 2.812 10 5 EFBEHN O=C(Nc1ccc2c(c1)CNC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000415997665 476985036 /nfs/dbraw/zinc/98/50/36/476985036.db2.gz QEZNBHIZIXPFKS-UHFFFAOYSA-N 0 3 338.367 2.788 10 5 EFBEHN C[C@@H](NC[C@H]1CS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453239371 477195804 /nfs/dbraw/zinc/19/58/04/477195804.db2.gz UCSKRAWVGRGRFJ-OCCSQVGLSA-N 0 3 346.408 2.817 10 5 EFBEHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CC23CC3)c1 ZINC000424185542 477320153 /nfs/dbraw/zinc/32/01/53/477320153.db2.gz PVUMRZNGKIXHGS-LLVKDONJSA-N 0 3 344.152 2.842 10 5 EFBEHN CC(C)c1ccc(CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000449358622 477560199 /nfs/dbraw/zinc/56/01/99/477560199.db2.gz COPHICMAFMGOQF-WMZOPIPTSA-N 0 3 333.432 2.623 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449359793 477560834 /nfs/dbraw/zinc/56/08/34/477560834.db2.gz RHLDINIDLSMSRN-AWEZNQCLSA-N 0 3 346.408 2.564 10 5 EFBEHN CCc1cc(CCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000450573018 477638880 /nfs/dbraw/zinc/63/88/80/477638880.db2.gz VSPBEIUELZMTND-AWEZNQCLSA-N 0 3 345.403 2.659 10 5 EFBEHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000372150191 477662813 /nfs/dbraw/zinc/66/28/13/477662813.db2.gz NIZHOWNXOMLXDV-OMWUSAIZSA-N 0 3 342.395 2.952 10 5 EFBEHN O=[N+]([O-])c1ccc2[nH]c(NC[C@H](c3ccco3)N3CCCC3)nc2c1 ZINC000427981156 477798902 /nfs/dbraw/zinc/79/89/02/477798902.db2.gz NPXZFQPUOLFEPW-OAHLLOKOSA-N 0 3 341.371 2.735 10 5 EFBEHN COc1ccc(-c2ccc(CN3C[C@@H](O)C4(CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000428388229 477883364 /nfs/dbraw/zinc/88/33/64/477883364.db2.gz VZGLHGOGTXSDIY-QGZVFWFLSA-N 0 3 344.367 2.820 10 5 EFBEHN CN(C(=O)CN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451377871 477982744 /nfs/dbraw/zinc/98/27/44/477982744.db2.gz XMDYWORMNALWRQ-AHMDFLBRSA-N 0 3 341.411 2.702 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@](O)(CO)C2)s1 ZINC000459727799 478061168 /nfs/dbraw/zinc/06/11/68/478061168.db2.gz REFQRTZWBKOMNX-KRWDZBQOSA-N 0 3 348.424 2.643 10 5 EFBEHN CNc1ccc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000517396885 478090519 /nfs/dbraw/zinc/09/05/19/478090519.db2.gz PKCRVYMAIWUSFF-CHWSQXEVSA-N 0 3 334.420 2.629 10 5 EFBEHN CCC1(N2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000600208574 478284550 /nfs/dbraw/zinc/28/45/50/478284550.db2.gz MRIFRPQOXGNXEE-UHFFFAOYSA-N 0 3 347.459 2.980 10 5 EFBEHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600227334 478297012 /nfs/dbraw/zinc/29/70/12/478297012.db2.gz AOOPBEFITUUMPD-AWEZNQCLSA-N 0 3 335.379 2.871 10 5 EFBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600473142 478381655 /nfs/dbraw/zinc/38/16/55/478381655.db2.gz RSLAZHFUMZMZNU-CQSZACIVSA-N 0 3 342.399 2.823 10 5 EFBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600473141 478381717 /nfs/dbraw/zinc/38/17/17/478381717.db2.gz RSLAZHFUMZMZNU-AWEZNQCLSA-N 0 3 342.399 2.823 10 5 EFBEHN O=C(NC[C@H]1CCN1C1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600471461 478381946 /nfs/dbraw/zinc/38/19/46/478381946.db2.gz SFZQQJDSGTUKGQ-FGTMMUONSA-N 0 3 343.427 2.831 10 5 EFBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600474020 478384651 /nfs/dbraw/zinc/38/46/51/478384651.db2.gz WEMLJWPCXWXSKZ-AWEZNQCLSA-N 0 3 342.399 2.823 10 5 EFBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600474021 478385154 /nfs/dbraw/zinc/38/51/54/478385154.db2.gz WEMLJWPCXWXSKZ-CQSZACIVSA-N 0 3 342.399 2.823 10 5 EFBEHN C[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594510064 478417380 /nfs/dbraw/zinc/41/73/80/478417380.db2.gz OEQQMAYMLIKQNR-SZOQZIPDSA-N 0 3 333.432 2.669 10 5 EFBEHN O=[N+]([O-])c1ccc2[nH]cc(CCN[C@@H]3CCCn4ccnc43)c2c1 ZINC000594525128 478426856 /nfs/dbraw/zinc/42/68/56/478426856.db2.gz SLYXXKSMZTWJEA-MRXNPFEDSA-N 0 3 325.372 2.940 10 5 EFBEHN O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OC[C@H]1CNCCO1 ZINC000594697950 478500975 /nfs/dbraw/zinc/50/09/75/478500975.db2.gz BGTLQKZRIWRDLU-MRXNPFEDSA-N 0 3 328.368 2.553 10 5 EFBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000600757324 478507309 /nfs/dbraw/zinc/50/73/09/478507309.db2.gz SFZFFSLDNFYDRQ-CWRNSKLLSA-N 0 3 334.397 2.542 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCC23CC3)cc1 ZINC000600763103 478509998 /nfs/dbraw/zinc/50/99/98/478509998.db2.gz ZYNOOXLNSDCPFW-ZDUSSCGKSA-N 0 3 338.429 2.538 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597856883 478542715 /nfs/dbraw/zinc/54/27/15/478542715.db2.gz CDMVFTYIUMARLV-LLVKDONJSA-N 0 3 330.388 2.679 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC000597858186 478544628 /nfs/dbraw/zinc/54/46/28/478544628.db2.gz LSGBOYJOXGEPSD-AWEZNQCLSA-N 0 3 349.431 2.661 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000597859094 478545046 /nfs/dbraw/zinc/54/50/46/478545046.db2.gz RUXSOIWVEYDHTF-GFCCVEGCSA-N 0 3 330.388 2.679 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000597859638 478547308 /nfs/dbraw/zinc/54/73/08/478547308.db2.gz WUKSCFSDOURBQQ-HNNXBMFYSA-N 0 3 333.432 2.861 10 5 EFBEHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cc4n(n3)CCC4)c2c1 ZINC000594950512 478600766 /nfs/dbraw/zinc/60/07/66/478600766.db2.gz APYNGOWHTKSBKP-UHFFFAOYSA-N 0 3 325.372 2.551 10 5 EFBEHN COC[C@@H](CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)OC ZINC000594955342 478602072 /nfs/dbraw/zinc/60/20/72/478602072.db2.gz NEUMHLLMORRDCZ-CQSZACIVSA-N 0 3 334.372 2.996 10 5 EFBEHN COC[C@@H](CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)OC ZINC000594954958 478602551 /nfs/dbraw/zinc/60/25/51/478602551.db2.gz IOFWCYMCDBOXFX-MRXNPFEDSA-N 0 3 334.372 2.996 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594974475 478613551 /nfs/dbraw/zinc/61/35/51/478613551.db2.gz MEFIPASHMTTZAY-MKGJVGOLSA-N 0 3 338.429 2.553 10 5 EFBEHN C[C@@]1(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(F)F ZINC000594976403 478615586 /nfs/dbraw/zinc/61/55/86/478615586.db2.gz DBIMVZBYZFPJQQ-CQSZACIVSA-N 0 3 328.315 2.891 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CNCC1(S(C)(=O)=O)CCCCC1 ZINC000594975617 478616208 /nfs/dbraw/zinc/61/62/08/478616208.db2.gz XTMFYBDJCOJCOJ-UHFFFAOYSA-N 0 3 340.445 2.740 10 5 EFBEHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000594979998 478617344 /nfs/dbraw/zinc/61/73/44/478617344.db2.gz OJOVFQKUYFFCLV-SUMWQHHRSA-N 0 3 332.379 2.968 10 5 EFBEHN COc1ccc(CNC[C@@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000594998013 478623652 /nfs/dbraw/zinc/62/36/52/478623652.db2.gz DVEZWKPJYBABDU-KRWDZBQOSA-N 0 3 341.411 2.968 10 5 EFBEHN CCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC)C1 ZINC000598042243 478628387 /nfs/dbraw/zinc/62/83/87/478628387.db2.gz WNVZXNAAOTXPKL-IXDOHACOSA-N 0 3 331.416 2.641 10 5 EFBEHN CCOc1ccc(C(=O)N(CC)[C@@H]2CCN(CC)C2)cc1[N+](=O)[O-] ZINC000598041797 478628552 /nfs/dbraw/zinc/62/85/52/478628552.db2.gz MZIAJMOKIZMVJG-CQSZACIVSA-N 0 3 335.404 2.550 10 5 EFBEHN CCOc1ccc([C@H](C)NC[C@H](OC)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000595058956 478644841 /nfs/dbraw/zinc/64/48/41/478644841.db2.gz CZHSJIDLNPSCKP-JDFRZJQESA-N 0 3 338.404 2.696 10 5 EFBEHN CO[C@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000595059017 478645293 /nfs/dbraw/zinc/64/52/93/478645293.db2.gz FHGHURQXRGHKPN-OAUYIBNBSA-N 0 3 334.416 2.958 10 5 EFBEHN CCCN1CCC(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601101252 478656289 /nfs/dbraw/zinc/65/62/89/478656289.db2.gz VOUJHTIUZUKBOL-UHFFFAOYSA-N 0 3 335.330 2.633 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCNCc2ccnn2CC2CCC2)cc1 ZINC000601106079 478660615 /nfs/dbraw/zinc/66/06/15/478660615.db2.gz LYOSHZRXFQJBBH-UHFFFAOYSA-N 0 3 330.388 2.760 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCCN(C(C)(C)C)CC1 ZINC000601108865 478661391 /nfs/dbraw/zinc/66/13/91/478661391.db2.gz NQYBCGBLTVBOLS-UHFFFAOYSA-N 0 3 349.357 2.658 10 5 EFBEHN CC[C@H](CN1CCCC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601118035 478667152 /nfs/dbraw/zinc/66/71/52/478667152.db2.gz DHNBDSOBFRKREP-SECBINFHSA-N 0 3 335.330 2.633 10 5 EFBEHN CCN1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601130360 478676058 /nfs/dbraw/zinc/67/60/58/478676058.db2.gz JEZPXCDRPHNIOX-UHFFFAOYSA-N 0 3 331.416 2.571 10 5 EFBEHN O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H](N3CCCC3)C1)CCCC2 ZINC000591898809 478684384 /nfs/dbraw/zinc/68/43/84/478684384.db2.gz FKCQFCGQGPNYRD-OAHLLOKOSA-N 0 3 330.432 2.933 10 5 EFBEHN CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H]1CCN(C2CC2)C1 ZINC000601152516 478691474 /nfs/dbraw/zinc/69/14/74/478691474.db2.gz FGFDNRZVJKXGAF-KRWDZBQOSA-N 0 3 343.427 2.712 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595258035 478704545 /nfs/dbraw/zinc/70/45/45/478704545.db2.gz QTQQUXFTENSYIP-QGZVFWFLSA-N 0 3 341.367 2.816 10 5 EFBEHN Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595259188 478705801 /nfs/dbraw/zinc/70/58/01/478705801.db2.gz YPXRFRHHANDLGN-QGZVFWFLSA-N 0 3 341.367 2.816 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCN(C(C)(C)C)C1 ZINC000601191616 478715552 /nfs/dbraw/zinc/71/55/52/478715552.db2.gz OBAHXJTWSPOOLJ-QMMMGPOBSA-N 0 3 335.330 2.632 10 5 EFBEHN CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H]1CCCN(C)C1 ZINC000601231714 478737853 /nfs/dbraw/zinc/73/78/53/478737853.db2.gz IVUKFWFOOKGFEL-INIZCTEOSA-N 0 3 331.416 2.569 10 5 EFBEHN C[C@@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN1C ZINC000601233234 478738821 /nfs/dbraw/zinc/73/88/21/478738821.db2.gz ZTGLTOWXSOGZMY-HIFRSBDPSA-N 0 3 331.416 2.615 10 5 EFBEHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CN2CCC1CC2 ZINC000601251047 478746436 /nfs/dbraw/zinc/74/64/36/478746436.db2.gz RMVHNTXHDHMECC-AWEZNQCLSA-N 0 3 338.795 2.806 10 5 EFBEHN CO[C@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000595373189 478753224 /nfs/dbraw/zinc/75/32/24/478753224.db2.gz XZTXWEHBQDDSKE-GOEBONIOSA-N 0 3 334.420 2.681 10 5 EFBEHN C[C@@H]1Cc2ccccc2[C@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564652216 478778405 /nfs/dbraw/zinc/77/84/05/478778405.db2.gz VOCIWXUFGMNTRD-AZOIQLNYSA-N 0 3 342.395 2.858 10 5 EFBEHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601311116 478779902 /nfs/dbraw/zinc/77/99/02/478779902.db2.gz YKGRKMHEYVJBJM-SUMWQHHRSA-N 0 3 343.427 2.615 10 5 EFBEHN O=[N+]([O-])c1ccccc1CN(CCn1ccnc1)[C@H]1CC[C@H](O)CC1 ZINC000592132268 478789920 /nfs/dbraw/zinc/78/99/20/478789920.db2.gz FXTNORMKNQSCQC-QAQDUYKDSA-N 0 3 344.415 2.597 10 5 EFBEHN C[C@@H](O)CCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132879 478790489 /nfs/dbraw/zinc/79/04/89/478790489.db2.gz PBJJXFOSPAERBY-DJIMGWMZSA-N 0 3 336.432 2.861 10 5 EFBEHN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2cccc(F)c2)CCC1 ZINC000592144766 478796039 /nfs/dbraw/zinc/79/60/39/478796039.db2.gz NJEONHYJVJDZLX-UHFFFAOYSA-N 0 3 331.347 2.565 10 5 EFBEHN Cc1cccc(C2(NCCn3cc([N+](=O)[O-])ccc3=O)CCC2)c1 ZINC000592146468 478796366 /nfs/dbraw/zinc/79/63/66/478796366.db2.gz QOCZSNVSIGGONC-UHFFFAOYSA-N 0 3 327.384 2.734 10 5 EFBEHN Cn1cnc(CCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000592373166 478872336 /nfs/dbraw/zinc/87/23/36/478872336.db2.gz BDYCALVHYQEHHW-UHFFFAOYSA-N 0 3 341.371 2.706 10 5 EFBEHN CC1(C)C[C@H](N(CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)CO1 ZINC000595634525 478904565 /nfs/dbraw/zinc/90/45/65/478904565.db2.gz BPKLSSMLJPWCAR-INIZCTEOSA-N 0 3 344.415 2.861 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000592516982 478926307 /nfs/dbraw/zinc/92/63/07/478926307.db2.gz MNZOQSKAFDDWSZ-ZBFHGGJFSA-N 0 3 348.399 2.772 10 5 EFBEHN CC(C)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1F ZINC000595689948 478938858 /nfs/dbraw/zinc/93/88/58/478938858.db2.gz GKVPFPKKXYYOPK-KRWDZBQOSA-N 0 3 333.363 2.883 10 5 EFBEHN C[C@H]1CC[C@H](C)N1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565281342 478966731 /nfs/dbraw/zinc/96/67/31/478966731.db2.gz MQXWGUAWTWYVQD-STQMWFEESA-N 0 3 344.415 2.608 10 5 EFBEHN NC[C@@H]1c2ccccc2CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000565363120 478989085 /nfs/dbraw/zinc/98/90/85/478989085.db2.gz GIWMMNRQVUAURX-GOSISDBHSA-N 0 3 327.384 2.532 10 5 EFBEHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000595771942 478989509 /nfs/dbraw/zinc/98/95/09/478989509.db2.gz QWFZKFGRRWOSAW-XJKSGUPXSA-N 0 3 332.379 2.968 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc3c(c2)CNCC3)c1 ZINC000565368045 478990826 /nfs/dbraw/zinc/99/08/26/478990826.db2.gz QPMAFPXBCCWARL-UHFFFAOYSA-N 0 3 342.351 2.606 10 5 EFBEHN Cc1c(C(=O)Nc2cnn(C3CCN(C)CC3)c2)cccc1[N+](=O)[O-] ZINC000601775247 478996412 /nfs/dbraw/zinc/99/64/12/478996412.db2.gz OFIKZSVEGMALNQ-UHFFFAOYSA-N 0 3 343.387 2.619 10 5 EFBEHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000595876134 479046208 /nfs/dbraw/zinc/04/62/08/479046208.db2.gz DPCAPYNDLZDNHR-HNNXBMFYSA-N 0 3 339.395 2.856 10 5 EFBEHN COCC1(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCCC1 ZINC000595908026 479062438 /nfs/dbraw/zinc/06/24/38/479062438.db2.gz DUWFQIRYPGQWEV-UHFFFAOYSA-N 0 3 335.404 2.781 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595905010 479063536 /nfs/dbraw/zinc/06/35/36/479063536.db2.gz OBJYBUHVKASBHF-HDICACEKSA-N 0 3 332.400 2.866 10 5 EFBEHN CCCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCN(C)C1 ZINC000592832156 479064672 /nfs/dbraw/zinc/06/46/72/479064672.db2.gz RRLYAVOZSSBANB-ZDUSSCGKSA-N 0 3 330.388 2.632 10 5 EFBEHN COCC1(NCc2cc([N+](=O)[O-])cc3c2OCOC3)CCCCC1 ZINC000595912063 479066536 /nfs/dbraw/zinc/06/65/36/479066536.db2.gz WNTWXXARFTUWRI-UHFFFAOYSA-N 0 3 336.388 2.900 10 5 EFBEHN COCC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000595910872 479066727 /nfs/dbraw/zinc/06/67/27/479066727.db2.gz TUUPLFYYNAGEGU-UHFFFAOYSA-N 0 3 335.404 2.781 10 5 EFBEHN CN1C[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592881867 479086962 /nfs/dbraw/zinc/08/69/62/479086962.db2.gz NWCHYZDVMFMRDB-AEFFLSMTSA-N 0 3 339.395 2.670 10 5 EFBEHN CCC(C)(C)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000601965937 479099353 /nfs/dbraw/zinc/09/93/53/479099353.db2.gz BWTMBXKBQUQFGH-UHFFFAOYSA-N 0 3 328.434 2.784 10 5 EFBEHN Cn1cc(CN[C@H]2CO[C@@H](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599006362 479123431 /nfs/dbraw/zinc/12/34/31/479123431.db2.gz HJEHGRUMBGXXJE-NVXWUHKLSA-N 0 3 342.399 2.652 10 5 EFBEHN COc1cc(NC[C@@H](O)CN2CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596078832 479124672 /nfs/dbraw/zinc/12/46/72/479124672.db2.gz UZMSAPJDKPMGAM-LLVKDONJSA-N 0 3 343.811 2.516 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCCC23CCOCC3)c1 ZINC000593030518 479133355 /nfs/dbraw/zinc/13/33/55/479133355.db2.gz XACXOQQLWNVUHN-INIZCTEOSA-N 0 3 348.399 2.820 10 5 EFBEHN COc1cc(Nc2cnn(CCN(C)C)c2)c(Cl)cc1[N+](=O)[O-] ZINC000596096550 479136342 /nfs/dbraw/zinc/13/63/42/479136342.db2.gz JMEDITIWGXHVFD-UHFFFAOYSA-N 0 3 339.783 2.759 10 5 EFBEHN CN1C(=O)c2ccccc2[C@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599074539 479150734 /nfs/dbraw/zinc/15/07/34/479150734.db2.gz NGBBSAIPZAHJIQ-FUHWJXTLSA-N 0 3 337.379 2.999 10 5 EFBEHN CNC(=O)c1ccc(NC[C@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599127167 479170311 /nfs/dbraw/zinc/17/03/11/479170311.db2.gz QJZLBMGPEZZOMJ-OAHLLOKOSA-N 0 3 346.431 2.773 10 5 EFBEHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCN1C1CCCCC1 ZINC000599128019 479172238 /nfs/dbraw/zinc/17/22/38/479172238.db2.gz VLSLJJIMDKBACS-OAHLLOKOSA-N 0 3 346.431 2.773 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CNC3(CCO)CCOCC3)o2)cc1 ZINC000610771675 479184360 /nfs/dbraw/zinc/18/43/60/479184360.db2.gz QWMABJYIKCHECZ-UHFFFAOYSA-N 0 3 346.383 2.876 10 5 EFBEHN CCC1(N2CCOCC2)CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000599183094 479199572 /nfs/dbraw/zinc/19/95/72/479199572.db2.gz GPQDIQGCKDYQMC-UHFFFAOYSA-N 0 3 333.432 2.984 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000596307332 479246464 /nfs/dbraw/zinc/24/64/64/479246464.db2.gz KRCTUADLOPCTKS-AWEZNQCLSA-N 0 3 346.431 2.772 10 5 EFBEHN CCOC(=O)Cc1ccc(NC[C@@H]2CCN2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309514 479248182 /nfs/dbraw/zinc/24/81/82/479248182.db2.gz STEQLLSRDXZVCO-AWEZNQCLSA-N 0 3 349.431 2.985 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596307892 479248467 /nfs/dbraw/zinc/24/84/67/479248467.db2.gz QGIPZGQANCEGMQ-LBPRGKRZSA-N 0 3 332.404 2.764 10 5 EFBEHN CO[C@@H](CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)cc1 ZINC000599387811 479279713 /nfs/dbraw/zinc/27/97/13/479279713.db2.gz SNXXZHMLPWIQCQ-INIZCTEOSA-N 0 3 348.378 2.955 10 5 EFBEHN COc1ccc(NC(=O)CCN2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179862 479304550 /nfs/dbraw/zinc/30/45/50/479304550.db2.gz LYLFLOSCWZAQBM-SNVBAGLBSA-N 0 3 343.330 2.519 10 5 EFBEHN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]([C@@H]3CCOC3)C1)OCCO2 ZINC000611287570 479338033 /nfs/dbraw/zinc/33/80/33/479338033.db2.gz RTBIFGDWPOXXHD-UONOGXRCSA-N 0 3 348.399 2.615 10 5 EFBEHN CS[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1N(C)C ZINC000593465166 479352803 /nfs/dbraw/zinc/35/28/03/479352803.db2.gz KBSCBUPEUKVVFA-HZPDHXFCSA-N 0 3 332.429 2.625 10 5 EFBEHN O=[N+]([O-])c1ccc2c(c1)nccc2NC1CCN([C@@H]2CCOC2)CC1 ZINC000593466723 479354170 /nfs/dbraw/zinc/35/41/70/479354170.db2.gz JRCUXASPTMFWSO-OAHLLOKOSA-N 0 3 342.399 2.808 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)(N2CCOCC2)CC1 ZINC000599620364 479355489 /nfs/dbraw/zinc/35/54/89/479355489.db2.gz ZRTQRQITHDCQBL-OAHLLOKOSA-N 0 3 333.432 2.843 10 5 EFBEHN Cc1c(NC(=O)[C@H](C)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000599624367 479357000 /nfs/dbraw/zinc/35/70/00/479357000.db2.gz CYJNIDFBHIFZTF-CTIKTKRKSA-N 0 3 335.404 2.632 10 5 EFBEHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C)(N2CCOCC2)CC1 ZINC000599623801 479357655 /nfs/dbraw/zinc/35/76/55/479357655.db2.gz XNEHKAKLLAVMNH-HNNXBMFYSA-N 0 3 333.432 2.843 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626952 479358362 /nfs/dbraw/zinc/35/83/62/479358362.db2.gz SUVYESQDXAOUFK-SPTRTOBYSA-N 0 3 341.795 2.588 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000596627328 479363018 /nfs/dbraw/zinc/36/30/18/479363018.db2.gz YIIOERJLQOHWFP-LBPRGKRZSA-N 0 3 336.392 2.598 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000599649563 479368760 /nfs/dbraw/zinc/36/87/60/479368760.db2.gz BNPKKYOHNYLFAW-GVDBMIGSSA-N 0 3 332.400 2.801 10 5 EFBEHN CN(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1cccc(F)c1 ZINC000611525315 479405058 /nfs/dbraw/zinc/40/50/58/479405058.db2.gz XLLYZCRILJZKDV-INIZCTEOSA-N 0 3 348.378 2.523 10 5 EFBEHN NC(=O)[C@H]1C[C@@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000593716916 479433302 /nfs/dbraw/zinc/43/33/02/479433302.db2.gz LSPUILGABAAMPN-UXLLHSPISA-N 0 3 325.368 2.538 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](NCC[C@]2(O)CCOC2)c2ccccc2)c1 ZINC000593725876 479436075 /nfs/dbraw/zinc/43/60/75/479436075.db2.gz ZXXGADGGUOFSLW-OALUTQOASA-N 0 3 342.395 2.815 10 5 EFBEHN CCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CCN(C)C1 ZINC000599834350 479445805 /nfs/dbraw/zinc/44/58/05/479445805.db2.gz HRXIPJNKLRCKNM-GFCCVEGCSA-N 0 3 343.387 2.701 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3ccccc3CC2)c1 ZINC000589499970 479533149 /nfs/dbraw/zinc/53/31/49/479533149.db2.gz MJQOYSXDOFVIQP-UHFFFAOYSA-N 0 3 340.379 2.982 10 5 EFBEHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCCO1 ZINC000594045731 479566088 /nfs/dbraw/zinc/56/60/88/479566088.db2.gz YZRONQRCQWLGJB-HOCLYGCPSA-N 0 3 335.404 2.779 10 5 EFBEHN CCCCN(C)CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597104178 479574589 /nfs/dbraw/zinc/57/45/89/479574589.db2.gz OXJSVKYMQHFVMZ-UHFFFAOYSA-N 0 3 343.815 2.684 10 5 EFBEHN CN1C[C@H]2[C@@H](CCN2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000590052933 479597314 /nfs/dbraw/zinc/59/73/14/479597314.db2.gz QRWBQCKEUGZGRP-BBRMVZONSA-N 0 3 344.440 2.854 10 5 EFBEHN CN1C[C@@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000590053070 479597757 /nfs/dbraw/zinc/59/77/57/479597757.db2.gz WIWMGAYCIPJWOS-WMLDXEAASA-N 0 3 327.384 2.991 10 5 EFBEHN CO[C@]1(CO)CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597187540 479612260 /nfs/dbraw/zinc/61/22/60/479612260.db2.gz NONXQCOTIKJOKA-GOSISDBHSA-N 0 3 346.383 2.828 10 5 EFBEHN CC(C)c1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000615193546 479626081 /nfs/dbraw/zinc/62/60/81/479626081.db2.gz LUPJCRZUSJWJJA-UHFFFAOYSA-N 0 3 345.403 2.729 10 5 EFBEHN C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000615303190 479651784 /nfs/dbraw/zinc/65/17/84/479651784.db2.gz GHFCTHZDBLHTQR-UGSOOPFHSA-N 0 3 349.434 2.846 10 5 EFBEHN CCC(=O)c1ccc(Nc2cnn(CCN(C)C)c2)c([N+](=O)[O-])c1 ZINC000619479096 479806575 /nfs/dbraw/zinc/80/65/75/479806575.db2.gz NFJAETOTUCWARO-UHFFFAOYSA-N 0 3 331.376 2.689 10 5 EFBEHN Cc1ccc([C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)N(C)C)cc1 ZINC000619570538 479831292 /nfs/dbraw/zinc/83/12/92/479831292.db2.gz BTKXXFSUSAHEFP-QGZVFWFLSA-N 0 3 344.415 2.693 10 5 EFBEHN CC[C@@H](CN1CCCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000609833858 480211135 /nfs/dbraw/zinc/21/11/35/480211135.db2.gz YWRRTQFTWCBDFG-LBPRGKRZSA-N 0 3 330.388 2.680 10 5 EFBEHN C[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccncc1 ZINC000610517838 480328308 /nfs/dbraw/zinc/32/83/08/480328308.db2.gz WTCGVFWDWPVSMX-LBPRGKRZSA-N 0 3 329.356 2.654 10 5 EFBEHN C[C@H](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N(C)C ZINC000617758194 480354516 /nfs/dbraw/zinc/35/45/16/480354516.db2.gz JMRFMSWFHKZESH-CYBMUJFWSA-N 0 3 337.423 2.751 10 5 EFBEHN COc1cc(C[NH2+]C[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000191675918 533882227 /nfs/dbraw/zinc/88/22/27/533882227.db2.gz KEPKYLWJUZGILV-QGZVFWFLSA-N 0 3 338.404 2.730 10 5 EFBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000131960355 534320147 /nfs/dbraw/zinc/32/01/47/534320147.db2.gz JWNBCBAXBXYBHZ-AWEZNQCLSA-N 0 3 347.802 2.899 10 5 EFBEHN CCOc1ccc(C(=O)N(C)C[C@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000176979529 520890858 /nfs/dbraw/zinc/89/08/58/520890858.db2.gz JSQBLQCKKMKKOW-CQSZACIVSA-N 0 3 335.404 2.550 10 5 EFBEHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1nccs1 ZINC000121206878 520981257 /nfs/dbraw/zinc/98/12/57/520981257.db2.gz LZOVUPDONQFNPS-UHFFFAOYSA-N 0 3 348.428 2.945 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177418797 521630012 /nfs/dbraw/zinc/63/00/12/521630012.db2.gz MSLJKSSWPHWULD-XJKSGUPXSA-N 0 3 334.420 2.782 10 5 EFBEHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000179659963 521750760 /nfs/dbraw/zinc/75/07/60/521750760.db2.gz QXQUXXXFXOGRCO-CYBMUJFWSA-N 0 3 335.429 2.627 10 5 EFBEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000180614499 522524441 /nfs/dbraw/zinc/52/44/41/522524441.db2.gz XNRUPOCJXYKSMC-OLZOCXBDSA-N 0 3 329.404 2.723 10 5 EFBEHN CCc1nc2n(n1)C[C@@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)CC2 ZINC000180632159 522527844 /nfs/dbraw/zinc/52/78/44/522527844.db2.gz ZLUYHHAVXHTTQL-DZGCQCFKSA-N 0 3 329.404 2.804 10 5 EFBEHN Cc1nc(C[C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000195518370 526922667 /nfs/dbraw/zinc/92/26/67/526922667.db2.gz IKFAQPQDNYTQRU-CQSZACIVSA-N 0 3 346.387 2.620 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000246225912 527394544 /nfs/dbraw/zinc/39/45/44/527394544.db2.gz FIGDBJOYJPJDGG-AYOQOUSVSA-N 0 3 345.443 2.577 10 5 EFBEHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000183363128 527854770 /nfs/dbraw/zinc/85/47/70/527854770.db2.gz MCLIWDRVEOEQJA-IAGOWNOFSA-N 0 3 334.416 2.655 10 5 EFBEHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000181165903 528329841 /nfs/dbraw/zinc/32/98/41/528329841.db2.gz PDJGEOUMZAGKPI-CYBMUJFWSA-N 0 3 337.445 2.871 10 5 EFBEHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1cccs1 ZINC000357218585 536363904 /nfs/dbraw/zinc/36/39/04/536363904.db2.gz HYTIKJNHGLZUHT-XHDPSFHLSA-N 0 3 348.428 2.797 10 5 EFBEHN COc1cc(CN[C@@](C)(CO)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000352906064 536811795 /nfs/dbraw/zinc/81/17/95/536811795.db2.gz CKMMIADHTQIGPE-HNNXBMFYSA-N 0 3 348.346 2.701 10 5 EFBEHN COc1cccc(C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000194315635 537080821 /nfs/dbraw/zinc/08/08/21/537080821.db2.gz IPYUQJDTAVDBNG-CQSZACIVSA-N 0 3 347.415 2.694 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000754255467 575411548 /nfs/dbraw/zinc/41/15/48/575411548.db2.gz CBLRPHNZUKWQSA-MLFXKNMZSA-N 0 3 329.400 2.693 10 5 EFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000755308790 575572904 /nfs/dbraw/zinc/57/29/04/575572904.db2.gz ASRVQPLMUBNLML-MOJYJUKOSA-N 0 3 329.400 2.551 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2cnn(CN3CCC[C@@H]4COCC[C@H]43)c2)cc1 ZINC000756892436 575797461 /nfs/dbraw/zinc/79/74/61/575797461.db2.gz WXJDLKHZERHJRO-CRAIPNDOSA-N 0 3 342.399 2.917 10 5 EFBEHN Cc1nn(CN2CCC[C@@H]3COCC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000761294602 576142005 /nfs/dbraw/zinc/14/20/05/576142005.db2.gz YFVNJAZXWGRXRH-CJNGLKHVSA-N 0 3 330.388 2.711 10 5 EFBEHN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000765849333 577082640 /nfs/dbraw/zinc/08/26/40/577082640.db2.gz OLOQXTWRQXYZNK-MLGOLLRUSA-N 0 3 344.367 2.750 10 5 EFBEHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000765850347 577083040 /nfs/dbraw/zinc/08/30/40/577083040.db2.gz XLNGQOIDBDPLCQ-XHDPSFHLSA-N 0 3 330.340 2.708 10 5 EFBEHN CC(C)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000771576169 581224398 /nfs/dbraw/zinc/22/43/98/581224398.db2.gz NTABHKWZOUAEHR-LLVKDONJSA-N 0 3 325.796 2.851 10 5 EFBEHN CCN1CCC[C@@H]1CNC(=S)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000774579675 581494569 /nfs/dbraw/zinc/49/45/69/581494569.db2.gz HKYPCINFYQQZEA-QWHCGFSZSA-N 0 3 336.461 2.604 10 5 EFBEHN CCN1CCC[C@@H]1CNC(=S)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000774579657 581494577 /nfs/dbraw/zinc/49/45/77/581494577.db2.gz HKYPCINFYQQZEA-CHWSQXEVSA-N 0 3 336.461 2.604 10 5 EFBEHN Cc1ccc([C@H](C)NCC[S@@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850490807 1250505218 /nfs/dbraw/zinc/50/52/18/1250505218.db2.gz GZQPGVQPPHHSST-MLMJSJRWSA-N 0 3 338.351 2.865 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(OC)CCSC1 ZINC000922572046 1266276086 /nfs/dbraw/zinc/27/60/86/1266276086.db2.gz RDXBBHQHULCTBX-OAHLLOKOSA-N 0 3 326.418 2.605 10 5 EFBEHN O=[N+]([O-])c1cnc(NC2CCN(C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000736285145 1267567846 /nfs/dbraw/zinc/56/78/46/1267567846.db2.gz HJHHFJCACHXEEI-ZDUSSCGKSA-N 0 3 340.811 2.699 10 5 EFBEHN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000843963890 1278684237 /nfs/dbraw/zinc/68/42/37/1278684237.db2.gz GNBPYDUCNMWCRD-INIZCTEOSA-N 0 3 338.383 2.788 10 5 EFBEHN CCC[C@H](C)[C@H](CO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844378589 1278955177 /nfs/dbraw/zinc/95/51/77/1278955177.db2.gz LKHSBQYLSSYSBP-GWCFXTLKSA-N 0 3 343.811 2.573 10 5 EFBEHN COCCN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000844431386 1278998373 /nfs/dbraw/zinc/99/83/73/1278998373.db2.gz DTXWAKRGKXFGJS-UHFFFAOYSA-N 0 3 341.839 2.791 10 5 EFBEHN C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000923169569 1277109211 /nfs/dbraw/zinc/10/92/11/1277109211.db2.gz DLTOFWPGQZIVPO-IUODEOHRSA-N 0 3 334.420 2.828 10 5 EFBEHN CC(C)n1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC000845875684 1279901813 /nfs/dbraw/zinc/90/18/13/1279901813.db2.gz BDWBXYJDGJOZIM-IINYFYTJSA-N 0 3 336.323 2.561 10 5 EFBEHN CC([C@@H](OC(=O)CCOCC1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881132 1279904556 /nfs/dbraw/zinc/90/45/56/1279904556.db2.gz YDWJDMXQXXIZMM-BDJLRTHQSA-N 0 3 325.336 2.892 10 5 EFBEHN COC(=O)N1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872026958 1287404510 /nfs/dbraw/zinc/40/45/10/1287404510.db2.gz JCQIYUFPZPXBAI-SNVBAGLBSA-N 0 3 325.340 2.615 10 5 EFBEHN C[C@H](NCCCN1C[C@@H](C)O[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019577 1287401206 /nfs/dbraw/zinc/40/12/06/1287401206.db2.gz WXIQZYRMUUQPPB-MCIONIFRSA-N 0 3 339.411 2.884 10 5 EFBEHN CC[C@@H]1CN(C)CCCN1C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000846989781 1280675471 /nfs/dbraw/zinc/67/54/71/1280675471.db2.gz USAIIKVCWPXZFW-WCRPCQDQSA-N 0 3 331.416 2.941 10 5 EFBEHN O=C(CN1CC[C@H](C2CCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001171332913 1281631455 /nfs/dbraw/zinc/63/14/55/1281631455.db2.gz UWAVKBVHQRCUQW-INIZCTEOSA-N 0 3 343.427 2.996 10 5 EFBEHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000810537975 1283359627 /nfs/dbraw/zinc/35/96/27/1283359627.db2.gz PEZOVHBQJAEFJJ-HNNXBMFYSA-N 0 3 327.331 2.885 10 5 EFBEHN CC(COC(=O)CCCc1cccc(Br)c1)[N+](=O)[O-] ZINC000813105493 1285645653 /nfs/dbraw/zinc/64/56/53/1285645653.db2.gz ZWBUXIBBRRUMBK-SNVBAGLBSA-N 0 3 330.178 2.980 10 5 EFBEHN CC(COC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000813101906 1285651822 /nfs/dbraw/zinc/65/18/22/1285651822.db2.gz LFMNCEAHHNWJQY-GJZGRUSLSA-N 0 3 334.416 2.538 10 5 EFBEHN CC(C)c1cc(C(=O)OCC(C)[N+](=O)[O-])c2cnn(C(C)C)c2n1 ZINC000813101802 1285651946 /nfs/dbraw/zinc/65/19/46/1285651946.db2.gz JBXYUJBGRONRAL-LLVKDONJSA-N 0 3 334.376 2.958 10 5 EFBEHN CC(COC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)[N+](=O)[O-] ZINC000813100746 1285652090 /nfs/dbraw/zinc/65/20/90/1285652090.db2.gz WIZILZBCIFMIBI-VIFPVBQESA-N 0 3 343.261 2.713 10 5 EFBEHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(C)cc1 ZINC000813102694 1285653708 /nfs/dbraw/zinc/65/37/08/1285653708.db2.gz IWGSNDYYFXZQAW-CYBMUJFWSA-N 0 3 331.372 2.955 10 5 EFBEHN CCC1(C(=O)OCC(C)[N+](=O)[O-])CCN(C(=O)c2ccccc2)CC1 ZINC000813106155 1285678296 /nfs/dbraw/zinc/67/82/96/1285678296.db2.gz ZPEIHPPJVGMILF-CQSZACIVSA-N 0 3 348.399 2.527 10 5 EFBEHN CCC1(C(=O)OCC(C)[N+](=O)[O-])CCN(C(=O)c2ccccc2)CC1 ZINC000813106154 1285679090 /nfs/dbraw/zinc/67/90/90/1285679090.db2.gz ZPEIHPPJVGMILF-AWEZNQCLSA-N 0 3 348.399 2.527 10 5 EFBEHN CCOc1cc2c(cc1/C=C\C(=O)OCC(C)[N+](=O)[O-])O[C@H](C)C2 ZINC000813109056 1285679696 /nfs/dbraw/zinc/67/96/96/1285679696.db2.gz NTOHMLPYWGJRTC-ABZJQCSKSA-N 0 3 335.356 2.630 10 5 EFBEHN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813108984 1285679819 /nfs/dbraw/zinc/67/98/19/1285679819.db2.gz CXXQXFJCORCCQA-MJBXVCDLSA-N 0 3 348.399 2.761 10 5 EFBEHN CC(COC(=O)C(C)(C)c1ccccc1Br)[N+](=O)[O-] ZINC000813112616 1285684397 /nfs/dbraw/zinc/68/43/97/1285684397.db2.gz JRCZWNJOUKGBHN-VIFPVBQESA-N 0 3 330.178 2.935 10 5 EFBEHN CCOc1ccc(C(C)(C)C(=O)OCC(C)[N+](=O)[O-])cc1OCC ZINC000813112494 1285683909 /nfs/dbraw/zinc/68/39/09/1285683909.db2.gz QRMSYNZDDSTLRO-LBPRGKRZSA-N 0 3 339.388 2.970 10 5 EFBEHN CC(COC(=O)CN(Cc1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000813112857 1285684053 /nfs/dbraw/zinc/68/40/53/1285684053.db2.gz UYGOIWQOLMCWEO-HNNXBMFYSA-N 0 3 328.368 2.902 10 5 EFBEHN CC(COC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)[N+](=O)[O-] ZINC000813112883 1285684288 /nfs/dbraw/zinc/68/42/88/1285684288.db2.gz VQZNSNXMVGACLU-VIFPVBQESA-N 0 3 340.282 2.761 10 5 EFBEHN COc1ccc(C(=O)CC(C)(C)CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114832 1285685162 /nfs/dbraw/zinc/68/51/62/1285685162.db2.gz HNCKBCFDIJSAHQ-LBPRGKRZSA-N 0 3 337.372 2.893 10 5 EFBEHN COc1cc(CN(C)C[C@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000823604901 1289380862 /nfs/dbraw/zinc/38/08/62/1289380862.db2.gz GDRILFOVGGUHNB-SFHVURJKSA-N 0 3 330.384 2.943 10 5 EFBEHN COC[C@@](C)(O)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000824559431 1289699996 /nfs/dbraw/zinc/69/99/96/1289699996.db2.gz UCCDSFZQZNXXAT-ZDUSSCGKSA-N 0 3 337.203 2.779 10 5 EFBEHN C[C@H](NC[C@@H](O)C[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000878660504 1291745700 /nfs/dbraw/zinc/74/57/00/1291745700.db2.gz UJBMEACREJIAEM-KKXDTOCCSA-N 0 3 330.384 2.730 10 5 EFBEHN O=C(Cc1cccc([N+](=O)[O-])c1)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000777322820 1295999553 /nfs/dbraw/zinc/99/95/53/1295999553.db2.gz ULWAVNOANWQNLQ-SFHVURJKSA-N 0 3 340.379 2.955 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)CC(C)(F)F ZINC001276215196 1296659636 /nfs/dbraw/zinc/65/96/36/1296659636.db2.gz SQLPYQRGEQCTPR-UHFFFAOYSA-N 0 3 329.347 2.578 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC000852086964 1299541782 /nfs/dbraw/zinc/54/17/82/1299541782.db2.gz YNLAYWHOICTEEL-QAPCUYQASA-N 0 3 327.384 2.903 10 5 EFBEHN O=[N+]([O-])c1ccccc1CN(CCOC(F)F)[C@H]1CC[C@H](O)CC1 ZINC000852205167 1299595454 /nfs/dbraw/zinc/59/54/54/1299595454.db2.gz VIOFBMWDXFTYSF-HDJSIYSDSA-N 0 3 344.358 2.940 10 5 EFBEHN C[C@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000852358829 1299674719 /nfs/dbraw/zinc/67/47/19/1299674719.db2.gz DLTOFWPGQZIVPO-SWLSCSKDSA-N 0 3 334.420 2.828 10 5 EFBEHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590098 1299687230 /nfs/dbraw/zinc/68/72/30/1299687230.db2.gz CDXKCLZDFUJGLJ-XVGQJIODSA-N 0 3 342.395 2.952 10 5 EFBEHN Cc1c[nH]cc1C(=O)N(C)CCCNCc1csc([N+](=O)[O-])c1 ZINC001276379340 1313672865 /nfs/dbraw/zinc/67/28/65/1313672865.db2.gz BLAMNNIHIYKUSZ-UHFFFAOYSA-N 0 3 336.417 2.545 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000853748270 1300256583 /nfs/dbraw/zinc/25/65/83/1300256583.db2.gz KRTUIXORDDNXOZ-ZDUSSCGKSA-N 0 3 348.403 2.836 10 5 EFBEHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860010669 1301673241 /nfs/dbraw/zinc/67/32/41/1301673241.db2.gz GUENBNGMTAAALA-KPZWWZAWSA-N 0 3 339.395 2.961 10 5 EFBEHN CO[C@@H]1CN(C)[C@](C)(COC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000861347202 1302093475 /nfs/dbraw/zinc/09/34/75/1302093475.db2.gz HHOORPMJJAUPSM-NONGLAFWSA-N 0 3 348.399 2.651 10 5 EFBEHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4ccccc43)[C@@H]2C1 ZINC000861807863 1302210088 /nfs/dbraw/zinc/21/00/88/1302210088.db2.gz GLRHYCHWXMGMRB-SUMWQHHRSA-N 0 3 325.368 2.524 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862154680 1302298332 /nfs/dbraw/zinc/29/83/32/1302298332.db2.gz SBPDWKKGTWUMJD-SNVBAGLBSA-N 0 3 325.796 2.851 10 5 EFBEHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cn(C4CC4)cn3)c2c1 ZINC000865572231 1303315290 /nfs/dbraw/zinc/31/52/90/1303315290.db2.gz LXXPECZZMMGHEQ-UHFFFAOYSA-N 0 3 325.372 2.940 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000865693863 1303367768 /nfs/dbraw/zinc/36/77/68/1303367768.db2.gz RJNKDXXKDBZDAY-UIQMYNOKSA-N 0 3 340.326 2.709 10 5 EFBEHN CC1(C)[C@H](N)c2ccccc2N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000867990302 1304063400 /nfs/dbraw/zinc/06/34/00/1304063400.db2.gz MPMXQRDHSQZEKK-QGZVFWFLSA-N 0 3 325.368 2.963 10 5 EFBEHN Cc1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)cc1[N+](=O)[O-] ZINC000867996334 1304067076 /nfs/dbraw/zinc/06/70/76/1304067076.db2.gz YBPUZPPCBOYIIC-INIZCTEOSA-N 0 3 325.368 2.754 10 5 EFBEHN CN1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1(C)C ZINC000871149893 1305835539 /nfs/dbraw/zinc/83/55/39/1305835539.db2.gz IKTSYGRLVBAYGT-UHFFFAOYSA-N 0 3 325.796 2.805 10 5 EFBEHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCC1(C)C ZINC000871154972 1305846798 /nfs/dbraw/zinc/84/67/98/1305846798.db2.gz MINWSOXRZDAYHK-UHFFFAOYSA-N 0 3 325.796 2.805 10 5 EFBEHN Cn1cc([N+](=O)[O-])c(NC[C@H]2CCCN(C)[C@H]2c2cccs2)n1 ZINC001162597739 1312132519 /nfs/dbraw/zinc/13/25/19/1312132519.db2.gz KDDFIVSYARHARD-BXUZGUMPSA-N 0 3 335.433 2.885 10 5 EFBEHN CC(C)[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC001163729267 1312373775 /nfs/dbraw/zinc/37/37/75/1312373775.db2.gz SMJYRXBOQULHEV-KRWDZBQOSA-N 0 3 343.431 2.675 10 5 EFBEHN CC[C@H](NC(=O)NC[C@@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC001231412084 1312492884 /nfs/dbraw/zinc/49/28/84/1312492884.db2.gz OHYQCDOWORCCHT-HOTGVXAUSA-N 0 3 334.420 2.829 10 5 EFBEHN C[C@H](N[C@H]1CCCN2CCSC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000903269705 1312525476 /nfs/dbraw/zinc/52/54/76/1312525476.db2.gz BCANERPNMCWZRP-WHOFXGATSA-N 0 3 339.436 2.964 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(OC)CCSC1 ZINC000903314883 1312562859 /nfs/dbraw/zinc/56/28/59/1312562859.db2.gz CUOJVBFKTBNCGV-NHYWBVRUSA-N 0 3 326.418 2.776 10 5 EFBEHN CCN(CCCNC(=O)c1cccn1C)Cc1cccc([N+](=O)[O-])c1 ZINC001265099558 1316720693 /nfs/dbraw/zinc/72/06/93/1316720693.db2.gz DXWSYUKZRCWGEF-UHFFFAOYSA-N 0 3 344.415 2.575 10 5 EFBEHN CCN(CCCNC(=O)c1ccsn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265119335 1316726186 /nfs/dbraw/zinc/72/61/86/1316726186.db2.gz CQQWVUVITBASOE-UHFFFAOYSA-N 0 3 348.428 2.693 10 5 EFBEHN O=C(NC1(CNCc2ccccc2[N+](=O)[O-])CCCC1)c1cc[nH]c1 ZINC001318637114 1328658071 /nfs/dbraw/zinc/65/80/71/1328658071.db2.gz WJYMOPLHIBNWSQ-UHFFFAOYSA-N 0 3 342.399 2.755 10 5 EFBEHN CCN(CCCNC(=O)c1ccsn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266054014 1316980092 /nfs/dbraw/zinc/98/00/92/1316980092.db2.gz FNSKMJLEAYAUEW-UHFFFAOYSA-N 0 3 348.428 2.693 10 5 EFBEHN CC(C)N1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001296125529 1322856130 /nfs/dbraw/zinc/85/61/30/1322856130.db2.gz BVKXEULVJIPZOX-CYBMUJFWSA-N 0 3 325.796 2.851 10 5 EFBEHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C(C)(C)C1 ZINC001304042399 1324633683 /nfs/dbraw/zinc/63/36/83/1324633683.db2.gz IGXYIOFHEYDSBQ-CQSZACIVSA-N 0 3 337.445 2.777 10 5 EFBEHN Cc1cc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)ns1 ZINC001316821793 1325173137 /nfs/dbraw/zinc/17/31/37/1325173137.db2.gz QXIWYJMWKHWXOP-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN O=C(CC1CCCC1)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001320950210 1329323632 /nfs/dbraw/zinc/32/36/32/1329323632.db2.gz ANOOOJYCKSYLTL-ARJAWSKDSA-N 0 3 331.416 2.937 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001320945412 1329323259 /nfs/dbraw/zinc/32/32/59/1329323259.db2.gz UZBRHSFCZJULCD-OWOJBTEDSA-N 0 3 343.358 2.810 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccccc1F ZINC001317657570 1328245735 /nfs/dbraw/zinc/24/57/35/1328245735.db2.gz KDRNGFFCERDFEK-UHFFFAOYSA-N 0 3 345.374 2.525 10 5 EFBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)C1(C2CC2)CC1 ZINC001326842365 1330372008 /nfs/dbraw/zinc/37/20/08/1330372008.db2.gz BNBWGESRDSHAOA-UHFFFAOYSA-N 0 3 343.427 2.914 10 5 EFBEHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001327555389 1330497363 /nfs/dbraw/zinc/49/73/63/1330497363.db2.gz HFXTXJJDLCPKQJ-SFHVURJKSA-N 0 3 349.406 2.692 10 5 EFBEHN CC(C)[C@@H]1CCCN1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475713 1334735113 /nfs/dbraw/zinc/73/51/13/1334735113.db2.gz STEKXDMPUPUAQV-SJORKVTESA-N 0 3 331.416 2.989 10 5 EFBEHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000848489646 1334746493 /nfs/dbraw/zinc/74/64/93/1334746493.db2.gz WYYNPFIOHWEXQO-JZXOWHBKSA-N 0 3 343.427 2.990 10 5 EFBEHN COc1ccccc1[C@@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848523338 1334771977 /nfs/dbraw/zinc/77/19/77/1334771977.db2.gz AINXDLDKGPHDDT-RDJZCZTQSA-N 0 3 328.368 2.914 10 5 EFBEHN C[C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561602 1334795900 /nfs/dbraw/zinc/79/59/00/1334795900.db2.gz AEMGMFKMPPUMRR-UPJWGTAASA-N 0 3 341.839 2.836 10 5 EFBEHN O=C1O[C@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848570531 1334799567 /nfs/dbraw/zinc/79/95/67/1334799567.db2.gz MAHNWYFUHTWVBU-GDBMZVCRSA-N 0 3 331.372 2.545 10 5 EFBEHN COC[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001356535675 1335050186 /nfs/dbraw/zinc/05/01/86/1335050186.db2.gz VKTFWVNCXWYDAH-IAGOWNOFSA-N 0 3 334.347 2.745 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]12CCN(C1)CCC2 ZINC001438612024 1388698563 /nfs/dbraw/zinc/69/85/63/1388698563.db2.gz KHIGTZAHUFTRIO-QAPCUYQASA-N 0 3 331.416 2.518 10 5 EFBEHN COc1ccc([C@H](CNc2nn(C)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC001458053838 1395400487 /nfs/dbraw/zinc/40/04/87/1395400487.db2.gz MJULLDAVGBNPAE-HNNXBMFYSA-N 0 3 345.403 2.586 10 5 EFBEHN CN(C)Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001468970495 1396995261 /nfs/dbraw/zinc/99/52/61/1396995261.db2.gz OPQDODCWWNOYEV-UHFFFAOYSA-N 0 3 347.346 2.813 10 5 EFBEHN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c(F)c1 ZINC001468971484 1396995285 /nfs/dbraw/zinc/99/52/85/1396995285.db2.gz HCZCVDHTEXQXOL-UHFFFAOYSA-N 0 3 332.335 2.630 10 5 EFBEHN CC1(C(=O)NC[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001479313734 1397680066 /nfs/dbraw/zinc/68/00/66/1397680066.db2.gz QCAMWIZDXIJOOY-OTVXOJSOSA-N 0 3 331.416 2.769 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cocc1C ZINC001497434913 1401372716 /nfs/dbraw/zinc/37/27/16/1401372716.db2.gz VDKLVWVNPJTELM-UHFFFAOYSA-N 0 3 331.372 2.748 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1occc1C ZINC001497453117 1401385524 /nfs/dbraw/zinc/38/55/24/1401385524.db2.gz RFOAJMMRVIFTDJ-UHFFFAOYSA-N 0 3 345.399 2.677 10 5 EFBEHN CC/C(C)=C\C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001565864090 1415438328 /nfs/dbraw/zinc/43/83/28/1415438328.db2.gz HEVJZRGBVQSQIJ-HRRGXOOESA-N 0 3 331.416 2.936 10 5 EFBEHN CCN(CCCNC(=O)c1coc(C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC001566548326 1415632121 /nfs/dbraw/zinc/63/21/21/1415632121.db2.gz FCVLDSQEVICTJT-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN CC(C)N1CCC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001567356446 1416087013 /nfs/dbraw/zinc/08/70/13/1416087013.db2.gz WFTFKKHRPCATRR-LLVKDONJSA-N 0 3 325.796 2.851 10 5 EFBEHN CC(C)c1cc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)no1 ZINC001567539017 1416181055 /nfs/dbraw/zinc/18/10/55/1416181055.db2.gz JVSVCTWEWRNRHB-UHFFFAOYSA-N 0 3 346.387 2.568 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC(C)(C)C1 ZINC001567548557 1416183096 /nfs/dbraw/zinc/18/30/96/1416183096.db2.gz NFJADUVYAPPRLJ-UHFFFAOYSA-N 0 3 333.432 2.969 10 5 EFBEHN CCN(CCCNC(=O)c1ccn(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001689926472 1417095771 /nfs/dbraw/zinc/09/57/71/1417095771.db2.gz JBCVAPDBGJRVCY-UHFFFAOYSA-N 0 3 344.415 2.575 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1ccco1 ZINC001699168059 1417409018 /nfs/dbraw/zinc/40/90/18/1417409018.db2.gz VULULQMFVXLWOJ-HJWRWDBZSA-N 0 3 343.383 2.839 10 5 EFBEHN CCC1(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001699296520 1417418155 /nfs/dbraw/zinc/41/81/55/1417418155.db2.gz ZXVXDCZOQHTAOS-ONEGZZNKSA-N 0 3 331.416 2.937 10 5 EFBEHN CC(F)(F)CCC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001713162849 1418347103 /nfs/dbraw/zinc/34/71/03/1418347103.db2.gz QUHSYVDRVFAJKE-JOCQHMNTSA-N 0 3 341.358 2.767 10 5 EFBEHN O=C(C=C1CCC1)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001717149702 1419238676 /nfs/dbraw/zinc/23/86/76/1419238676.db2.gz ZHJZPAIYKPCNMT-UHFFFAOYSA-N 0 3 329.400 2.834 10 5 EFBEHN CC(COC(=O)[C@@H](C)Cc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813103368 713520894 /nfs/dbraw/zinc/52/08/94/713520894.db2.gz PNQIVSGFWUHTEQ-UWVGGRQHSA-N 0 3 330.178 2.836 10 5 EFBEHN COc1cnccc1N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804683115 713412024 /nfs/dbraw/zinc/41/20/24/713412024.db2.gz VQXZCVWEMJQMKM-UHFFFAOYSA-N 0 3 348.790 2.978 10 5 EFBEHN Cc1ccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000813103276 713520697 /nfs/dbraw/zinc/52/06/97/713520697.db2.gz BKXWEHYZPXPBSR-ZJUUUORDSA-N 0 3 346.177 2.733 10 5 EFBEHN Cc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000813107915 713537126 /nfs/dbraw/zinc/53/71/26/713537126.db2.gz ROELXMSZPSQIIK-SNVBAGLBSA-N 0 3 330.178 2.899 10 5 EFBEHN CC(COC(=O)CCc1ccc(Br)cc1F)[N+](=O)[O-] ZINC000813111506 713554489 /nfs/dbraw/zinc/55/44/89/713554489.db2.gz IPIOUUICXDUDCK-MRVPVSSYSA-N 0 3 334.141 2.729 10 5 EFBEHN C[C@H](OC(=O)C1CCCN(C2CC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000924059876 715275080 /nfs/dbraw/zinc/27/50/80/715275080.db2.gz WOPNVTFDWQQBES-SMDDNHRTSA-N 0 3 332.356 2.600 10 5 EFBEHN C[C@@H]1COCC[C@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC000311533907 718753493 /nfs/dbraw/zinc/75/34/93/718753493.db2.gz YOZNASXUQJJONW-MWLCHTKSSA-N 0 3 329.194 2.872 10 5 EFBEHN CC[C@@H](CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000895139556 723436758 /nfs/dbraw/zinc/43/67/58/723436758.db2.gz NYDXEIGCUJQWNG-VIFPVBQESA-N 0 3 334.294 2.902 10 5 EFBEHN CC(C)(C)[C@H](O)CNCc1ccc(Br)cc1[N+](=O)[O-] ZINC000324281371 726398861 /nfs/dbraw/zinc/39/88/61/726398861.db2.gz OWJZSKIZYVPCJB-GFCCVEGCSA-N 0 3 331.210 2.854 10 5 EFBEHN CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C(C)(C)C ZINC001646537001 1087851226 /nfs/dbraw/zinc/85/12/26/1087851226.db2.gz PPMOEOQRRKVUMG-OAHLLOKOSA-N 0 3 331.420 2.633 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC001583736697 1092063089 /nfs/dbraw/zinc/06/30/89/1092063089.db2.gz ORQUUXOTMYKBBQ-CQSZACIVSA-N 0 3 349.431 2.844 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1c(F)cccc1F ZINC001267014250 1092350269 /nfs/dbraw/zinc/35/02/69/1092350269.db2.gz TUPJJONEHVYQEA-UHFFFAOYSA-N 0 3 349.337 2.735 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001268507587 1097067477 /nfs/dbraw/zinc/06/74/77/1097067477.db2.gz TXCKXXHFDAARKZ-PLNGDYQASA-N 0 3 331.416 2.937 10 5 EFBEHN Cc1ccc(CC(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001268529408 1097131939 /nfs/dbraw/zinc/13/19/39/1097131939.db2.gz RRMNAZFYRBDFAP-NSCUHMNNSA-N 0 3 343.383 2.501 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1occc1Cl ZINC001268588788 1097307745 /nfs/dbraw/zinc/30/77/45/1097307745.db2.gz VMAPGKBZSJVJOA-OWOJBTEDSA-N 0 3 349.774 2.917 10 5 EFBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)c1ccsc1 ZINC001268778039 1097626299 /nfs/dbraw/zinc/62/62/99/1097626299.db2.gz RPUIRXYGKFDIGT-UHFFFAOYSA-N 0 3 339.442 2.970 10 5 EFBEHN Cc1c(F)cccc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001481233030 1098623916 /nfs/dbraw/zinc/62/39/16/1098623916.db2.gz NRGJRNDWDVBSFX-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(C(C)C)CC1 ZINC001611336055 1099000457 /nfs/dbraw/zinc/00/04/57/1099000457.db2.gz VMEDHGJHAXLZOJ-UHFFFAOYSA-N 0 3 335.404 2.550 10 5 EFBEHN Cc1ccc(F)cc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001481263270 1099154402 /nfs/dbraw/zinc/15/44/02/1099154402.db2.gz FDWMZTONXDETQK-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H](C)N1C ZINC001618234757 1099286494 /nfs/dbraw/zinc/28/64/94/1099286494.db2.gz MSIYPYGNMJBBAP-PHIMTYICSA-N 0 3 342.237 2.882 10 5 EFBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(Cc2nncn2C)CC1 ZINC001620595699 1099361770 /nfs/dbraw/zinc/36/17/70/1099361770.db2.gz JSEVODLHTDBSJE-CYBMUJFWSA-N 0 3 329.404 2.739 10 5 EFBEHN Cc1[nH]cnc1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001626672544 1099905117 /nfs/dbraw/zinc/90/51/17/1099905117.db2.gz AZVWPERVHOERCT-UHFFFAOYSA-N 0 3 342.277 2.504 10 5 EFBEHN CCCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC001627324057 1099982530 /nfs/dbraw/zinc/98/25/30/1099982530.db2.gz GNPWJJANOQKKEH-CYBMUJFWSA-N 0 3 339.823 2.733 10 5 EFBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)CC2CCCCC2)n1 ZINC001631151680 1100374707 /nfs/dbraw/zinc/37/47/07/1100374707.db2.gz COSWRILARYWDJQ-UHFFFAOYSA-N 0 3 348.447 2.882 10 5 EFBEHN CCN1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001639265816 1100931934 /nfs/dbraw/zinc/93/19/34/1100931934.db2.gz AKDZWLXOQFXLMP-OAHLLOKOSA-N 0 3 333.432 2.719 10 5 EFBEHN CCc1nn(C)c(N2CCN[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001640548963 1101058074 /nfs/dbraw/zinc/05/80/74/1101058074.db2.gz KNEPFMUIONUEKN-AWEZNQCLSA-N 0 3 349.822 2.695 10 5 EFBEHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001642770967 1101240344 /nfs/dbraw/zinc/24/03/44/1101240344.db2.gz VRLVJHAZSAPXQE-UHFFFAOYSA-N 0 3 345.355 2.610 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001654081493 1101680653 /nfs/dbraw/zinc/68/06/53/1101680653.db2.gz YIJICDYWIBTGEC-RYUDHWBXSA-N 0 3 344.371 2.655 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(CO)CCCCCCC1 ZINC001654559710 1101732716 /nfs/dbraw/zinc/73/27/16/1101732716.db2.gz MTVLZHIOMCNZEK-UHFFFAOYSA-N 0 3 349.431 2.907 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1([C@H]2CCCO2)CCC1 ZINC001655100259 1101785117 /nfs/dbraw/zinc/78/51/17/1101785117.db2.gz COKMJNWHEFEQBE-OAHLLOKOSA-N 0 3 333.388 2.533 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1Cc1ccnn1C ZINC001655141821 1101788369 /nfs/dbraw/zinc/78/83/69/1101788369.db2.gz MQUAWUKWFJJYDN-HNNXBMFYSA-N 0 3 330.388 2.544 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)ccc1F ZINC001266726478 1102034948 /nfs/dbraw/zinc/03/49/48/1102034948.db2.gz XJIPUPGOQNGVDB-UHFFFAOYSA-N 0 3 349.337 2.735 10 5 EFBEHN O=[N+]([O-])c1cccc(CNC[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000072725904 1102348221 /nfs/dbraw/zinc/34/82/21/1102348221.db2.gz UJZHYNOOECQENE-IBGZPJMESA-N 0 3 341.411 2.585 10 5 EFBEHN CCN1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C ZINC001657825767 1102413334 /nfs/dbraw/zinc/41/33/34/1102413334.db2.gz NOQLDKXAUCYZEW-LLVKDONJSA-N 0 3 342.237 2.883 10 5 EFBEHN Cc1coc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001660272268 1102663787 /nfs/dbraw/zinc/66/37/87/1102663787.db2.gz HLVVQBAVLQCYAK-UHFFFAOYSA-N 0 3 331.372 2.748 10 5 EFBEHN CC(F)(F)C(=O)NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001660639414 1102904301 /nfs/dbraw/zinc/90/43/01/1102904301.db2.gz OLJOCJVQCSJVIO-UHFFFAOYSA-N 0 3 341.358 2.721 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(C)C1CC1 ZINC001493535809 1103423618 /nfs/dbraw/zinc/42/36/18/1103423618.db2.gz OYSRTLKNLHYSNY-UHFFFAOYSA-N 0 3 333.432 2.969 10 5 EFBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)C1(C(F)F)CC1 ZINC001483465611 1103762841 /nfs/dbraw/zinc/76/28/41/1103762841.db2.gz MZLMYGZAOFKPEF-UHFFFAOYSA-N 0 3 347.387 2.640 10 5 EFBEHN Cc1cc(C)c(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])[nH]1 ZINC001483475545 1103784863 /nfs/dbraw/zinc/78/48/63/1103784863.db2.gz VKNBOUAZBHUHNX-UHFFFAOYSA-N 0 3 344.415 2.792 10 5 EFBEHN Cc1occc1C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001482982307 1105312829 /nfs/dbraw/zinc/31/28/29/1105312829.db2.gz OXMXSNZQZVOFQD-NSCUHMNNSA-N 0 3 329.356 2.572 10 5 EFBEHN Cc1cocc1C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001673198448 1105983742 /nfs/dbraw/zinc/98/37/42/1105983742.db2.gz BIYUVIAXMDCRAV-UHFFFAOYSA-N 0 3 343.383 2.939 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cnc2n1CCOC2 ZINC000898268426 1106297809 /nfs/dbraw/zinc/29/78/09/1106297809.db2.gz ZODKVSLVOMSXKX-NTUHNPAUSA-N 0 3 328.372 2.515 10 5 EFBEHN CN(CCCN(C)C(=O)Cc1ccoc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001484739176 1113128821 /nfs/dbraw/zinc/12/88/21/1113128821.db2.gz XIGXJAUFXRCBBY-UHFFFAOYSA-N 0 3 345.399 2.711 10 5 EFBEHN CCC(CC)(CO)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000053066387 214162011 /nfs/dbraw/zinc/16/20/11/214162011.db2.gz XQVSWVVNIHWDOO-UHFFFAOYSA-N 0 3 331.210 2.998 10 5 EFBEHN Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000176737341 231721637 /nfs/dbraw/zinc/72/16/37/231721637.db2.gz OEQJPELUGQYTFJ-ZBFHGGJFSA-N 0 3 344.415 2.620 10 5 EFBEHN O=[N+]([O-])c1cccnc1Nc1cccc(CN2CCC(O)CC2)c1 ZINC000065565311 214963008 /nfs/dbraw/zinc/96/30/08/214963008.db2.gz SRWZSMDXJWOYOL-UHFFFAOYSA-N 0 3 328.372 2.690 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000183330989 235011913 /nfs/dbraw/zinc/01/19/13/235011913.db2.gz VJRVHAKFMAFYBT-OAHLLOKOSA-N 0 3 341.415 2.821 10 5 EFBEHN O=[N+]([O-])c1cc(CNCCN2CCCC2)ccc1Br ZINC000035013039 213003851 /nfs/dbraw/zinc/00/38/51/213003851.db2.gz OFAZUHLHUCGYEB-UHFFFAOYSA-N 0 3 328.210 2.543 10 5 EFBEHN CO[C@@H](C)[C@H](C)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000191717675 239262452 /nfs/dbraw/zinc/26/24/52/239262452.db2.gz PJIVFLOVHCGARQ-AEJSXWLSSA-N 0 3 329.784 2.588 10 5 EFBEHN Cc1cc(CNCCn2cc([N+](=O)[O-])cn2)ccc1C(F)(F)F ZINC000414379560 244123022 /nfs/dbraw/zinc/12/30/22/244123022.db2.gz MWLPVZMRDZBNDI-UHFFFAOYSA-N 0 3 328.294 2.908 10 5 EFBEHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H](c3nc[nH]n3)C2)c1 ZINC000425527495 247122696 /nfs/dbraw/zinc/12/26/96/247122696.db2.gz AOVNETQESDRTJJ-SECBINFHSA-N 0 3 341.293 2.721 10 5 EFBEHN CC(C)N(C)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445183624 250393780 /nfs/dbraw/zinc/39/37/80/250393780.db2.gz XXAIKFNPPIVIAM-UHFFFAOYSA-N 0 3 337.423 2.751 10 5 EFBEHN CCc1ccc(NC(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000095403812 218338256 /nfs/dbraw/zinc/33/82/56/218338256.db2.gz SDSTWVOFIPWWSY-ZDUSSCGKSA-N 0 3 334.420 2.963 10 5 EFBEHN C[C@H]1OCC[C@H]1N(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449676089 251113712 /nfs/dbraw/zinc/11/37/12/251113712.db2.gz FBUAAJAQOURHEB-CXAGYDPISA-N 0 3 346.383 2.827 10 5 EFBEHN Cc1nc(NC[C@H]2CCCN(C)[C@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC000450347092 251354531 /nfs/dbraw/zinc/35/45/31/251354531.db2.gz GVMNLPBMUGPTGP-IUODEOHRSA-N 0 3 347.444 2.672 10 5 EFBEHN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268631375 252084673 /nfs/dbraw/zinc/08/46/73/252084673.db2.gz ZYWZXTHXEADBCS-SFHVURJKSA-N 0 3 339.395 2.941 10 5 EFBEHN COc1ccc([C@@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000180868504 533109724 /nfs/dbraw/zinc/10/97/24/533109724.db2.gz RHVFNQADZSSCDX-WBMJQRKESA-N 0 3 346.383 2.996 10 5 EFBEHN Cn1ccnc1CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105876564 141356537 /nfs/dbraw/zinc/35/65/37/141356537.db2.gz MPCCCJJSTLHBKU-UHFFFAOYSA-N 0 3 328.416 2.826 10 5 EFBEHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000346145113 142154638 /nfs/dbraw/zinc/15/46/38/142154638.db2.gz KIAVUBZIFYHFIW-OAHLLOKOSA-N 0 3 342.399 2.707 10 5 EFBEHN C[C@H](C(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000347843172 142280726 /nfs/dbraw/zinc/28/07/26/142280726.db2.gz JGOYOVXUMBHEGG-SMDDNHRTSA-N 0 3 335.379 2.533 10 5 EFBEHN Cc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(C)c1O ZINC000347865865 142284461 /nfs/dbraw/zinc/28/44/61/142284461.db2.gz ZWWFMCNAFASZNS-OAHLLOKOSA-N 0 3 342.399 2.999 10 5 EFBEHN CC(C)c1ccc(CN[C@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000341278171 145025038 /nfs/dbraw/zinc/02/50/38/145025038.db2.gz UTRZGINPKBDZBD-YOEHRIQHSA-N 0 3 338.448 2.966 10 5 EFBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000341402515 145046358 /nfs/dbraw/zinc/04/63/58/145046358.db2.gz MOICIGZVPALQFI-HUUCEWRRSA-N 0 3 348.447 2.999 10 5 EFBEHN CC(C)(C)[C@@H]1CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348423517 145945275 /nfs/dbraw/zinc/94/52/75/145945275.db2.gz VGKMVTWUZFECCE-HUUCEWRRSA-N 0 3 340.445 2.783 10 5 EFBEHN COc1ccc2c(c1)CCC[C@@H]2N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000350686591 146080923 /nfs/dbraw/zinc/08/09/23/146080923.db2.gz XOVARLSFFSZLQK-KRWDZBQOSA-N 0 3 330.388 2.809 10 5 EFBEHN COCC[C@@H](COC)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353060381 146387797 /nfs/dbraw/zinc/38/77/97/146387797.db2.gz JTZIZIBEUQBNLX-ZDUSSCGKSA-N 0 3 334.372 2.996 10 5 EFBEHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](Cc2ccncc2)C1 ZINC000360341983 148335868 /nfs/dbraw/zinc/33/58/68/148335868.db2.gz HNUCXUIARDBWEN-MRXNPFEDSA-N 0 3 327.384 2.933 10 5 EFBEHN Cc1ccnc(C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000363788297 149013011 /nfs/dbraw/zinc/01/30/11/149013011.db2.gz BQGUCYUEVKNASF-UHFFFAOYSA-N 0 3 342.399 2.952 10 5 EFBEHN CCOc1cc(CNC2(CO)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000365039565 149302519 /nfs/dbraw/zinc/30/25/19/149302519.db2.gz FROQWBSLMDBNRL-UHFFFAOYSA-N 0 3 342.395 2.613 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(CCN2CCOCC2)CC1 ZINC000368211504 150066879 /nfs/dbraw/zinc/06/68/79/150066879.db2.gz GSGRZWPYSXXHAO-UHFFFAOYSA-N 0 3 347.459 2.838 10 5 EFBEHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000374633322 151385537 /nfs/dbraw/zinc/38/55/37/151385537.db2.gz VIUHONRATIRLKQ-WFASDCNBSA-N 0 3 326.780 2.676 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000378424531 152081540 /nfs/dbraw/zinc/08/15/40/152081540.db2.gz NALWRTOJNAZOGK-SWLSCSKDSA-N 0 3 326.780 2.676 10 5 EFBEHN CN1CCC2(CCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000408073962 152148909 /nfs/dbraw/zinc/14/89/09/152148909.db2.gz VLFZNRUVVPGMEM-UHFFFAOYSA-N 0 3 342.399 2.777 10 5 EFBEHN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](OCCN3CCCCC3)C2)c1 ZINC000338680804 286383063 /nfs/dbraw/zinc/38/30/63/286383063.db2.gz GSIMNLZJMWSOKH-MRXNPFEDSA-N 0 3 349.431 2.685 10 5 EFBEHN CSc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123115198 222218875 /nfs/dbraw/zinc/21/88/75/222218875.db2.gz GHLJXRPZVJUPOA-WCQYABFASA-N 0 3 337.445 2.871 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000123853327 222341582 /nfs/dbraw/zinc/34/15/82/222341582.db2.gz LKIUJNGLRQGUNA-NEPJUHHUSA-N 0 3 337.445 2.871 10 5 EFBEHN CC[C@@H](NC(=O)NCC1=CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271944512 266103489 /nfs/dbraw/zinc/10/34/89/266103489.db2.gz XDSROJGMVMSKST-MRXNPFEDSA-N 0 3 332.404 2.607 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000272158175 266171285 /nfs/dbraw/zinc/17/12/85/266171285.db2.gz DQWIPVKBHMVYGZ-SMDDNHRTSA-N 0 3 341.358 2.628 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC23CCCC3)cc1 ZINC000276583710 267017921 /nfs/dbraw/zinc/01/79/21/267017921.db2.gz IMBPPZYXADWAAI-OAHLLOKOSA-N 0 3 338.429 2.681 10 5 EFBEHN O=C(NC[C@H]1CCCCN1C1CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000277556840 267197039 /nfs/dbraw/zinc/19/70/39/267197039.db2.gz OWJVCGKKGQOBKK-CQSZACIVSA-N 0 3 342.399 2.823 10 5 EFBEHN C[C@H](N[C@H]1CCOC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000277578269 267202494 /nfs/dbraw/zinc/20/24/94/267202494.db2.gz VPJCBOYRIRCROI-KWBADKCTSA-N 0 3 341.795 2.590 10 5 EFBEHN C[C@H]1CN(CCCNc2ncc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000277579104 267203084 /nfs/dbraw/zinc/20/30/84/267203084.db2.gz BRWRZERBQVYHKS-NSHDSACASA-N 0 3 328.800 2.556 10 5 EFBEHN Cc1cc(N2CCC[C@H](NCc3ccc(C)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000277781566 267262243 /nfs/dbraw/zinc/26/22/43/267262243.db2.gz VGYVUELOROMOBV-INIZCTEOSA-N 0 3 343.431 2.704 10 5 EFBEHN CCN1CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000279080207 273174392 /nfs/dbraw/zinc/17/43/92/273174392.db2.gz POONNMCWTSESCI-UHFFFAOYSA-N 0 3 325.796 2.771 10 5 EFBEHN CC(=O)N1CCC[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000279925220 273270207 /nfs/dbraw/zinc/27/02/07/273270207.db2.gz XRRRQUKOGCCNNB-GFCCVEGCSA-N 0 3 325.796 2.596 10 5 EFBEHN C[C@H](N[C@H]1CCCN(c2cccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178222502 274526103 /nfs/dbraw/zinc/52/61/03/274526103.db2.gz TZGWFMHOYKTARK-ZFWWWQNUSA-N 0 3 327.388 2.704 10 5 EFBEHN C[C@@H]1C[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289651803 274798348 /nfs/dbraw/zinc/79/83/48/274798348.db2.gz YJIYKRYMMTUYCH-RDDDGLTNSA-N 0 3 332.141 2.697 10 5 EFBEHN CC(C)c1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000180230805 278036710 /nfs/dbraw/zinc/03/67/10/278036710.db2.gz SUIDUBCXRVWDFZ-BEFAXECRSA-N 0 3 347.459 2.871 10 5 EFBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000341083690 278351541 /nfs/dbraw/zinc/35/15/41/278351541.db2.gz BSZUZNSVYJXNKV-GJZGRUSLSA-N 0 3 348.447 2.699 10 5 EFBEHN CCN1CCC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000134069841 293276533 /nfs/dbraw/zinc/27/65/33/293276533.db2.gz CKTBOBXHRFYGKY-HNNXBMFYSA-N 0 3 346.431 2.753 10 5 EFBEHN CO[C@@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290636660 294142137 /nfs/dbraw/zinc/14/21/37/294142137.db2.gz VNMJDJRPURCZPC-UTLUCORTSA-N 0 3 329.784 2.588 10 5 EFBEHN COc1cc(CN[C@@H]2CCOC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000295177736 295278453 /nfs/dbraw/zinc/27/84/53/295278453.db2.gz HSAIJMXECGKNKM-CYBMUJFWSA-N 0 3 346.330 2.862 10 5 EFBEHN C[C@@H](N[C@H]1CCOC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295202515 295281818 /nfs/dbraw/zinc/28/18/18/295281818.db2.gz KYRAWFUZGHSREB-RNCFNFMXSA-N 0 3 341.795 2.732 10 5 EFBEHN C[C@@H](N[C@H]1CCOC1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000295207171 295282483 /nfs/dbraw/zinc/28/24/83/295282483.db2.gz LQVBGUKRQUEKIT-RNCFNFMXSA-N 0 3 341.795 2.732 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CCC3(CCC(O)CC3)CC2)c1 ZINC000295761562 295372315 /nfs/dbraw/zinc/37/23/15/295372315.db2.gz RSAJTSVKUUZNTI-UHFFFAOYSA-N 0 3 334.416 2.991 10 5 EFBEHN NC(=O)CC1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000421873783 303241330 /nfs/dbraw/zinc/24/13/30/303241330.db2.gz HRRSQCKXEJFONS-GOSISDBHSA-N 0 3 339.395 2.929 10 5 EFBEHN O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000301756448 311156650 /nfs/dbraw/zinc/15/66/50/311156650.db2.gz YHVMXVVHTKIGDX-HNNXBMFYSA-N 0 3 337.395 2.815 10 5 EFBEHN C[C@H](CN(C)Cc1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301981401 311170101 /nfs/dbraw/zinc/17/01/01/311170101.db2.gz BASGEPGJCRYZFU-CYBMUJFWSA-N 0 3 340.387 2.570 10 5 EFBEHN C[C@@H](CN(C)Cc1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301981403 311170140 /nfs/dbraw/zinc/17/01/40/311170140.db2.gz BASGEPGJCRYZFU-ZDUSSCGKSA-N 0 3 340.387 2.570 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C3CCCCC3)CC2)c1 ZINC000302138078 311179766 /nfs/dbraw/zinc/17/97/66/311179766.db2.gz DQNMZWSWDLMMSZ-UHFFFAOYSA-N 0 3 347.415 2.836 10 5 EFBEHN Cc1cccc(N2CC[C@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000302523149 311192436 /nfs/dbraw/zinc/19/24/36/311192436.db2.gz YOYLVGCAKMZXAD-INIZCTEOSA-N 0 3 333.432 2.984 10 5 EFBEHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1N[C@H]1CNCCC1(F)F ZINC000414997129 312073983 /nfs/dbraw/zinc/07/39/83/312073983.db2.gz HFDHAIOEUBIACW-BJJXKVORSA-N 0 3 339.386 2.893 10 5 EFBEHN Cc1sc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424009968 312495402 /nfs/dbraw/zinc/49/54/02/312495402.db2.gz KDYVLGVTSDGZDS-QWHCGFSZSA-N 0 3 349.387 2.671 10 5 EFBEHN O=[N+]([O-])c1cccc(N2CCN(C[C@H](O)C3CCCCC3)CC2)c1 ZINC000473742091 313200260 /nfs/dbraw/zinc/20/02/60/313200260.db2.gz HXWOCGYNXSDBHI-SFHVURJKSA-N 0 3 333.432 2.658 10 5 EFBEHN COC(=O)COc1ccc(CN2CC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000475714853 313224972 /nfs/dbraw/zinc/22/49/72/313224972.db2.gz JUZNCAAYHRFYMF-CQSZACIVSA-N 0 3 336.388 2.625 10 5 EFBEHN Cc1ccc([C@@H](C)NC(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000493253042 314292528 /nfs/dbraw/zinc/29/25/28/314292528.db2.gz JGDWRGKDYAHDEK-CJNGLKHVSA-N 0 3 346.431 2.842 10 5 EFBEHN CC1(C)NC(=O)CC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494985529 314654696 /nfs/dbraw/zinc/65/46/96/314654696.db2.gz KVSBZIWYCLFNND-GFCCVEGCSA-N 0 3 345.321 2.760 10 5 EFBEHN CCN1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C[C@@H]1C ZINC000497515961 315393119 /nfs/dbraw/zinc/39/31/19/315393119.db2.gz PZAKNGRVWNYNDK-STQMWFEESA-N 0 3 335.404 2.609 10 5 EFBEHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887780 317328156 /nfs/dbraw/zinc/32/81/56/317328156.db2.gz ZSLJJRGSLWGEHX-UHFFFAOYSA-N 0 3 342.399 2.714 10 5 EFBEHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccsc1 ZINC000531898157 317329767 /nfs/dbraw/zinc/32/97/67/317329767.db2.gz XMIZSJSOYDGPDD-OAHLLOKOSA-N 0 3 348.428 2.864 10 5 EFBEHN CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000532142181 317362027 /nfs/dbraw/zinc/36/20/27/317362027.db2.gz LXASAZDUWZGIOP-KRWDZBQOSA-N 0 3 342.399 2.585 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](OC(F)F)C1 ZINC000555073842 318344648 /nfs/dbraw/zinc/34/46/48/318344648.db2.gz TYEGUOCCJSTXAU-LBPRGKRZSA-N 0 3 343.330 2.545 10 5 EFBEHN Cc1ccccc1C[C@@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000556056524 318377094 /nfs/dbraw/zinc/37/70/94/318377094.db2.gz RASWRNVXXMENDG-OAHLLOKOSA-N 0 3 329.400 2.628 10 5 EFBEHN O=[N+]([O-])c1cc2c(nc1N1CC[C@H](N3CCCCC3)C1)CCCC2 ZINC000565947673 319017394 /nfs/dbraw/zinc/01/73/94/319017394.db2.gz ZQIVVLLYNWURJB-HNNXBMFYSA-N 0 3 330.432 2.933 10 5 EFBEHN C[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000570956516 319529151 /nfs/dbraw/zinc/52/91/51/319529151.db2.gz SFZQWQDOEMUGJY-KGLIPLIRSA-N 0 3 340.445 2.927 10 5 EFBEHN COC[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000181664528 323243676 /nfs/dbraw/zinc/24/36/76/323243676.db2.gz YTQNLCCFZYCBQJ-MRXNPFEDSA-N 0 3 346.383 2.960 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000183301073 323328438 /nfs/dbraw/zinc/32/84/38/323328438.db2.gz INBGFUDPARHABL-JTDSTZFVSA-N 0 3 347.459 2.977 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)CC(C)(C)CN1CCOCC1 ZINC000183381361 323332700 /nfs/dbraw/zinc/33/27/00/323332700.db2.gz NONJEPXDARRAKP-UHFFFAOYSA-N 0 3 335.448 2.693 10 5 EFBEHN C[C@H](C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184199735 323358756 /nfs/dbraw/zinc/35/87/56/323358756.db2.gz IUUYYJKWGQFDOS-FRRDWIJNSA-N 0 3 337.395 2.779 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185013467 323379691 /nfs/dbraw/zinc/37/96/91/323379691.db2.gz BJWMLCLTFDAHFR-STQMWFEESA-N 0 3 339.411 2.930 10 5 EFBEHN C[C@H](C(=O)NCCN1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000185003427 323379927 /nfs/dbraw/zinc/37/99/27/323379927.db2.gz USIROKGOBDTJSC-STQMWFEESA-N 0 3 337.395 2.828 10 5 EFBEHN Cc1c(CC(=O)N2CCc3ccccc3[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000580448590 324167234 /nfs/dbraw/zinc/16/72/34/324167234.db2.gz OUSIMLXNOGDRMT-SFHVURJKSA-N 0 3 339.395 2.530 10 5 EFBEHN COc1ccc(CN(C)[C@H]2Cc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000095987342 473245252 /nfs/dbraw/zinc/24/52/52/473245252.db2.gz TVOMOHXIRDWKOQ-WMZOPIPTSA-N 0 3 328.368 2.694 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000176968239 473277277 /nfs/dbraw/zinc/27/72/77/473277277.db2.gz LDAWKEVCATZGNC-HNNXBMFYSA-N 0 3 346.431 2.725 10 5 EFBEHN CN(Cc1cccnc1)C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000190449612 473278501 /nfs/dbraw/zinc/27/85/01/473278501.db2.gz FTXOMRJTAUVCNU-MRXNPFEDSA-N 0 3 326.400 2.948 10 5 EFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000190449592 473278921 /nfs/dbraw/zinc/27/89/21/473278921.db2.gz FTXOMRJTAUVCNU-INIZCTEOSA-N 0 3 326.400 2.948 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124798971 473304366 /nfs/dbraw/zinc/30/43/66/473304366.db2.gz WEGMLUOAXJLKSF-GXTWGEPZSA-N 0 3 337.445 2.628 10 5 EFBEHN CSc1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000113232377 473372023 /nfs/dbraw/zinc/37/20/23/473372023.db2.gz NHQPFXCYQGTKGZ-DGCLKSJQSA-N 0 3 335.429 2.625 10 5 EFBEHN C[C@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595479645 478811653 /nfs/dbraw/zinc/81/16/53/478811653.db2.gz GGQZZLHYCJVADB-SWLSCSKDSA-N 0 3 334.420 2.828 10 5 EFBEHN CCN(CC)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000038542104 472019562 /nfs/dbraw/zinc/01/95/62/472019562.db2.gz DZXCZVQNDAJUFK-UHFFFAOYSA-N 0 3 337.423 2.753 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CN2CCOCC2)CC1 ZINC000067457274 472036451 /nfs/dbraw/zinc/03/64/51/472036451.db2.gz KNWIFSPYPOSFGU-OAHLLOKOSA-N 0 3 333.432 2.700 10 5 EFBEHN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000054132084 472061444 /nfs/dbraw/zinc/06/14/44/472061444.db2.gz VJYVVDNORWZVSR-INIZCTEOSA-N 0 3 331.347 2.767 10 5 EFBEHN Cc1sc(C(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000054265553 472072107 /nfs/dbraw/zinc/07/21/07/472072107.db2.gz CLXLVGQNLURHHT-UHFFFAOYSA-N 0 3 333.413 2.827 10 5 EFBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000068223221 472152103 /nfs/dbraw/zinc/15/21/03/472152103.db2.gz FKKDOOKOXFXCMH-LLVKDONJSA-N 0 3 327.812 2.954 10 5 EFBEHN Cc1sc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000045124268 472374579 /nfs/dbraw/zinc/37/45/79/472374579.db2.gz UQTXHBFVBXKONM-AWEZNQCLSA-N 0 3 347.440 2.867 10 5 EFBEHN CCCN1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000069847994 472451430 /nfs/dbraw/zinc/45/14/30/472451430.db2.gz WILWZWLOAPJUTQ-UHFFFAOYSA-N 0 3 325.796 2.806 10 5 EFBEHN C[C@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2)CC(=O)N1Cc1ccccc1 ZINC000089513421 472452410 /nfs/dbraw/zinc/45/24/10/472452410.db2.gz JFNCTUZXSPBRRR-KBXCAEBGSA-N 0 3 339.395 2.874 10 5 EFBEHN CCc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000101354040 472532074 /nfs/dbraw/zinc/53/20/74/472532074.db2.gz VIPBVWOVKUYUIK-HNNXBMFYSA-N 0 3 330.388 2.635 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000155755693 472610092 /nfs/dbraw/zinc/61/00/92/472610092.db2.gz XERWRORAQNDLTK-YGRLFVJLSA-N 0 3 325.796 2.707 10 5 EFBEHN Cc1cc(C)c2c(c1)[C@H](NCCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090538891 472631480 /nfs/dbraw/zinc/63/14/80/472631480.db2.gz SYQKKIRYYXSYOV-MRXNPFEDSA-N 0 3 330.388 2.912 10 5 EFBEHN Cc1cc(C)c2c(c1)[C@@H](NCCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090538892 472632466 /nfs/dbraw/zinc/63/24/66/472632466.db2.gz SYQKKIRYYXSYOV-INIZCTEOSA-N 0 3 330.388 2.912 10 5 EFBEHN Cn1ccnc1CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105876760 472794318 /nfs/dbraw/zinc/79/43/18/472794318.db2.gz DKHPWTQPLJVLFU-UHFFFAOYSA-N 0 3 344.415 2.662 10 5 EFBEHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000157181267 472794325 /nfs/dbraw/zinc/79/43/25/472794325.db2.gz QDHQRRMJUOURDZ-SJKOYZFVSA-N 0 3 342.399 2.632 10 5 EFBEHN C[C@@H]1CN(CCC2CCN(c3ccncc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000079021911 472807963 /nfs/dbraw/zinc/80/79/63/472807963.db2.gz SCGMNKQRTCNGCP-GASCZTMLSA-N 0 3 348.447 2.706 10 5 EFBEHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000065201917 472907447 /nfs/dbraw/zinc/90/74/47/472907447.db2.gz ODMMEPULXGRAAC-HNNXBMFYSA-N 0 3 329.404 2.795 10 5 EFBEHN Cc1c(NC(=O)CCN(C)C[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000121842107 472927164 /nfs/dbraw/zinc/92/71/64/472927164.db2.gz HJHDVPSZBTXOPJ-CQSZACIVSA-N 0 3 335.404 2.733 10 5 EFBEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159566625 473039658 /nfs/dbraw/zinc/03/96/58/473039658.db2.gz DNJJNYNDOGQESE-TZMCWYRMSA-N 0 3 343.383 2.941 10 5 EFBEHN Cc1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000052554458 473124067 /nfs/dbraw/zinc/12/40/67/473124067.db2.gz MIKXBAIQUUWSFJ-INIZCTEOSA-N 0 3 327.384 2.936 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052930659 473165243 /nfs/dbraw/zinc/16/52/43/473165243.db2.gz JQHRIVYOBKQYSJ-CJNGLKHVSA-N 0 3 331.416 2.894 10 5 EFBEHN CCOc1ccc([C@H](C)NCCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000152629052 473583911 /nfs/dbraw/zinc/58/39/11/473583911.db2.gz WPOWARNVOKUWTQ-ZDUSSCGKSA-N 0 3 335.404 2.657 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])CCN1C ZINC000127663472 473637962 /nfs/dbraw/zinc/63/79/62/473637962.db2.gz HEQRWHOJUWUJIL-CHWSQXEVSA-N 0 3 337.445 2.628 10 5 EFBEHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000127982851 473669448 /nfs/dbraw/zinc/66/94/48/473669448.db2.gz SGTPINWMNKJXDM-MRXNPFEDSA-N 0 3 330.388 2.606 10 5 EFBEHN CSc1cccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000186795218 473757859 /nfs/dbraw/zinc/75/78/59/473757859.db2.gz BULLGCQQHRQPKM-YPMHNXCESA-N 0 3 337.445 2.775 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000281568309 473768680 /nfs/dbraw/zinc/76/86/80/473768680.db2.gz MBQKCUUVZXNHLE-LSDHHAIUSA-N 0 3 349.431 2.613 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000281568306 473768945 /nfs/dbraw/zinc/76/89/45/473768945.db2.gz MBQKCUUVZXNHLE-HUUCEWRRSA-N 0 3 349.431 2.613 10 5 EFBEHN CC(C)c1nnc2n1C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173369303 473817828 /nfs/dbraw/zinc/81/78/28/473817828.db2.gz GNJFJOQTHWPMBO-JSGCOSHPSA-N 0 3 329.404 2.975 10 5 EFBEHN CCc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000173493116 473853897 /nfs/dbraw/zinc/85/38/97/473853897.db2.gz CZNLMPIOFVVRMS-HOTGVXAUSA-N 0 3 331.416 2.856 10 5 EFBEHN CN(C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269687590 473861634 /nfs/dbraw/zinc/86/16/34/473861634.db2.gz PDJZVUDIFUKLGD-LBPRGKRZSA-N 0 3 345.321 2.780 10 5 EFBEHN CCc1ccc([C@@H]2CCCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000246990375 474027942 /nfs/dbraw/zinc/02/79/42/474027942.db2.gz NECUXBOMNGCQRC-ZBFHGGJFSA-N 0 3 348.403 2.535 10 5 EFBEHN CC[C@H](NC[C@H](O)COCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000181561090 474049205 /nfs/dbraw/zinc/04/92/05/474049205.db2.gz ICLIGAXIKDRREG-RDJZCZTQSA-N 0 3 334.372 2.806 10 5 EFBEHN COCCN1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000270290998 474060759 /nfs/dbraw/zinc/06/07/59/474060759.db2.gz ZROWBADAMNTTLV-UHFFFAOYSA-N 0 3 347.337 2.772 10 5 EFBEHN COc1ccc([C@@H]2C[C@H](C)N(CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000174869588 474109694 /nfs/dbraw/zinc/10/96/94/474109694.db2.gz LNACADRCSKEFNX-DZGCQCFKSA-N 0 3 330.388 2.678 10 5 EFBEHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000247307140 474114418 /nfs/dbraw/zinc/11/44/18/474114418.db2.gz QDHQRRMJUOURDZ-SJCJKPOMSA-N 0 3 342.399 2.632 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000175010829 474131340 /nfs/dbraw/zinc/13/13/40/474131340.db2.gz QOZBWMXXTSWWAN-OAHLLOKOSA-N 0 3 349.431 2.615 10 5 EFBEHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(Br)c1 ZINC000182569270 474208743 /nfs/dbraw/zinc/20/87/43/474208743.db2.gz MYNFLWNNPHPMNA-JTQLQIEISA-N 0 3 339.193 2.905 10 5 EFBEHN CN(C)[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182625374 474220594 /nfs/dbraw/zinc/22/05/94/474220594.db2.gz RQOFZQWQBGUCQA-LLVKDONJSA-N 0 3 343.836 2.503 10 5 EFBEHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)s1 ZINC000183022437 474308418 /nfs/dbraw/zinc/30/84/18/474308418.db2.gz QXMIKNQWHDNEQZ-VIFPVBQESA-N 0 3 327.793 2.822 10 5 EFBEHN CC[C@@H](NC(=O)N[C@H]1CCCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000175953919 474347415 /nfs/dbraw/zinc/34/74/15/474347415.db2.gz YNPYAAKUFJMRNH-GOEBONIOSA-N 0 3 334.420 2.829 10 5 EFBEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000183202007 474349577 /nfs/dbraw/zinc/34/95/77/474349577.db2.gz FFXFLMDPCOYMRO-BHDSKKPTSA-N 0 3 341.795 2.732 10 5 EFBEHN COc1cc(CN[C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000183216891 474352353 /nfs/dbraw/zinc/35/23/53/474352353.db2.gz GHTAURKRZXZRRI-JOYOIKCWSA-N 0 3 346.330 2.862 10 5 EFBEHN COc1cc(CN[C@H](C)[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000183216908 474352659 /nfs/dbraw/zinc/35/26/59/474352659.db2.gz GHTAURKRZXZRRI-BXKDBHETSA-N 0 3 346.330 2.862 10 5 EFBEHN CO[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1C ZINC000189331725 474362920 /nfs/dbraw/zinc/36/29/20/474362920.db2.gz UPZSDNMONMSYFL-BLLLJJGKSA-N 0 3 335.404 2.589 10 5 EFBEHN Cc1cc(C)cc([C@@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000183465125 474383081 /nfs/dbraw/zinc/38/30/81/474383081.db2.gz ZLOMXLIETQFFPG-MRXNPFEDSA-N 0 3 341.411 2.863 10 5 EFBEHN Cc1sc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271068672 474393674 /nfs/dbraw/zinc/39/36/74/474393674.db2.gz XRJUUGCLDSERRG-JTQLQIEISA-N 0 3 325.434 2.767 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000176244970 474420673 /nfs/dbraw/zinc/42/06/73/474420673.db2.gz GJJFHBLQEIKTKQ-ZDUSSCGKSA-N 0 3 336.392 2.551 10 5 EFBEHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000176299434 474434302 /nfs/dbraw/zinc/43/43/02/474434302.db2.gz PCNWPAIKZZCWRU-OCCSQVGLSA-N 0 3 342.399 2.775 10 5 EFBEHN CC[C@@H](NC(=O)NC[C@@H]1CCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000176317173 474438792 /nfs/dbraw/zinc/43/87/92/474438792.db2.gz KERKIAVSPRILCG-JKSUJKDBSA-N 0 3 334.420 2.829 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000248842230 474452741 /nfs/dbraw/zinc/45/27/41/474452741.db2.gz NWHZSQCRJQTYFP-QGPMSJSTSA-N 0 3 345.443 2.859 10 5 EFBEHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189710876 474467800 /nfs/dbraw/zinc/46/78/00/474467800.db2.gz PLUTTWVITDCIRE-OAHLLOKOSA-N 0 3 349.431 2.559 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCCN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000266779874 474479557 /nfs/dbraw/zinc/47/95/57/474479557.db2.gz USSBRUGKOCUNCZ-UHFFFAOYSA-N 0 3 330.388 2.966 10 5 EFBEHN COc1cc(CN2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])cc1F ZINC000184193857 474484213 /nfs/dbraw/zinc/48/42/13/474484213.db2.gz OUDKTFVGWXVRMN-UHFFFAOYSA-N 0 3 334.351 2.845 10 5 EFBEHN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000176737396 474523751 /nfs/dbraw/zinc/52/37/51/474523751.db2.gz OEQJPELUGQYTFJ-GOEBONIOSA-N 0 3 344.415 2.620 10 5 EFBEHN CO[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000249200445 474544295 /nfs/dbraw/zinc/54/42/95/474544295.db2.gz QUOGAXHPABVMES-SUMWQHHRSA-N 0 3 344.415 2.852 10 5 EFBEHN COc1ccc(CN[C@@H](C)[C@@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000267154098 474603876 /nfs/dbraw/zinc/60/38/76/474603876.db2.gz DCASNMLVAQUDOQ-APPDUMDISA-N 0 3 334.347 2.954 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Br)CCN1C ZINC000267283501 474637754 /nfs/dbraw/zinc/63/77/54/474637754.db2.gz VUEJAQZXMBNULD-ZJUUUORDSA-N 0 3 343.225 2.671 10 5 EFBEHN COc1ccccc1[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272914858 474640701 /nfs/dbraw/zinc/64/07/01/474640701.db2.gz HIALLCURJAZCGY-KGLIPLIRSA-N 0 3 346.383 2.694 10 5 EFBEHN CN1CC[C@H]2OCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284447770 474641821 /nfs/dbraw/zinc/64/18/21/474641821.db2.gz CHFSTOPUNJVKLJ-UONOGXRCSA-N 0 3 345.321 2.523 10 5 EFBEHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(C2CC2)C1 ZINC000340818816 474688137 /nfs/dbraw/zinc/68/81/37/474688137.db2.gz NPYXMLYLCPLESJ-QGZVFWFLSA-N 0 3 342.399 2.918 10 5 EFBEHN CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000284618379 474691811 /nfs/dbraw/zinc/69/18/11/474691811.db2.gz SSASOYIYCSKJTO-KBPBESRZSA-N 0 3 345.321 2.523 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000278658506 474759107 /nfs/dbraw/zinc/75/91/07/474759107.db2.gz NYSUUZHSRFZUCZ-GXFFZTMASA-N 0 3 337.807 2.769 10 5 EFBEHN CC[C@@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000293229802 474878458 /nfs/dbraw/zinc/87/84/58/474878458.db2.gz FVSRFDNKSDOPDE-AEFFLSMTSA-N 0 3 346.431 2.783 10 5 EFBEHN CCOc1ccc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341071893 474942484 /nfs/dbraw/zinc/94/24/84/474942484.db2.gz SDNVSSGLGYBGQJ-KBPBESRZSA-N 0 3 349.431 2.986 10 5 EFBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000341124322 475001370 /nfs/dbraw/zinc/00/13/70/475001370.db2.gz VITLENZRJLTCAR-OKILXGFUSA-N 0 3 334.420 2.657 10 5 EFBEHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1[C@@H](C)CCC[C@@H]1C ZINC000341130198 475006718 /nfs/dbraw/zinc/00/67/18/475006718.db2.gz RHYQKRNWUAYHFZ-STQMWFEESA-N 0 3 334.420 2.629 10 5 EFBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000341402512 475047114 /nfs/dbraw/zinc/04/71/14/475047114.db2.gz MOICIGZVPALQFI-GASCZTMLSA-N 0 3 348.447 2.999 10 5 EFBEHN C[C@@H]1[C@H](NCc2cccc([N+](=O)[O-])c2)CC(=O)N1Cc1ccccc1 ZINC000341552575 475137692 /nfs/dbraw/zinc/13/76/92/475137692.db2.gz HCLPDAWTRRDNSW-RDTXWAMCSA-N 0 3 339.395 2.874 10 5 EFBEHN CCCN1CCC[C@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000352378866 475233295 /nfs/dbraw/zinc/23/32/95/475233295.db2.gz MUZZLORCOSJQHQ-INIZCTEOSA-N 0 3 348.447 2.696 10 5 EFBEHN COc1ccc(CNCCc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000339502148 475259642 /nfs/dbraw/zinc/25/96/42/475259642.db2.gz NIZJMFPDOJINTE-UHFFFAOYSA-N 0 3 328.372 2.603 10 5 EFBEHN CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000361230453 475288140 /nfs/dbraw/zinc/28/81/40/475288140.db2.gz UITZOPRHRVVEHI-MRXNPFEDSA-N 0 3 330.388 2.606 10 5 EFBEHN Cc1c(Br)c(N2CCC[C@H]2CN(C)C)ncc1[N+](=O)[O-] ZINC000347411225 475306134 /nfs/dbraw/zinc/30/61/34/475306134.db2.gz IJKWQYAUJCZVCS-JTQLQIEISA-N 0 3 343.225 2.591 10 5 EFBEHN CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2C)[C@H]1n1cccn1 ZINC000339598963 475335592 /nfs/dbraw/zinc/33/55/92/475335592.db2.gz RLYYKJLKIAEEHS-BRWVUGGUSA-N 0 3 330.388 2.608 10 5 EFBEHN CNC(=O)CCOC1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000352546547 475400357 /nfs/dbraw/zinc/40/03/57/475400357.db2.gz WSDKNPRRCRQHDA-CQSZACIVSA-N 0 3 349.431 2.581 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1(CN(C)C)CCC1 ZINC000341973672 475462720 /nfs/dbraw/zinc/46/27/20/475462720.db2.gz VKQOCPZCKLUMFK-UHFFFAOYSA-N 0 3 325.796 2.771 10 5 EFBEHN C[C@@H]1[C@@H](C(F)(F)F)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000348247510 475521360 /nfs/dbraw/zinc/52/13/60/475521360.db2.gz SSAAYWSYBCUTBW-UTUOFQBUSA-N 0 3 348.321 2.607 10 5 EFBEHN O=[N+]([O-])c1cnccc1NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000340153037 475806158 /nfs/dbraw/zinc/80/61/58/475806158.db2.gz VRGZBWGDUCSVMX-INIZCTEOSA-N 0 3 326.400 2.878 10 5 EFBEHN CCN1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000343265791 475904901 /nfs/dbraw/zinc/90/49/01/475904901.db2.gz CEAZCTHUWDVFIL-AWEZNQCLSA-N 0 3 341.415 2.891 10 5 EFBEHN CS[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000362016274 475939046 /nfs/dbraw/zinc/93/90/46/475939046.db2.gz PKXUPCJFGFNJIL-OLZOCXBDSA-N 0 3 327.475 2.668 10 5 EFBEHN Cc1sc(C(=O)N(C)C2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000298399451 476080394 /nfs/dbraw/zinc/08/03/94/476080394.db2.gz SSASDKHTXQNELF-UHFFFAOYSA-N 0 3 325.434 2.910 10 5 EFBEHN CCO[C@@H]1C[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000340530496 476088420 /nfs/dbraw/zinc/08/84/20/476088420.db2.gz DHFSZSIUPDQLFC-VJUNAUMWSA-N 0 3 330.388 2.861 10 5 EFBEHN Cn1cc(CCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000338710619 476125407 /nfs/dbraw/zinc/12/54/07/476125407.db2.gz XNGVGSRYNGSGOI-UHFFFAOYSA-N 0 3 326.356 2.921 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]2COCC[C@@H]21 ZINC000362455715 476264457 /nfs/dbraw/zinc/26/44/57/476264457.db2.gz SWRFIHNZZOXZSK-PBHICJAKSA-N 0 3 347.415 2.733 10 5 EFBEHN CSC1(CNc2ncc([N+](=O)[O-])cc2Cl)CCN(C)CC1 ZINC000357577720 476467400 /nfs/dbraw/zinc/46/74/00/476467400.db2.gz GWIRXJDIHDEFSK-UHFFFAOYSA-N 0 3 330.841 2.883 10 5 EFBEHN CCCN1CCC[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351633316 476486554 /nfs/dbraw/zinc/48/65/54/476486554.db2.gz XCJDZXNNWFUNLA-AWEZNQCLSA-N 0 3 339.823 2.781 10 5 EFBEHN Cc1ccc(CN(C)C2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000370043762 476645666 /nfs/dbraw/zinc/64/56/66/476645666.db2.gz VPYXKLNWGCBNLW-UHFFFAOYSA-N 0 3 341.415 2.794 10 5 EFBEHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000456683890 476688660 /nfs/dbraw/zinc/68/86/60/476688660.db2.gz BLEDLGGFWODMEI-UHFFFAOYSA-N 0 3 336.436 2.896 10 5 EFBEHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CCOCC2)[C@@H]1C ZINC000375240011 476733202 /nfs/dbraw/zinc/73/32/02/476733202.db2.gz HFSNIROPFXUPCR-KGLIPLIRSA-N 0 3 347.415 2.813 10 5 EFBEHN C[C@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)N(C)Cc1ccccc1 ZINC000390650214 476795047 /nfs/dbraw/zinc/79/50/47/476795047.db2.gz VVEGJXDIICCDNR-CYBMUJFWSA-N 0 3 339.399 2.825 10 5 EFBEHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCN(CC2CCCCC2)CC1 ZINC000366142438 476880548 /nfs/dbraw/zinc/88/05/48/476880548.db2.gz MGQCPNMIUNSMNQ-UHFFFAOYSA-N 0 3 346.431 2.718 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCc3nc[nH]c3C2)c1 ZINC000370730651 476956611 /nfs/dbraw/zinc/95/66/11/476956611.db2.gz PSHKWWCQQBGWBO-SNVBAGLBSA-N 0 3 338.314 2.566 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000370730651 476956613 /nfs/dbraw/zinc/95/66/13/476956613.db2.gz PSHKWWCQQBGWBO-SNVBAGLBSA-N 0 3 338.314 2.566 10 5 EFBEHN CC[C@@H](Nc1ccc(N2CCNCC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000423230533 476968473 /nfs/dbraw/zinc/96/84/73/476968473.db2.gz JHGLEGRGVLLJAK-QGZVFWFLSA-N 0 3 341.415 2.963 10 5 EFBEHN Cc1ccc([C@H](C)Nc2ccc(N3CCNCC3)cn2)cc1[N+](=O)[O-] ZINC000423233787 476970039 /nfs/dbraw/zinc/97/00/39/476970039.db2.gz OTPLLTJECXWPSF-AWEZNQCLSA-N 0 3 341.415 2.881 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000375781494 477002242 /nfs/dbraw/zinc/00/22/42/477002242.db2.gz XRRCFPPKQWVSTF-MZMPZRCHSA-N 0 3 344.415 2.977 10 5 EFBEHN CCOc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000452569355 477003233 /nfs/dbraw/zinc/00/32/33/477003233.db2.gz IZCHRJCRJFCEGT-ZDUSSCGKSA-N 0 3 347.415 2.550 10 5 EFBEHN CN1CC[C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000424190836 477323860 /nfs/dbraw/zinc/32/38/60/477323860.db2.gz PCHNTUQBLJUFQH-CYBMUJFWSA-N 0 3 343.383 2.813 10 5 EFBEHN CCOc1ccc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000376493137 477362899 /nfs/dbraw/zinc/36/28/99/477362899.db2.gz XWLOSVMTVDOERH-DZGCQCFKSA-N 0 3 347.415 2.692 10 5 EFBEHN CCN1CCC[C@H]1CN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436384786 477473384 /nfs/dbraw/zinc/47/33/84/477473384.db2.gz GRCQROUVZBZIDB-JTQLQIEISA-N 0 3 332.326 2.929 10 5 EFBEHN Cc1ccc([C@@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000371746600 477475236 /nfs/dbraw/zinc/47/52/36/477475236.db2.gz KPHIBBJLSPOYJZ-MRXNPFEDSA-N 0 3 327.384 2.554 10 5 EFBEHN Cc1ccc([C@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000371746599 477475891 /nfs/dbraw/zinc/47/58/91/477475891.db2.gz KPHIBBJLSPOYJZ-INIZCTEOSA-N 0 3 327.384 2.554 10 5 EFBEHN COCCN1CCC[C@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413116875 477528220 /nfs/dbraw/zinc/52/82/20/477528220.db2.gz ICPJNMGTJPUTDN-HNNXBMFYSA-N 0 3 330.388 2.666 10 5 EFBEHN Cc1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000449360423 477561882 /nfs/dbraw/zinc/56/18/82/477561882.db2.gz JCYPKNJFGPSGAE-CQSZACIVSA-N 0 3 346.408 2.564 10 5 EFBEHN CN(c1ncc([N+](=O)[O-])cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000413193267 477563641 /nfs/dbraw/zinc/56/36/41/477563641.db2.gz HDHOPOZHWHZGCN-AWEZNQCLSA-N 0 3 330.363 2.840 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000426914247 477759428 /nfs/dbraw/zinc/75/94/28/477759428.db2.gz OHBOCMSILYFTAE-BETUJISGSA-N 0 3 335.404 2.596 10 5 EFBEHN CN(C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000427985689 477799852 /nfs/dbraw/zinc/79/98/52/477799852.db2.gz SNACFLOWSUHUJK-MRXNPFEDSA-N 0 3 343.362 2.747 10 5 EFBEHN CCC[C@H](C)[C@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516186286 477903455 /nfs/dbraw/zinc/90/34/55/477903455.db2.gz ZMGMNNUZJBKUQR-HZMBPMFUSA-N 0 3 343.811 2.573 10 5 EFBEHN Cc1c(CC(=O)NCCN2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000438990209 477917911 /nfs/dbraw/zinc/91/79/11/477917911.db2.gz XIXPNQJZGSBCOD-OKILXGFUSA-N 0 3 333.432 2.825 10 5 EFBEHN CN(C(=O)CN1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451377872 477983169 /nfs/dbraw/zinc/98/31/69/477983169.db2.gz XMDYWORMNALWRQ-BDFQZXNOSA-N 0 3 341.411 2.702 10 5 EFBEHN CC(C)(C)OC(=O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495062347 478113970 /nfs/dbraw/zinc/11/39/70/478113970.db2.gz FFVWSJSZNNYCKS-CYBMUJFWSA-N 0 3 336.388 2.637 10 5 EFBEHN COc1cccc([N+](=O)[O-])c1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000520610319 478330890 /nfs/dbraw/zinc/33/08/90/478330890.db2.gz UEMURCZWDRCGKY-OAHLLOKOSA-N 0 3 349.431 2.685 10 5 EFBEHN O=[N+]([O-])c1cc2c(cc1CNCCC1CC(F)(F)C1)OCCO2 ZINC000590781209 478336576 /nfs/dbraw/zinc/33/65/76/478336576.db2.gz HJOCKBMKCDGMEO-UHFFFAOYSA-N 0 3 328.315 2.891 10 5 EFBEHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594417181 478374281 /nfs/dbraw/zinc/37/42/81/478374281.db2.gz AXOZHQNFEIVFGW-DLBZAZTESA-N 0 3 342.399 2.823 10 5 EFBEHN C[C@@H](C(=O)NC[C@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600472483 478382770 /nfs/dbraw/zinc/38/27/70/478382770.db2.gz ZNYSRDLASZDAAT-CXAGYDPISA-N 0 3 331.416 2.831 10 5 EFBEHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1C1CCCC1 ZINC000600470058 478382931 /nfs/dbraw/zinc/38/29/31/478382931.db2.gz DZPDNVJMNAZZJH-OAHLLOKOSA-N 0 3 349.456 2.820 10 5 EFBEHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCN1C1CCCC1 ZINC000600471480 478383064 /nfs/dbraw/zinc/38/30/64/478383064.db2.gz KYXRECPHBKYPNQ-QGZVFWFLSA-N 0 3 331.416 2.661 10 5 EFBEHN C[C@H](C(=O)NC[C@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600474529 478384417 /nfs/dbraw/zinc/38/44/17/478384417.db2.gz XWRQZZPLFLCOKX-SWLSCSKDSA-N 0 3 349.406 2.971 10 5 EFBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000562985072 478402339 /nfs/dbraw/zinc/40/23/39/478402339.db2.gz GTMNHNUOBRANEN-OAGGEKHMSA-N 0 3 346.358 2.619 10 5 EFBEHN COc1cccc([N+](=O)[O-])c1N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000594571834 478444400 /nfs/dbraw/zinc/44/44/00/478444400.db2.gz ACEMHYLGFNZFME-UKRRQHHQSA-N 0 3 337.445 2.619 10 5 EFBEHN NCc1cccc2c1N(CCOc1cccc([N+](=O)[O-])c1)CCC2 ZINC000600724241 478489014 /nfs/dbraw/zinc/48/90/14/478489014.db2.gz YFSFQGPOENXGTF-UHFFFAOYSA-N 0 3 327.384 2.885 10 5 EFBEHN O=[N+]([O-])c1ccc(OC[C@@H]2CNCCO2)c(Cc2ccccc2)c1 ZINC000594698567 478501160 /nfs/dbraw/zinc/50/11/60/478501160.db2.gz MKVKBMQLXHOSFA-KRWDZBQOSA-N 0 3 328.368 2.553 10 5 EFBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1ccsc1 ZINC000600756672 478506161 /nfs/dbraw/zinc/50/61/61/478506161.db2.gz NOAKWMVKNHHMMH-HZSPNIEDSA-N 0 3 334.397 2.542 10 5 EFBEHN COC(=O)CC1(NCc2ccc([N+](=O)[O-])c(OC)c2)CCCCC1 ZINC000540911738 478508206 /nfs/dbraw/zinc/50/82/06/478508206.db2.gz HILRSWRUJCCBJM-UHFFFAOYSA-N 0 3 336.388 2.959 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCCC23CC3)cc1 ZINC000600763102 478509945 /nfs/dbraw/zinc/50/99/45/478509945.db2.gz ZYNOOXLNSDCPFW-CYBMUJFWSA-N 0 3 338.429 2.538 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597858849 478544400 /nfs/dbraw/zinc/54/44/00/478544400.db2.gz POLUEHBKRZHTHW-LBPRGKRZSA-N 0 3 330.388 2.679 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000597859639 478546462 /nfs/dbraw/zinc/54/64/62/478546462.db2.gz WUKSCFSDOURBQQ-OAHLLOKOSA-N 0 3 333.432 2.861 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000597859647 478546757 /nfs/dbraw/zinc/54/67/57/478546757.db2.gz WXYWPOYVSAAOQJ-GFCCVEGCSA-N 0 3 342.399 2.746 10 5 EFBEHN CCN1CCC[C@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600965342 478588431 /nfs/dbraw/zinc/58/84/31/478588431.db2.gz NQTKWEWCJMBCMY-INIZCTEOSA-N 0 3 331.416 2.617 10 5 EFBEHN CS(=O)(=O)CC1(CCNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000594954366 478603051 /nfs/dbraw/zinc/60/30/51/478603051.db2.gz ZAMKZRMAHHOMTR-UHFFFAOYSA-N 0 3 346.836 2.553 10 5 EFBEHN CO[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC000594952712 478603425 /nfs/dbraw/zinc/60/34/25/478603425.db2.gz REIUBEHMNJRHMG-FZKQIMNGSA-N 0 3 346.383 2.996 10 5 EFBEHN Cc1cncc(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000594988253 478619063 /nfs/dbraw/zinc/61/90/63/478619063.db2.gz OHXLWRVLBLCKMX-UHFFFAOYSA-N 0 3 338.314 2.627 10 5 EFBEHN COc1cc(CNC[C@@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])cc1OC ZINC000594992140 478620476 /nfs/dbraw/zinc/62/04/76/478620476.db2.gz PLYXUYVRVMBTTD-CYBMUJFWSA-N 0 3 330.331 2.993 10 5 EFBEHN CCCN(CCN(C)C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601039717 478626398 /nfs/dbraw/zinc/62/63/98/478626398.db2.gz PQTCKRQIBWZROF-UHFFFAOYSA-N 0 3 333.432 2.817 10 5 EFBEHN COC[C@@H](CC1CCOCC1)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595017342 478629728 /nfs/dbraw/zinc/62/97/28/478629728.db2.gz UBXQKUYCMSSMQH-OAHLLOKOSA-N 0 3 338.404 2.525 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000571580887 478630815 /nfs/dbraw/zinc/63/08/15/478630815.db2.gz CLXDWOUBELFHKL-KRWDZBQOSA-N 0 3 333.432 2.590 10 5 EFBEHN CCOc1ccc([C@H](C)NC[C@@H](OC)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000595058955 478645359 /nfs/dbraw/zinc/64/53/59/478645359.db2.gz CZHSJIDLNPSCKP-DXCKQFNASA-N 0 3 338.404 2.696 10 5 EFBEHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000591860473 478651718 /nfs/dbraw/zinc/65/17/18/478651718.db2.gz XTCUBOMIAVNYKJ-OAHLLOKOSA-N 0 3 340.383 2.513 10 5 EFBEHN O=[N+]([O-])c1cc(F)cnc1N1CCCN(Cc2ccccc2)CC1 ZINC000601101608 478657556 /nfs/dbraw/zinc/65/75/56/478657556.db2.gz TZRPJHAODAVHJC-UHFFFAOYSA-N 0 3 330.363 2.841 10 5 EFBEHN CC[C@@H](CN1CCCC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601118036 478667627 /nfs/dbraw/zinc/66/76/27/478667627.db2.gz DHNBDSOBFRKREP-VIFPVBQESA-N 0 3 335.330 2.633 10 5 EFBEHN CN(Cc1ccccc1)[C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601120711 478668328 /nfs/dbraw/zinc/66/83/28/478668328.db2.gz MXADGRKPOWPSTH-HNNXBMFYSA-N 0 3 330.363 2.840 10 5 EFBEHN Cc1ccc(CNc2cnn(C3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000601150066 478689177 /nfs/dbraw/zinc/68/91/77/478689177.db2.gz TZVDYZNOYNXDDI-UHFFFAOYSA-N 0 3 329.404 2.979 10 5 EFBEHN COc1ccc(CN[C@](C)(CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000601153562 478693439 /nfs/dbraw/zinc/69/34/39/478693439.db2.gz QFZFMIAYEWPCFS-SFHVURJKSA-N 0 3 348.374 2.826 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000564156513 478698845 /nfs/dbraw/zinc/69/88/45/478698845.db2.gz WWLVPAKABJYGOV-LSDHHAIUSA-N 0 3 333.432 2.841 10 5 EFBEHN CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1CCCN(C)C1 ZINC000601231715 478737672 /nfs/dbraw/zinc/73/76/72/478737672.db2.gz IVUKFWFOOKGFEL-MRXNPFEDSA-N 0 3 331.416 2.569 10 5 EFBEHN CO[C@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000595373188 478752966 /nfs/dbraw/zinc/75/29/66/478752966.db2.gz XZTXWEHBQDDSKE-GDBMZVCRSA-N 0 3 334.420 2.681 10 5 EFBEHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC1CN(c3ccncn3)C1)CCCC2 ZINC000601303944 478775676 /nfs/dbraw/zinc/77/56/76/478775676.db2.gz LLSIRAPXKHOPFA-KRWDZBQOSA-N 0 3 339.399 2.631 10 5 EFBEHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc(CO)c(F)c2)n1 ZINC000564705553 478790028 /nfs/dbraw/zinc/79/00/28/478790028.db2.gz GNJRTJFOKXUVTL-JKSUJKDBSA-N 0 3 348.378 2.696 10 5 EFBEHN O=[N+]([O-])c1ccccc1CN(CCc1cn[nH]c1)[C@H]1CC[C@H](O)CC1 ZINC000592132212 478790941 /nfs/dbraw/zinc/79/09/41/478790941.db2.gz BWCHRISTMIBWSB-QAQDUYKDSA-N 0 3 344.415 2.666 10 5 EFBEHN CN(CCn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)Cc1ccccc1 ZINC000564959313 478870271 /nfs/dbraw/zinc/87/02/71/478870271.db2.gz TXFFQQSLYWYKAV-UHFFFAOYSA-N 0 3 341.411 2.767 10 5 EFBEHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1Cl)[C@@]1(O)CCOC1 ZINC000592374401 478872429 /nfs/dbraw/zinc/87/24/29/478872429.db2.gz FBNAEXVWAXGRLV-OAHLLOKOSA-N 0 3 328.796 2.515 10 5 EFBEHN CC(C)c1ccc(CNCC(C)(C)[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592375640 478873603 /nfs/dbraw/zinc/87/36/03/478873603.db2.gz XYEOENFPSMYRMB-SFHVURJKSA-N 0 3 336.432 2.985 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)N[C@@H](CC)C1 ZINC000598531070 478881517 /nfs/dbraw/zinc/88/15/17/478881517.db2.gz FQOCOQMNHMKXBX-BMFZPTHFSA-N 0 3 333.432 2.762 10 5 EFBEHN CCOc1cc(CN[C@@H](COC)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000595615850 478889940 /nfs/dbraw/zinc/88/99/40/478889940.db2.gz NTWJOVVTFCASDM-HNNXBMFYSA-N 0 3 338.404 2.525 10 5 EFBEHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](CO)C1CCC1 ZINC000595617993 478892721 /nfs/dbraw/zinc/89/27/21/478892721.db2.gz VUXLCQYQVSKYQL-LBPRGKRZSA-N 0 3 329.194 2.608 10 5 EFBEHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000595661476 478920863 /nfs/dbraw/zinc/92/08/63/478920863.db2.gz CCFLKSOEAMBIMZ-INIZCTEOSA-N 0 3 348.447 2.652 10 5 EFBEHN Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2CN)cc([N+](=O)[O-])c1 ZINC000592566990 478943122 /nfs/dbraw/zinc/94/31/22/478943122.db2.gz INYIJTAWHJDVTD-KRWDZBQOSA-N 0 3 325.368 2.602 10 5 EFBEHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565281341 478966937 /nfs/dbraw/zinc/96/69/37/478966937.db2.gz MQXWGUAWTWYVQD-CHWSQXEVSA-N 0 3 344.415 2.608 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](Nc2ncccn2)C1 ZINC000583995166 478990092 /nfs/dbraw/zinc/99/00/92/478990092.db2.gz PCHZYYOENRYVBS-DKGMDFAASA-N 0 3 339.399 2.975 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](Nc2ncccn2)C1 ZINC000583995169 478990875 /nfs/dbraw/zinc/99/08/75/478990875.db2.gz PCHZYYOENRYVBS-SCOADAFUSA-N 0 3 339.399 2.975 10 5 EFBEHN Cc1cccc(C(=O)Nc2cnn(C3CCN(C)CC3)c2)c1[N+](=O)[O-] ZINC000601779826 479000232 /nfs/dbraw/zinc/00/02/32/479000232.db2.gz YLZLDTYIVGGSPS-UHFFFAOYSA-N 0 3 343.387 2.619 10 5 EFBEHN CCCN1CC[C@@H](NC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000595808788 479010301 /nfs/dbraw/zinc/01/03/01/479010301.db2.gz WJZZZSVZTLEKIN-ZBFHGGJFSA-N 0 3 334.420 2.829 10 5 EFBEHN C[C@@H]1COC2(CCCC2)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595813756 479012632 /nfs/dbraw/zinc/01/26/32/479012632.db2.gz BJSWDGXYHBFBQF-CQSZACIVSA-N 0 3 347.415 2.957 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000595924637 479076462 /nfs/dbraw/zinc/07/64/62/479076462.db2.gz OINZTUFVGXCKMJ-UHFFFAOYSA-N 0 3 330.344 2.611 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)[C@H]3CCCO3)s2)cc1 ZINC000598990161 479116164 /nfs/dbraw/zinc/11/61/64/479116164.db2.gz IHJLRDZKEYCEFB-HZPDHXFCSA-N 0 3 348.424 2.953 10 5 EFBEHN O=[N+]([O-])c1cccc(CNCC2(OCCO)CCC(F)(F)CC2)c1 ZINC000598992659 479117742 /nfs/dbraw/zinc/11/77/42/479117742.db2.gz ABKWUPNAQSSQNQ-UHFFFAOYSA-N 0 3 344.358 2.641 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(OCc2cccc3c2CCNC3)c1 ZINC000596071120 479120805 /nfs/dbraw/zinc/12/08/05/479120805.db2.gz WLANFDBVXJTFRI-UHFFFAOYSA-N 0 3 342.351 2.606 10 5 EFBEHN Cc1ccc(CNC[C@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000598999450 479120767 /nfs/dbraw/zinc/12/07/67/479120767.db2.gz NCGBKGFXQPQEOH-KRWDZBQOSA-N 0 3 325.368 2.820 10 5 EFBEHN CN(C)CCCN(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548048162 479122364 /nfs/dbraw/zinc/12/23/64/479122364.db2.gz XXWSPWQLGCAPNG-UHFFFAOYSA-N 0 3 337.423 2.705 10 5 EFBEHN Cn1cc(CN[C@H]2CO[C@H](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599006367 479122899 /nfs/dbraw/zinc/12/28/99/479122899.db2.gz HJEHGRUMBGXXJE-WBVHZDCISA-N 0 3 342.399 2.652 10 5 EFBEHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC1 ZINC000599008325 479124816 /nfs/dbraw/zinc/12/48/16/479124816.db2.gz RXPPVUPCQMHUIC-UHFFFAOYSA-N 0 3 339.823 2.986 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)[C@@](C)(OC)C2CC2)c1 ZINC000593035101 479135877 /nfs/dbraw/zinc/13/58/77/479135877.db2.gz XFUDHZWJMTVVCL-APPDUMDISA-N 0 3 336.388 2.675 10 5 EFBEHN CN(C)[C@@]1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCSC1 ZINC000599052949 479139713 /nfs/dbraw/zinc/13/97/13/479139713.db2.gz CCOUXQIHYOEQKZ-MRXNPFEDSA-N 0 3 332.429 2.992 10 5 EFBEHN O=[N+]([O-])c1c(NC2CCN([C@@H]3CCOC3)CC2)ccc2cnccc21 ZINC000599060027 479143035 /nfs/dbraw/zinc/14/30/35/479143035.db2.gz LKBHQUPLMCSFOH-OAHLLOKOSA-N 0 3 342.399 2.808 10 5 EFBEHN CS[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000599059316 479143143 /nfs/dbraw/zinc/14/31/43/479143143.db2.gz MVWVQEOMRKIXIF-CABCVRRESA-N 0 3 332.429 2.625 10 5 EFBEHN CC(C)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599088905 479156040 /nfs/dbraw/zinc/15/60/40/479156040.db2.gz QYIRWTHJBKLSMC-HNNXBMFYSA-N 0 3 331.416 2.820 10 5 EFBEHN CC(C)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599088906 479157073 /nfs/dbraw/zinc/15/70/73/479157073.db2.gz QYIRWTHJBKLSMC-OAHLLOKOSA-N 0 3 331.416 2.820 10 5 EFBEHN Cc1noc([C@H]2OCC[C@H]2N[C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000599090746 479157697 /nfs/dbraw/zinc/15/76/97/479157697.db2.gz CHROUPLEZNFPCI-PEYYIBSZSA-N 0 3 346.387 2.727 10 5 EFBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CCC2)C1=O ZINC000599094326 479159929 /nfs/dbraw/zinc/15/99/29/479159929.db2.gz UEHDKAPUBRHLLN-CJNGLKHVSA-N 0 3 331.416 2.659 10 5 EFBEHN COC(=O)c1c(Cl)c(N[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596146821 479163640 /nfs/dbraw/zinc/16/36/40/479163640.db2.gz QGJPAEBHWFQGSH-UWVGGRQHSA-N 0 3 341.795 2.929 10 5 EFBEHN NC(=O)c1ccc(NC[C@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599126424 479169948 /nfs/dbraw/zinc/16/99/48/479169948.db2.gz GXVMAYGFSOYTRE-CQSZACIVSA-N 0 3 332.404 2.513 10 5 EFBEHN COC(=O)c1cnc(NC[C@@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599125792 479170586 /nfs/dbraw/zinc/17/05/86/479170586.db2.gz BVCWLXKHABALCE-AWEZNQCLSA-N 0 3 348.403 2.595 10 5 EFBEHN O=[N+]([O-])c1cccc(-c2ccc(CNC3(CCO)CCOCC3)o2)c1 ZINC000610771626 479183345 /nfs/dbraw/zinc/18/33/45/479183345.db2.gz HUCDMENWGBDYLJ-UHFFFAOYSA-N 0 3 346.383 2.876 10 5 EFBEHN O=C(CCN1CC[C@]2(CC2(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000593116292 479183435 /nfs/dbraw/zinc/18/34/35/479183435.db2.gz HFYQZBXFACGHTG-AWEZNQCLSA-N 0 3 325.315 2.655 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@]2(CC2(F)F)C1 ZINC000593118779 479187514 /nfs/dbraw/zinc/18/75/14/479187514.db2.gz RYCDUPLQWKTICV-HNNXBMFYSA-N 0 3 339.342 2.963 10 5 EFBEHN O=c1[nH]cnc2cc(NC[C@H]3CCN3C3CCCC3)c([N+](=O)[O-])cc21 ZINC000599165727 479190940 /nfs/dbraw/zinc/19/09/40/479190940.db2.gz RMVYFQHEQSMNBG-GFCCVEGCSA-N 0 3 343.387 2.672 10 5 EFBEHN O=[N+]([O-])c1ccsc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596425529 479290655 /nfs/dbraw/zinc/29/06/55/479290655.db2.gz ZTAJRDFLTJMGJR-CQSZACIVSA-N 0 3 333.413 2.835 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C(F)F)C1 ZINC000611179611 479304093 /nfs/dbraw/zinc/30/40/93/479304093.db2.gz GFXDXLABHYFBBP-NSHDSACASA-N 0 3 327.331 2.819 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C(F)F)C1 ZINC000611180310 479304792 /nfs/dbraw/zinc/30/47/92/479304792.db2.gz WQDNPYKLEWLLPG-SNVBAGLBSA-N 0 3 343.330 2.519 10 5 EFBEHN O=C1C[C@H]([C@H]2CCCCN2C/C=C\c2ccccc2[N+](=O)[O-])CN1 ZINC000611287517 479338608 /nfs/dbraw/zinc/33/86/08/479338608.db2.gz DQHDFBZDCOHPRR-JKWYKVDLSA-N 0 3 329.400 2.599 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000599649561 479368960 /nfs/dbraw/zinc/36/89/60/479368960.db2.gz BNPKKYOHNYLFAW-BRWVUGGUSA-N 0 3 332.400 2.801 10 5 EFBEHN C[C@H](NC[C@H](O)CN(C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407712 479371047 /nfs/dbraw/zinc/37/10/47/479371047.db2.gz MWFKGSQDIXYXHO-RDJZCZTQSA-N 0 3 343.427 2.738 10 5 EFBEHN CN(C)CCOc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000596647884 479371342 /nfs/dbraw/zinc/37/13/42/479371342.db2.gz XYNPPZMXXWEISY-UHFFFAOYSA-N 0 3 330.384 2.737 10 5 EFBEHN CN1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H]1c1ccccc1 ZINC000588007912 479383169 /nfs/dbraw/zinc/38/31/69/479383169.db2.gz MKEXCIORZODVHB-WMZOPIPTSA-N 0 3 342.399 2.527 10 5 EFBEHN O=C1[C@H](N2CCCC3(CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599673844 479383787 /nfs/dbraw/zinc/38/37/87/479383787.db2.gz ZPRCDYGKVUVRST-MRXNPFEDSA-N 0 3 329.400 2.966 10 5 EFBEHN COC(=O)[C@@H]1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599687649 479391852 /nfs/dbraw/zinc/39/18/52/479391852.db2.gz FIIRCHJHCJQVMX-BTTYYORXSA-N 0 3 336.388 2.636 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](NCCCn2cncn2)c2ccccc2)c1 ZINC000611521321 479404026 /nfs/dbraw/zinc/40/40/26/479404026.db2.gz BIBRTDOPWHFFQO-GOSISDBHSA-N 0 3 337.383 2.956 10 5 EFBEHN CN(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1cccc(F)c1 ZINC000611525317 479404569 /nfs/dbraw/zinc/40/45/69/479404569.db2.gz XLLYZCRILJZKDV-MRXNPFEDSA-N 0 3 348.378 2.523 10 5 EFBEHN O=[N+]([O-])c1ccc(CNC[C@@]2(CO)CCc3ccccc32)c(F)c1 ZINC000593653116 479413978 /nfs/dbraw/zinc/41/39/78/479413978.db2.gz SYCHRNZDLKACNW-GOSISDBHSA-N 0 3 330.359 2.700 10 5 EFBEHN O=C(CCN1CCC[C@H](OC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611579771 479424412 /nfs/dbraw/zinc/42/44/12/479424412.db2.gz WDZMCHJQZGEJDF-ZDUSSCGKSA-N 0 3 343.330 2.627 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCC2(CO)CCC2)c1 ZINC000593693255 479424800 /nfs/dbraw/zinc/42/48/00/479424800.db2.gz JUCLADXTXMLSKJ-UHFFFAOYSA-N 0 3 330.331 2.839 10 5 EFBEHN COC[C@H]1CCCCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589511994 479535446 /nfs/dbraw/zinc/53/54/46/479535446.db2.gz SCDQXRZIALDGJF-ZDUSSCGKSA-N 0 3 336.388 2.630 10 5 EFBEHN COC[C@@H]1CCCCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589511992 479536241 /nfs/dbraw/zinc/53/62/41/479536241.db2.gz SCDQXRZIALDGJF-CYBMUJFWSA-N 0 3 336.388 2.630 10 5 EFBEHN COC(=O)CC(C)(C)C[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597117428 479580369 /nfs/dbraw/zinc/58/03/69/479580369.db2.gz PFSPHBUSOHQHBU-NSHDSACASA-N 0 3 348.403 2.929 10 5 EFBEHN CN1C[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000590052423 479595531 /nfs/dbraw/zinc/59/55/31/479595531.db2.gz BXPBQPVXVIYPNB-CXAGYDPISA-N 0 3 327.384 2.991 10 5 EFBEHN CN1C[C@H]2[C@@H](CCN2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000590053071 479597027 /nfs/dbraw/zinc/59/70/27/479597027.db2.gz WIWMGAYCIPJWOS-YOEHRIQHSA-N 0 3 327.384 2.991 10 5 EFBEHN CN1C[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000590052564 479597529 /nfs/dbraw/zinc/59/75/29/479597529.db2.gz DZTNHPSAXPJWKI-PBHICJAKSA-N 0 3 327.384 2.991 10 5 EFBEHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590441278 479647922 /nfs/dbraw/zinc/64/79/22/479647922.db2.gz CZHGDNPBHNXKDA-WFASDCNBSA-N 0 3 349.456 2.871 10 5 EFBEHN COC(=O)c1c(Cl)c(N2CCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000590587012 479664276 /nfs/dbraw/zinc/66/42/76/479664276.db2.gz SWTQDPGEJGSTPU-SNVBAGLBSA-N 0 3 341.795 2.565 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000610002477 480227074 /nfs/dbraw/zinc/22/70/74/480227074.db2.gz MQTYGCDJWDZRQL-QAPCUYQASA-N 0 3 333.432 2.843 10 5 EFBEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178223521 519871778 /nfs/dbraw/zinc/87/17/78/519871778.db2.gz KXWGTODOPYQAAT-OCCSQVGLSA-N 0 3 329.404 2.975 10 5 EFBEHN CCOc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000119103139 520895267 /nfs/dbraw/zinc/89/52/67/520895267.db2.gz DZURBCUNOFRJTL-HUUCEWRRSA-N 0 3 347.415 2.550 10 5 EFBEHN CC(C)(C)C1=CCN(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000356981178 534540706 /nfs/dbraw/zinc/54/07/06/534540706.db2.gz VEECNKSWOCDUTD-UHFFFAOYSA-N 0 3 345.443 2.932 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245420196 521629224 /nfs/dbraw/zinc/62/92/24/521629224.db2.gz MSLJKSSWPHWULD-CZUORRHYSA-N 0 3 334.420 2.782 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000176967072 521650476 /nfs/dbraw/zinc/65/04/76/521650476.db2.gz HZZUYGFMDYKZIB-KRWDZBQOSA-N 0 3 348.447 2.730 10 5 EFBEHN COc1cc(CNC[C@](C)(O)CCC(C)C)c([N+](=O)[O-])cc1OC ZINC000077455738 522462309 /nfs/dbraw/zinc/46/23/09/522462309.db2.gz LGJPBSQAEJPGBR-QGZVFWFLSA-N 0 3 340.420 2.889 10 5 EFBEHN CCc1nc2n(n1)C[C@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)CC2 ZINC000180632099 522532784 /nfs/dbraw/zinc/53/27/84/522532784.db2.gz ZLUYHHAVXHTTQL-HIFRSBDPSA-N 0 3 329.404 2.804 10 5 EFBEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000180614482 522533878 /nfs/dbraw/zinc/53/38/78/522533878.db2.gz XNRUPOCJXYKSMC-CHWSQXEVSA-N 0 3 329.404 2.723 10 5 EFBEHN CC[C@@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176706136 522716801 /nfs/dbraw/zinc/71/68/01/522716801.db2.gz GCIKUZPBDUEFKG-IAGOWNOFSA-N 0 3 346.431 2.926 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccnn2CCO)CC1 ZINC000195508426 526079122 /nfs/dbraw/zinc/07/91/22/526079122.db2.gz DYSOFFQRHGFDEF-AWEZNQCLSA-N 0 3 344.415 2.724 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccnn2CCO)CC1 ZINC000195508428 526084069 /nfs/dbraw/zinc/08/40/69/526084069.db2.gz DYSOFFQRHGFDEF-CQSZACIVSA-N 0 3 344.415 2.724 10 5 EFBEHN O=C(CN[C@@H]1CCCC[C@@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000128735679 526889588 /nfs/dbraw/zinc/88/95/88/526889588.db2.gz DPBNQLCNIUXXPJ-HIFRSBDPSA-N 0 3 343.387 2.503 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246225927 527393605 /nfs/dbraw/zinc/39/36/05/527393605.db2.gz FIGDBJOYJPJDGG-ZYSHUDEJSA-N 0 3 345.443 2.577 10 5 EFBEHN CC(C)c1nnc2n1C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178652376 528476336 /nfs/dbraw/zinc/47/63/36/528476336.db2.gz UDMHYYPGMPVMIH-JSGCOSHPSA-N 0 3 329.404 2.975 10 5 EFBEHN CCOc1ccc([C@@H](C)NC[C@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000348684350 535411902 /nfs/dbraw/zinc/41/19/02/535411902.db2.gz PEXPDLZEEZARDE-CZUORRHYSA-N 0 3 345.399 2.815 10 5 EFBEHN CCOc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000356249287 535702280 /nfs/dbraw/zinc/70/22/80/535702280.db2.gz CRCSQEBQKZTCHQ-GOSISDBHSA-N 0 3 347.415 2.551 10 5 EFBEHN CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CCN1CCOC ZINC000349958273 535741388 /nfs/dbraw/zinc/74/13/88/535741388.db2.gz AUUZQDRLPCQMPY-SFHVURJKSA-N 0 3 335.448 2.836 10 5 EFBEHN COc1cc(CN(C)C[C@@H](O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000433057281 536746926 /nfs/dbraw/zinc/74/69/26/536746926.db2.gz GJOPYQPXCZQTSS-INIZCTEOSA-N 0 3 330.384 2.639 10 5 EFBEHN COc1cccc(C(=O)N2CCCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000194315616 537080600 /nfs/dbraw/zinc/08/06/00/537080600.db2.gz IPYUQJDTAVDBNG-AWEZNQCLSA-N 0 3 347.415 2.694 10 5 EFBEHN COC(=O)/C=C\c1ccc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000754025065 575377038 /nfs/dbraw/zinc/37/70/38/575377038.db2.gz OJVWFEQSXABDOP-HKGVJKBXSA-N 0 3 345.399 2.818 10 5 EFBEHN CC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000754432518 575435579 /nfs/dbraw/zinc/43/55/79/575435579.db2.gz ZGZPKRUHDIWMBD-HOTGVXAUSA-N 0 3 332.404 2.719 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000755095976 575540807 /nfs/dbraw/zinc/54/08/07/575540807.db2.gz CDOCXVARHYULLO-OKFGHLOFSA-N 0 3 331.416 2.989 10 5 EFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000755297995 575571659 /nfs/dbraw/zinc/57/16/59/575571659.db2.gz WFYQNQWECGJMHE-DDKJEQMHSA-N 0 3 329.400 2.599 10 5 EFBEHN CC[C@@H](CN1CCCC1)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000755349875 575577096 /nfs/dbraw/zinc/57/70/96/575577096.db2.gz XNFXIFOJQKBIGJ-HECSCLNYSA-N 0 3 331.416 2.989 10 5 EFBEHN CC[C@H](CN1CCCC1)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000755349880 575577235 /nfs/dbraw/zinc/57/72/35/575577235.db2.gz XNFXIFOJQKBIGJ-WCRPCQDQSA-N 0 3 331.416 2.989 10 5 EFBEHN CN1CC[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)[C@H]1c1ccccc1 ZINC000758251272 575864878 /nfs/dbraw/zinc/86/48/78/575864878.db2.gz IPOOSSZYAIVCDG-SUMWQHHRSA-N 0 3 339.355 2.988 10 5 EFBEHN Cc1cc(F)cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000758507616 575871153 /nfs/dbraw/zinc/87/11/53/575871153.db2.gz UWZBSQXMDNFINZ-AGUYFDCRSA-N 0 3 335.379 2.787 10 5 EFBEHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000765849332 577082705 /nfs/dbraw/zinc/08/27/05/577082705.db2.gz OLOQXTWRQXYZNK-LRDDRELGSA-N 0 3 344.367 2.750 10 5 EFBEHN CC/C=C(/C)C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001691489414 1249594799 /nfs/dbraw/zinc/59/47/99/1249594799.db2.gz VVIBZUIKXCHEAY-ICFOCBMYSA-N 0 3 331.416 2.936 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)/C=C(/C)C1CC1 ZINC001273283522 1265473965 /nfs/dbraw/zinc/47/39/65/1265473965.db2.gz RQAVQOFEXDSHDS-OWBHPGMISA-N 0 3 331.416 2.889 10 5 EFBEHN Cc1ccc([C@H](C)NCC[S@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850490806 1250505780 /nfs/dbraw/zinc/50/57/80/1250505780.db2.gz GZQPGVQPPHHSST-MGUXCZDKSA-N 0 3 338.351 2.865 10 5 EFBEHN COc1ccc(CNC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922458432 1266075128 /nfs/dbraw/zinc/07/51/28/1266075128.db2.gz PHRVQMVTRBKAPJ-MFKMUULPSA-N 0 3 334.294 2.803 10 5 EFBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1ccoc1 ZINC001273041114 1266578663 /nfs/dbraw/zinc/57/86/63/1266578663.db2.gz YBFHJWNCCDGGQG-UHFFFAOYSA-N 0 3 329.356 2.630 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)o1 ZINC000922723785 1266681113 /nfs/dbraw/zinc/68/11/13/1266681113.db2.gz CYOBWUSKFMPAQG-IAISJRAMSA-N 0 3 344.367 2.748 10 5 EFBEHN O=C(Cc1ccccc1[N+](=O)[O-])O[C@H]1CCN(Cc2ccccc2)C1 ZINC000735220270 1267241033 /nfs/dbraw/zinc/24/10/33/1267241033.db2.gz KGEGDBFFQIPALD-KRWDZBQOSA-N 0 3 340.379 2.955 10 5 EFBEHN Cc1ccccc1[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406301 1271030680 /nfs/dbraw/zinc/03/06/80/1271030680.db2.gz BIVQVQOLWIZYJK-RHSMWYFYSA-N 0 3 342.399 2.518 10 5 EFBEHN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000843963891 1278683842 /nfs/dbraw/zinc/68/38/42/1278683842.db2.gz GNBPYDUCNMWCRD-MRXNPFEDSA-N 0 3 338.383 2.788 10 5 EFBEHN COc1c(Br)c(C)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101814 1285651352 /nfs/dbraw/zinc/65/13/52/1285651352.db2.gz JHOHXUCQNYVKDN-RXMQYKEDSA-N 0 3 338.179 2.650 10 5 EFBEHN COc1cc(Cc2noc([C@@H]3CC[C@@H](C4CC4)N3)n2)ccc1[N+](=O)[O-] ZINC000844912427 1279360610 /nfs/dbraw/zinc/36/06/10/1279360610.db2.gz GBSIDZBVMDIAPL-STQMWFEESA-N 0 3 344.371 2.780 10 5 EFBEHN Cc1ccnc([C@@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000846969233 1280669054 /nfs/dbraw/zinc/66/90/54/1280669054.db2.gz MRXUXAVYCQWITG-QAPCUYQASA-N 0 3 327.384 2.821 10 5 EFBEHN Cc1ccnc([C@@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000846969229 1280670248 /nfs/dbraw/zinc/67/02/48/1280670248.db2.gz MRXUXAVYCQWITG-CRAIPNDOSA-N 0 3 327.384 2.821 10 5 EFBEHN Cc1ccc(OC[C@@H](O)CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000872232002 1287488373 /nfs/dbraw/zinc/48/83/73/1287488373.db2.gz WSHZABKYKDWAMT-INIZCTEOSA-N 0 3 330.384 2.741 10 5 EFBEHN Cc1ccccc1[C@@H](CO)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC001176177187 1287729087 /nfs/dbraw/zinc/72/90/87/1287729087.db2.gz UATIBJWJNDHDJR-GOSISDBHSA-N 0 3 330.384 2.947 10 5 EFBEHN CC(COC(=O)CCCc1ccccc1Br)[N+](=O)[O-] ZINC000813106961 1285676367 /nfs/dbraw/zinc/67/63/67/1285676367.db2.gz IZOYIGRWHSIDLA-JTQLQIEISA-N 0 3 330.178 2.980 10 5 EFBEHN CC(C)c1cc(C(=O)OCC(C)[N+](=O)[O-])c2cnn(C(C)C)c2n1 ZINC000813101803 1285652210 /nfs/dbraw/zinc/65/22/10/1285652210.db2.gz JBXYUJBGRONRAL-NSHDSACASA-N 0 3 334.376 2.958 10 5 EFBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OCCC(C)C)c1 ZINC000813106500 1285676581 /nfs/dbraw/zinc/67/65/81/1285676581.db2.gz DHURYRPMOGXMHA-GFCCVEGCSA-N 0 3 325.361 2.942 10 5 EFBEHN CC(COC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)[N+](=O)[O-] ZINC000813106166 1285679014 /nfs/dbraw/zinc/67/90/14/1285679014.db2.gz ZRSMPBCJLQDWJF-SECBINFHSA-N 0 3 343.261 2.713 10 5 EFBEHN Cc1nc(SC(F)F)sc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106409 1285679444 /nfs/dbraw/zinc/67/94/44/1285679444.db2.gz COTNSVHEBHREGX-RXMQYKEDSA-N 0 3 326.346 2.517 10 5 EFBEHN COc1cc(Br)ccc1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813108889 1285679994 /nfs/dbraw/zinc/67/99/94/1285679994.db2.gz BQEJSLNARWFBBR-VIFPVBQESA-N 0 3 346.177 2.599 10 5 EFBEHN CCOc1cc2c(cc1/C=C\C(=O)OCC(C)[N+](=O)[O-])O[C@@H](C)C2 ZINC000813109061 1285680019 /nfs/dbraw/zinc/68/00/19/1285680019.db2.gz NTOHMLPYWGJRTC-YGABWQLJSA-N 0 3 335.356 2.630 10 5 EFBEHN CC(COC(=O)CN(Cc1ccccc1)Cc1ccccc1)[N+](=O)[O-] ZINC000813110631 1285683164 /nfs/dbraw/zinc/68/31/64/1285683164.db2.gz FYWWTNXITBRTEL-MRXNPFEDSA-N 0 3 342.395 2.897 10 5 EFBEHN CC(COC(=O)[C@H](c1ccccc1)N1CCc2ccccc21)[N+](=O)[O-] ZINC000813111351 1285683968 /nfs/dbraw/zinc/68/39/68/1285683968.db2.gz RONCQGVGJQJOHY-KSSFIOAISA-N 0 3 340.379 2.999 10 5 EFBEHN CC(COC(=O)C1(c2cccc(Cl)c2)CCOCC1)[N+](=O)[O-] ZINC000813114314 1285685782 /nfs/dbraw/zinc/68/57/82/1285685782.db2.gz PMWPWPAKWVHQEQ-LLVKDONJSA-N 0 3 327.764 2.597 10 5 EFBEHN CN1CCCC[C@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001134555992 1286910524 /nfs/dbraw/zinc/91/05/24/1286910524.db2.gz KBKFJYXAYHIPDL-ZDUSSCGKSA-N 0 3 342.399 2.544 10 5 EFBEHN CCN1CC[C@H]2OCCN(c3nc4ccc([N+](=O)[O-])cc4s3)[C@H]2C1 ZINC000814905535 1287145915 /nfs/dbraw/zinc/14/59/15/1287145915.db2.gz JHYCBJDCLKCPPK-UONOGXRCSA-N 0 3 348.428 2.504 10 5 EFBEHN CN(C(=O)CN1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001176621058 1288050275 /nfs/dbraw/zinc/05/02/75/1288050275.db2.gz XMDYWORMNALWRQ-BDEJMISXSA-N 0 3 341.411 2.702 10 5 EFBEHN CCN1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001178856158 1288944968 /nfs/dbraw/zinc/94/49/68/1288944968.db2.gz IBLDITRAIZHGOV-CYBMUJFWSA-N 0 3 325.796 2.708 10 5 EFBEHN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC001136820619 1289531233 /nfs/dbraw/zinc/53/12/33/1289531233.db2.gz AXPQJCZOBAOWIL-GFCCVEGCSA-N 0 3 337.807 2.949 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@]12CCCO2 ZINC000880508667 1292523476 /nfs/dbraw/zinc/52/34/76/1292523476.db2.gz UZJZOXVBZDDFCM-WBVHZDCISA-N 0 3 333.388 2.533 10 5 EFBEHN C[C@@H](N[C@@H]1CCC[C@]12CCCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000880514979 1292526290 /nfs/dbraw/zinc/52/62/90/1292526290.db2.gz GAPBIYRJERYUNQ-VMGRFDJRSA-N 0 3 333.388 2.613 10 5 EFBEHN O=C(NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc[nH]1 ZINC001490364371 1298857579 /nfs/dbraw/zinc/85/75/79/1298857579.db2.gz RWAIGAJBOWDVBR-UHFFFAOYSA-N 0 3 342.399 2.707 10 5 EFBEHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590099 1299686220 /nfs/dbraw/zinc/68/62/20/1299686220.db2.gz CDXKCLZDFUJGLJ-XVSDVWIESA-N 0 3 342.395 2.952 10 5 EFBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861807861 1302209981 /nfs/dbraw/zinc/20/99/81/1302209981.db2.gz GLRHYCHWXMGMRB-GUYCJALGSA-N 0 3 325.368 2.524 10 5 EFBEHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000863033176 1302529349 /nfs/dbraw/zinc/52/93/49/1302529349.db2.gz SUNAYUHEKXTSQV-ZDUSSCGKSA-N 0 3 335.379 2.789 10 5 EFBEHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccnc(F)c1 ZINC000866474469 1303655252 /nfs/dbraw/zinc/65/52/52/1303655252.db2.gz PMBCMPPATXKTPX-NSHDSACASA-N 0 3 332.335 2.636 10 5 EFBEHN Cc1ccc(CNC(=O)C[C@H]2NCc3ccccc32)cc1[N+](=O)[O-] ZINC000867996336 1304067153 /nfs/dbraw/zinc/06/71/53/1304067153.db2.gz YBPUZPPCBOYIIC-MRXNPFEDSA-N 0 3 325.368 2.754 10 5 EFBEHN Cc1ccc(CNC(=O)NC[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000868758106 1304457994 /nfs/dbraw/zinc/45/79/94/1304457994.db2.gz LVNKCDRKTJDNQJ-CQSZACIVSA-N 0 3 334.420 2.575 10 5 EFBEHN CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1(C)C ZINC000871150095 1305837530 /nfs/dbraw/zinc/83/75/30/1305837530.db2.gz KPOOEVFODFDAIW-UHFFFAOYSA-N 0 3 325.796 2.805 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)C(C)(C)CC2)c1 ZINC000871152113 1305841226 /nfs/dbraw/zinc/84/12/26/1305841226.db2.gz NYDHIRSXDVEYFN-UHFFFAOYSA-N 0 3 337.445 2.873 10 5 EFBEHN CN1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1(C)C ZINC000871155259 1305846721 /nfs/dbraw/zinc/84/67/21/1305846721.db2.gz SHANXNAJBSRCIU-UHFFFAOYSA-N 0 3 325.796 2.805 10 5 EFBEHN Cn1cc([N+](=O)[O-])c(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)n1 ZINC001162597740 1312132607 /nfs/dbraw/zinc/13/26/07/1312132607.db2.gz KDDFIVSYARHARD-FZMZJTMJSA-N 0 3 335.433 2.885 10 5 EFBEHN CN(C)Cc1cccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001163350110 1312294763 /nfs/dbraw/zinc/29/47/63/1312294763.db2.gz FQHMJOFEPKSKHY-UHFFFAOYSA-N 0 3 349.337 2.865 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(OC(C)C)CCOC1 ZINC000903357361 1312595426 /nfs/dbraw/zinc/59/54/26/1312595426.db2.gz LQXKJIGGZMJKQS-SUMWQHHRSA-N 0 3 338.404 2.838 10 5 EFBEHN O=C(CCC(F)(F)F)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001265472493 1316810535 /nfs/dbraw/zinc/81/05/35/1316810535.db2.gz SYDKGWURPHBBJZ-HAQNSBGRSA-N 0 3 345.321 2.674 10 5 EFBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)C1=CCCC1 ZINC001280474891 1317579244 /nfs/dbraw/zinc/57/92/44/1317579244.db2.gz GTHIZIQGRJGXCX-UHFFFAOYSA-N 0 3 329.400 2.834 10 5 EFBEHN CCN1C[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001304043838 1324634230 /nfs/dbraw/zinc/63/42/30/1324634230.db2.gz ZQYPBTCJARMAOE-ABAIWWIYSA-N 0 3 337.395 2.684 10 5 EFBEHN CCN(CCCNC(=O)c1conc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001316901400 1325303831 /nfs/dbraw/zinc/30/38/31/1325303831.db2.gz IXSIUYBHHWVTKW-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)o1 ZINC001317568062 1328151208 /nfs/dbraw/zinc/15/12/08/1328151208.db2.gz ZUTPOEJDDDQSDF-UHFFFAOYSA-N 0 3 337.763 2.703 10 5 EFBEHN CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H]1CN2CCC1CC2 ZINC001331589289 1330856743 /nfs/dbraw/zinc/85/67/43/1330856743.db2.gz VCRASNZSWBPQLS-SFHVURJKSA-N 0 3 339.395 2.914 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C2CCCC2)c1C ZINC001339664937 1331926066 /nfs/dbraw/zinc/92/60/66/1331926066.db2.gz XKENOIPVQHFQTO-HNNXBMFYSA-N 0 3 331.416 2.958 10 5 EFBEHN C[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCN1C1CCCC1 ZINC001348349866 1332827910 /nfs/dbraw/zinc/82/79/10/1332827910.db2.gz TXPGWRMILMLVHI-ZDUSSCGKSA-N 0 3 349.406 2.752 10 5 EFBEHN CC(C)([C@@H](NCC[N+](=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC001354584225 1334389307 /nfs/dbraw/zinc/38/93/07/1334389307.db2.gz LEEMIHNHAFHGPW-HNNXBMFYSA-N 0 3 327.375 2.747 10 5 EFBEHN CCN(CC1CCC1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848486631 1334743523 /nfs/dbraw/zinc/74/35/23/1334743523.db2.gz HVUINGXCEMHQGH-QGZVFWFLSA-N 0 3 331.416 2.990 10 5 EFBEHN C[C@@H]1CN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H](C)[C@H]1C ZINC000848489099 1334745728 /nfs/dbraw/zinc/74/57/28/1334745728.db2.gz PZYBNLSACXAENN-XJIUQZFPSA-N 0 3 331.416 2.845 10 5 EFBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)n1 ZINC001460621020 1396238158 /nfs/dbraw/zinc/23/81/58/1396238158.db2.gz UGBAHEOOHNQJIX-CQSZACIVSA-N 0 3 342.399 2.549 10 5 EFBEHN C[C@H](NCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC001473784567 1397331804 /nfs/dbraw/zinc/33/18/04/1397331804.db2.gz AVEPTCBKAHAOLV-LBPRGKRZSA-N 0 3 339.351 2.542 10 5 EFBEHN C[C@H](NCC1(C2(O)CCC2)CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001473786730 1397331928 /nfs/dbraw/zinc/33/19/28/1397331928.db2.gz JKVPCWPIGSFNHE-ZDUSSCGKSA-N 0 3 347.415 2.597 10 5 EFBEHN CC(F)(F)CC(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001479392593 1397712974 /nfs/dbraw/zinc/71/29/74/1397712974.db2.gz DGBCFYUARMWZHR-AULYBMBSSA-N 0 3 341.358 2.625 10 5 EFBEHN CC(C)(F)C(=O)NCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001479862453 1397967834 /nfs/dbraw/zinc/96/78/34/1397967834.db2.gz MOTGKTXGDZINQM-UHFFFAOYSA-N 0 3 337.395 2.814 10 5 EFBEHN CC1(C)CC(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC001497576861 1401467235 /nfs/dbraw/zinc/46/72/35/1401467235.db2.gz VMWHJNDTEKNXIT-ONEGZZNKSA-N 0 3 331.416 2.793 10 5 EFBEHN O=C(C=C1CCC1)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001501936961 1403890380 /nfs/dbraw/zinc/89/03/80/1403890380.db2.gz AOKONSKNDLFADI-UHFFFAOYSA-N 0 3 329.400 2.834 10 5 EFBEHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)(C)C1 ZINC001558525245 1415185474 /nfs/dbraw/zinc/18/54/74/1415185474.db2.gz HNMIPIVPCKZLMN-ZDUSSCGKSA-N 0 3 325.796 2.708 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC001560125172 1415265060 /nfs/dbraw/zinc/26/50/60/1415265060.db2.gz RTUFTDZKPRAOSM-MAEOIBBWSA-N 0 3 328.368 2.613 10 5 EFBEHN CN(CCCNC(=O)C(C)(C)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001566484230 1415576848 /nfs/dbraw/zinc/57/68/48/1415576848.db2.gz WJMRQUOJRJTVPQ-UHFFFAOYSA-N 0 3 333.432 2.969 10 5 EFBEHN CN(CCCNC(=O)C1(C)CC=CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001566489077 1415581354 /nfs/dbraw/zinc/58/13/54/1415581354.db2.gz OMLLQGBJKAIULU-UHFFFAOYSA-N 0 3 331.416 2.889 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cc2occc2[nH]1 ZINC001567502333 1416163207 /nfs/dbraw/zinc/16/32/07/1416163207.db2.gz DSZCIXUZFTTWFO-UHFFFAOYSA-N 0 3 342.355 2.531 10 5 EFBEHN Cc1ccc(CC(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC001689798006 1417067880 /nfs/dbraw/zinc/06/78/80/1417067880.db2.gz OOQSYIMHOZNYSS-UHFFFAOYSA-N 0 3 345.399 2.677 10 5 EFBEHN CCN(CCCNC(=O)c1oncc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001689963586 1417107996 /nfs/dbraw/zinc/10/79/96/1417107996.db2.gz QMTFNWIPCRBKFL-UHFFFAOYSA-N 0 3 346.387 2.533 10 5 EFBEHN Cc1cccnc1C(=O)N(C)CCCNCc1csc([N+](=O)[O-])c1 ZINC001722998030 1424397523 /nfs/dbraw/zinc/39/75/23/1424397523.db2.gz DYTXBXYBOHNFIX-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN Cc1ccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000813103272 713520625 /nfs/dbraw/zinc/52/06/25/713520625.db2.gz BKXWEHYZPXPBSR-VHSXEESVSA-N 0 3 346.177 2.733 10 5 EFBEHN O=[N+]([O-])c1cc(Br)ccc1CNCC1(O)CCCC1 ZINC000162191098 716740065 /nfs/dbraw/zinc/74/00/65/716740065.db2.gz GJJNCSHKVYLVSV-UHFFFAOYSA-N 0 3 329.194 2.752 10 5 EFBEHN CCN1CCC[C@H](Nc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000255659721 717362217 /nfs/dbraw/zinc/36/22/17/717362217.db2.gz RJPJRPTVVGDKRU-KGXGESDWSA-N 0 3 333.388 2.677 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCN1C[C@H]2CCCCN2C1=O ZINC000895345214 724053912 /nfs/dbraw/zinc/05/39/12/724053912.db2.gz PZYRROQNJVTUTB-OAHLLOKOSA-N 0 3 346.431 2.591 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC2(CC1)COCCO2 ZINC000895696028 724267402 /nfs/dbraw/zinc/26/74/02/724267402.db2.gz MGRUWYLYOAQZMA-RVDMUPIBSA-N 0 3 332.400 2.880 10 5 EFBEHN Cc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000731678703 726916755 /nfs/dbraw/zinc/91/67/55/726916755.db2.gz OENYYYSQOOAJQB-INIZCTEOSA-N 0 3 331.328 2.635 10 5 EFBEHN CCN1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@H](C)C1 ZINC000910267064 727425071 /nfs/dbraw/zinc/42/50/71/727425071.db2.gz QXRRQYMJECLZHJ-OAHLLOKOSA-N 0 3 345.443 2.959 10 5 EFBEHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384701 727830464 /nfs/dbraw/zinc/83/04/64/727830464.db2.gz CEEKFXSSWSQICU-NXEZZACHSA-N 0 3 343.786 2.876 10 5 EFBEHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001587870352 1092861788 /nfs/dbraw/zinc/86/17/88/1092861788.db2.gz YQDJEEARCWHSAN-DOMZBBRYSA-N 0 3 349.456 2.873 10 5 EFBEHN CCN1CCN(c2ccc(Nc3nn(C)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC001651285465 1093549240 /nfs/dbraw/zinc/54/92/40/1093549240.db2.gz AYHMEGFDTAQIBW-UHFFFAOYSA-N 0 3 344.419 2.522 10 5 EFBEHN Cc1ccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001267460800 1094577961 /nfs/dbraw/zinc/57/79/61/1094577961.db2.gz SCUGVOPVBQTOHI-UHFFFAOYSA-N 0 3 327.384 2.765 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)/C=C/c1ccco1 ZINC001268428456 1096586133 /nfs/dbraw/zinc/58/61/33/1096586133.db2.gz GNKIRNBALBRTGB-MDZDMXLPSA-N 0 3 343.383 2.839 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C1CC2(CC2)C1 ZINC001268590806 1097312463 /nfs/dbraw/zinc/31/24/63/1097312463.db2.gz OHKYZCHBLMXCJG-OWOJBTEDSA-N 0 3 329.400 2.547 10 5 EFBEHN O=C(NCc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1)C(F)F ZINC001267932726 1098731230 /nfs/dbraw/zinc/73/12/30/1098731230.db2.gz YGRAEMVLOUXBDS-UHFFFAOYSA-N 0 3 349.337 2.766 10 5 EFBEHN O=[N+]([O-])c1ccc2ncnc(N3CCN[C@@H](c4ccccc4)C3)c2c1 ZINC001612950159 1099084383 /nfs/dbraw/zinc/08/43/83/1099084383.db2.gz HHDXUDDCTBGRBC-QGZVFWFLSA-N 0 3 335.367 2.689 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C(C1CC1)C1CC1 ZINC001481300771 1099131630 /nfs/dbraw/zinc/13/16/30/1099131630.db2.gz IIDWTZANFNYJQW-UHFFFAOYSA-N 0 3 331.416 2.579 10 5 EFBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)n1 ZINC001619411177 1099329265 /nfs/dbraw/zinc/32/92/65/1099329265.db2.gz VGZAMEBMCPFWJJ-BRWVUGGUSA-N 0 3 342.399 2.786 10 5 EFBEHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001620641400 1099364134 /nfs/dbraw/zinc/36/41/34/1099364134.db2.gz MXIHUWBMCYBNNR-JCGIZDLHSA-N 0 3 334.416 2.503 10 5 EFBEHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H](c1ccccc1)N(C)C ZINC001625652014 1099836439 /nfs/dbraw/zinc/83/64/39/1099836439.db2.gz RUBAKHSRVMZOJZ-SJKOYZFVSA-N 0 3 342.399 2.598 10 5 EFBEHN CC(C)CN1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001630560253 1100317951 /nfs/dbraw/zinc/31/79/51/1100317951.db2.gz JVTDHJPXCMKRCS-HNNXBMFYSA-N 0 3 339.823 2.985 10 5 EFBEHN CC(C)N1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001632477415 1100477205 /nfs/dbraw/zinc/47/72/05/1100477205.db2.gz LCXDMWIHHIFQCG-LBPRGKRZSA-N 0 3 325.796 2.851 10 5 EFBEHN CC(C)N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001632477414 1100477396 /nfs/dbraw/zinc/47/73/96/1100477396.db2.gz LCXDMWIHHIFQCG-GFCCVEGCSA-N 0 3 325.796 2.851 10 5 EFBEHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001634684845 1100623797 /nfs/dbraw/zinc/62/37/97/1100623797.db2.gz CMDKQYBLUULLEN-GUYCJALGSA-N 0 3 342.399 2.563 10 5 EFBEHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001634684844 1100624196 /nfs/dbraw/zinc/62/41/96/1100624196.db2.gz CMDKQYBLUULLEN-DYVFJYSZSA-N 0 3 342.399 2.563 10 5 EFBEHN CCN1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C(C)(C)C1 ZINC001635808980 1100681415 /nfs/dbraw/zinc/68/14/15/1100681415.db2.gz LIBPAIZWXGUSGR-HNNXBMFYSA-N 0 3 331.372 2.801 10 5 EFBEHN C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCN1C1CCCC1 ZINC001640412380 1101044387 /nfs/dbraw/zinc/04/43/87/1101044387.db2.gz YOYCZPAUICITDF-NSHDSACASA-N 0 3 335.433 2.757 10 5 EFBEHN CCc1nn(C)c(N2CCN[C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001640548964 1101058436 /nfs/dbraw/zinc/05/84/36/1101058436.db2.gz KNEPFMUIONUEKN-CQSZACIVSA-N 0 3 349.822 2.695 10 5 EFBEHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC001642491279 1101216186 /nfs/dbraw/zinc/21/61/86/1101216186.db2.gz OXYAZYQCFOLQMP-WDEREUQCSA-N 0 3 342.237 2.882 10 5 EFBEHN O=c1[nH]ccc(NCc2ccc(Nc3ccncc3)cc2)c1[N+](=O)[O-] ZINC001642997325 1101262707 /nfs/dbraw/zinc/26/27/07/1101262707.db2.gz XGGKMUSXTLTAID-UHFFFAOYSA-N 0 3 337.339 2.868 10 5 EFBEHN CC(=O)c1ccc(N2CCN[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001643213643 1101280039 /nfs/dbraw/zinc/28/00/39/1101280039.db2.gz HOONOEOGTPOZBM-INIZCTEOSA-N 0 3 325.368 2.948 10 5 EFBEHN Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCCCN1Cc1ccccc1 ZINC001652138590 1101441265 /nfs/dbraw/zinc/44/12/65/1101441265.db2.gz BXIAMKRJIVXCEJ-OAHLLOKOSA-N 0 3 329.404 2.795 10 5 EFBEHN CCN1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C(C)(C)C1 ZINC001652603586 1101519374 /nfs/dbraw/zinc/51/93/74/1101519374.db2.gz NIVNJMXFMMSFDE-CQSZACIVSA-N 0 3 330.388 2.536 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001654081492 1101680759 /nfs/dbraw/zinc/68/07/59/1101680759.db2.gz YIJICDYWIBTGEC-NWDGAFQWSA-N 0 3 344.371 2.655 10 5 EFBEHN Cn1cncc1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001655123406 1101788060 /nfs/dbraw/zinc/78/80/60/1101788060.db2.gz JWSPWIUYVFVAAL-UHFFFAOYSA-N 0 3 330.388 2.587 10 5 EFBEHN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)CN(C)C ZINC000713985534 1102122270 /nfs/dbraw/zinc/12/22/70/1102122270.db2.gz WQSHPTRRNOKRBH-MRVPVSSYSA-N 0 3 345.193 2.889 10 5 EFBEHN Cc1ccc(CC(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)s1 ZINC001664392214 1104375396 /nfs/dbraw/zinc/37/53/96/1104375396.db2.gz ZVJBXFCVRAVAIL-UHFFFAOYSA-N 0 3 347.440 2.755 10 5 EFBEHN CN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001168201989 1104490640 /nfs/dbraw/zinc/49/06/40/1104490640.db2.gz PNGPXPMMWDAGFY-UHFFFAOYSA-N 0 3 342.237 2.883 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC001482907619 1105155589 /nfs/dbraw/zinc/15/55/89/1105155589.db2.gz RQAYDJXSTWPTKC-UHFFFAOYSA-N 0 3 327.384 2.847 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1F ZINC001482907056 1105155741 /nfs/dbraw/zinc/15/57/41/1105155741.db2.gz GKWMELDTQCIVKU-UHFFFAOYSA-N 0 3 345.374 2.986 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C(F)F ZINC001482947042 1105234637 /nfs/dbraw/zinc/23/46/37/1105234637.db2.gz ICAUHXFMKCDVNJ-UHFFFAOYSA-N 0 3 343.374 2.824 10 5 EFBEHN Cc1occc1C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001482982304 1105312152 /nfs/dbraw/zinc/31/21/52/1105312152.db2.gz OXMXSNZQZVOFQD-IHWYPQMZSA-N 0 3 329.356 2.572 10 5 EFBEHN CC(C)(C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001669034416 1105421648 /nfs/dbraw/zinc/42/16/48/1105421648.db2.gz VBLWGUIQELXXKI-ARJAWSKDSA-N 0 3 341.358 2.648 10 5 EFBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)/C=C\c1ccco1 ZINC001669999959 1105567676 /nfs/dbraw/zinc/56/76/76/1105567676.db2.gz DSYGMUSIUGDNNV-WAYWQWQTSA-N 0 3 349.412 2.901 10 5 EFBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)CC(F)(F)F ZINC001670038599 1105571850 /nfs/dbraw/zinc/57/18/50/1105571850.db2.gz OIFWPLDECSWDRQ-UHFFFAOYSA-N 0 3 339.339 2.547 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C1C=CC=CC=C1 ZINC001670110105 1105581829 /nfs/dbraw/zinc/58/18/29/1105581829.db2.gz YPNRYNZALFCFBQ-UHFFFAOYSA-N 0 3 341.411 2.831 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C1(C)CC=CC1 ZINC001670233042 1105601145 /nfs/dbraw/zinc/60/11/45/1105601145.db2.gz HVQDZRLVYWCBBA-UHFFFAOYSA-N 0 3 331.416 2.889 10 5 EFBEHN CN(C)C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000052554916 214133858 /nfs/dbraw/zinc/13/38/58/214133858.db2.gz VLNPWTSGLXXMQE-INIZCTEOSA-N 0 3 327.384 2.556 10 5 EFBEHN CC[C@@H](NC(=O)N1CCCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000159950281 529608898 /nfs/dbraw/zinc/60/88/98/529608898.db2.gz FXRWOFYAFXVGCD-MRXNPFEDSA-N 0 3 334.420 2.783 10 5 EFBEHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)CC1CC(O)C1 ZINC000159432792 529982848 /nfs/dbraw/zinc/98/28/48/529982848.db2.gz FXFYZEPRMKWAQI-UHFFFAOYSA-N 0 3 329.194 2.560 10 5 EFBEHN O=C(CN1C[C@H]2CCCC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177535297 239380143 /nfs/dbraw/zinc/38/01/43/239380143.db2.gz XVUQZJLFZLYPDW-HUUCEWRRSA-N 0 3 329.400 2.606 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414547351 244224569 /nfs/dbraw/zinc/22/45/69/244224569.db2.gz IJYAQEKYMBIBBN-MRXNPFEDSA-N 0 3 331.416 2.880 10 5 EFBEHN CC(C)c1ccc(CN2C[C@@H](C)N(CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418121182 245112243 /nfs/dbraw/zinc/11/22/43/245112243.db2.gz WXWDESOBLATHEU-HUUCEWRRSA-N 0 3 335.448 2.605 10 5 EFBEHN CCOC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000430235478 247753435 /nfs/dbraw/zinc/75/34/35/247753435.db2.gz YWFFUIMCHXZCNY-UHFFFAOYSA-N 0 3 336.388 2.959 10 5 EFBEHN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CCC(O)CC2)cn1 ZINC000433423239 248058036 /nfs/dbraw/zinc/05/80/36/248058036.db2.gz UKIYCOPYXAELMJ-UHFFFAOYSA-N 0 3 342.399 2.559 10 5 EFBEHN Cc1cc(N2CCC[C@H](NCc3ccc([N+](=O)[O-])cc3F)C2)n(C)n1 ZINC000444013508 250249380 /nfs/dbraw/zinc/24/93/80/250249380.db2.gz YMBQZVBOVUAYAC-AWEZNQCLSA-N 0 3 347.394 2.534 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000094139738 218266722 /nfs/dbraw/zinc/26/67/22/218266722.db2.gz JIVZOBBLRKUKOZ-DZGCQCFKSA-N 0 3 331.416 2.829 10 5 EFBEHN CN1CC=C(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000445130849 250387521 /nfs/dbraw/zinc/38/75/21/250387521.db2.gz CIRRZUOKZAFODW-UHFFFAOYSA-N 0 3 347.418 2.673 10 5 EFBEHN O=[N+]([O-])c1ccc(NC[C@H](O)CN2CCCCC2)c(C(F)(F)F)c1 ZINC000174685375 285134947 /nfs/dbraw/zinc/13/49/47/285134947.db2.gz JTWMGEVNMJNUBG-LBPRGKRZSA-N 0 3 347.337 2.872 10 5 EFBEHN COc1cccc2c1C[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000459692372 255918733 /nfs/dbraw/zinc/91/87/33/255918733.db2.gz GXVHBAOEDHJONJ-AWEZNQCLSA-N 0 3 328.368 2.869 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(C3CCC3)CCC2)cc1 ZINC000459747065 255927026 /nfs/dbraw/zinc/92/70/26/255927026.db2.gz CORSJWUPHXSJQX-UHFFFAOYSA-N 0 3 338.429 2.681 10 5 EFBEHN CO[C@@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191714945 533355992 /nfs/dbraw/zinc/35/59/92/533355992.db2.gz VNMJDJRPURCZPC-GUBZILKMSA-N 0 3 329.784 2.588 10 5 EFBEHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccsc1 ZINC000349381685 142326730 /nfs/dbraw/zinc/32/67/30/142326730.db2.gz QLSKCZKOGPVAPK-NHYWBVRUSA-N 0 3 349.412 2.697 10 5 EFBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000341107264 144992495 /nfs/dbraw/zinc/99/24/95/144992495.db2.gz HHJIFLAFFNGVEN-ZIAGYGMSSA-N 0 3 334.420 2.657 10 5 EFBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000341107260 144992785 /nfs/dbraw/zinc/99/27/85/144992785.db2.gz HHJIFLAFFNGVEN-KBPBESRZSA-N 0 3 334.420 2.657 10 5 EFBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000341402514 145046834 /nfs/dbraw/zinc/04/68/34/145046834.db2.gz MOICIGZVPALQFI-GJZGRUSLSA-N 0 3 348.447 2.999 10 5 EFBEHN COC(=O)COc1ccc(CNCCC2(F)CCC2)cc1[N+](=O)[O-] ZINC000342192649 145078204 /nfs/dbraw/zinc/07/82/04/145078204.db2.gz BDWSWLBZZJUUHC-UHFFFAOYSA-N 0 3 340.351 2.519 10 5 EFBEHN O=[N+]([O-])c1cccc(F)c1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000342785087 145192574 /nfs/dbraw/zinc/19/25/74/145192574.db2.gz XWQZIMQOLBYTPQ-AWEZNQCLSA-N 0 3 337.395 2.815 10 5 EFBEHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000351604319 146157647 /nfs/dbraw/zinc/15/76/47/146157647.db2.gz UKQWBVFAZKRCSN-GFCCVEGCSA-N 0 3 330.340 2.850 10 5 EFBEHN COCC[C@@H](COC)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353088038 146393580 /nfs/dbraw/zinc/39/35/80/146393580.db2.gz ZYVORLKAIWWWNR-AWEZNQCLSA-N 0 3 334.372 2.996 10 5 EFBEHN COc1cnccc1N1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000355665801 147028958 /nfs/dbraw/zinc/02/89/58/147028958.db2.gz XESYOCGWYHCIMS-UHFFFAOYSA-N 0 3 342.399 2.629 10 5 EFBEHN COC(=O)COc1ccc(CN2C[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355730838 147046643 /nfs/dbraw/zinc/04/66/43/147046643.db2.gz PKQIXOOWHFEIOA-OLZOCXBDSA-N 0 3 336.388 2.767 10 5 EFBEHN COC(=O)COc1ccc(CN2C[C@H](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000355766379 147056788 /nfs/dbraw/zinc/05/67/88/147056788.db2.gz DIPKHJWRZBPPJG-GFCCVEGCSA-N 0 3 336.388 2.767 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356340705 147217268 /nfs/dbraw/zinc/21/72/68/147217268.db2.gz PDFJKPYOFXNJEW-CJNGLKHVSA-N 0 3 333.432 2.814 10 5 EFBEHN Cc1nc(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000356785422 147335215 /nfs/dbraw/zinc/33/52/15/147335215.db2.gz NGQVXITYUAVZBO-GOSISDBHSA-N 0 3 337.383 2.943 10 5 EFBEHN Cc1n[nH]c(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000356785422 147335219 /nfs/dbraw/zinc/33/52/19/147335219.db2.gz NGQVXITYUAVZBO-GOSISDBHSA-N 0 3 337.383 2.943 10 5 EFBEHN CC[C@H]1C[C@@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000357003005 147396178 /nfs/dbraw/zinc/39/61/78/147396178.db2.gz ZFWJILFUNJLWIH-YJBOKZPZSA-N 0 3 333.432 2.922 10 5 EFBEHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccc(F)c(F)c2)cc1 ZINC000359819536 148198529 /nfs/dbraw/zinc/19/85/29/148198529.db2.gz RTUGIXKUSBRBBJ-AWEZNQCLSA-N 0 3 336.338 2.814 10 5 EFBEHN Cc1cc(F)ccc1[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373298222 151149022 /nfs/dbraw/zinc/14/90/22/151149022.db2.gz GQAXECCUUWJCGS-INIZCTEOSA-N 0 3 348.378 2.609 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](c3ccncn3)C2)cc1 ZINC000374028013 151269915 /nfs/dbraw/zinc/26/99/15/151269915.db2.gz VKSNPHPTVLILLC-AWEZNQCLSA-N 0 3 328.372 2.643 10 5 EFBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@]3(CCOC3)C2)c(Cl)c1 ZINC000374633319 151385517 /nfs/dbraw/zinc/38/55/17/151385517.db2.gz VIUHONRATIRLKQ-IUODEOHRSA-N 0 3 326.780 2.676 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000158423451 225013039 /nfs/dbraw/zinc/01/30/39/225013039.db2.gz CRFATLYMZVHSDA-CMPLNLGQSA-N 0 3 325.796 2.803 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187185309 265091375 /nfs/dbraw/zinc/09/13/75/265091375.db2.gz ZGLKFCSEEBZNBO-GUYCJALGSA-N 0 3 342.399 2.719 10 5 EFBEHN CC[NH+](CC)[C@H](C)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272327341 266230951 /nfs/dbraw/zinc/23/09/51/266230951.db2.gz KWMUTVXJWABLBO-LLVKDONJSA-N 0 3 329.347 2.533 10 5 EFBEHN Cn1cc(CN2CCCSCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272709402 266358726 /nfs/dbraw/zinc/35/87/26/266358726.db2.gz CIIRDUFGSZIBAA-UHFFFAOYSA-N 0 3 332.429 2.934 10 5 EFBEHN COc1cccc(N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000275390821 266797565 /nfs/dbraw/zinc/79/75/65/266797565.db2.gz CJKXADUMXSUDBO-HIFRSBDPSA-N 0 3 337.445 2.619 10 5 EFBEHN Cc1cc(N2CCC[C@H](N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000277514582 267189284 /nfs/dbraw/zinc/18/92/84/267189284.db2.gz DXSDSDYZKWBKKP-ZBFHGGJFSA-N 0 3 343.431 2.956 10 5 EFBEHN C[C@H](N[C@H]1CCOC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277839752 267276702 /nfs/dbraw/zinc/27/67/02/267276702.db2.gz LXHIKNXEGUPPHP-NRUUGDAUSA-N 0 3 341.795 2.590 10 5 EFBEHN CC(C)OCCN1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277919852 267298756 /nfs/dbraw/zinc/29/87/56/267298756.db2.gz SQZQCLYAUQBVEJ-UHFFFAOYSA-N 0 3 347.419 2.772 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(N(C)C)CCC1 ZINC000278111238 267344738 /nfs/dbraw/zinc/34/47/38/267344738.db2.gz CFKWDKRGOYFJTR-UHFFFAOYSA-N 0 3 325.796 2.771 10 5 EFBEHN CCOc1cc(CNC2(CC(=O)OC)CCCC2)ccc1[N+](=O)[O-] ZINC000280265142 273309118 /nfs/dbraw/zinc/30/91/18/273309118.db2.gz CQAAGUMHQZMWHM-UHFFFAOYSA-N 0 3 336.388 2.959 10 5 EFBEHN C[C@H](NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000283485478 273721289 /nfs/dbraw/zinc/72/12/89/273721289.db2.gz XMNWSHSFVRTPKC-LXZKKBNFSA-N 0 3 334.416 2.813 10 5 EFBEHN COCCCN1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000071922337 274020848 /nfs/dbraw/zinc/02/08/48/274020848.db2.gz KTEFXKIKPNHLNN-UHFFFAOYSA-N 0 3 344.415 2.692 10 5 EFBEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183224099 274518588 /nfs/dbraw/zinc/51/85/88/274518588.db2.gz GGLNLFWYYGSWQF-PKFCDNJMSA-N 0 3 341.795 2.732 10 5 EFBEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000183202047 274518619 /nfs/dbraw/zinc/51/86/19/274518619.db2.gz FFXFLMDPCOYMRO-PKFCDNJMSA-N 0 3 341.795 2.732 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000183076019 275399977 /nfs/dbraw/zinc/39/99/77/275399977.db2.gz SPHHVGXABSVVJT-AMWPYFQMSA-N 0 3 329.400 2.740 10 5 EFBEHN CC(C)c1ccc(CN2C[C@H](C)N(CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418121184 276053151 /nfs/dbraw/zinc/05/31/51/276053151.db2.gz WXWDESOBLATHEU-LSDHHAIUSA-N 0 3 335.448 2.605 10 5 EFBEHN CCN1CCC[C@H]1CN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175333191 276183472 /nfs/dbraw/zinc/18/34/72/276183472.db2.gz DNLBREBFNOURBA-HNNXBMFYSA-N 0 3 345.403 2.561 10 5 EFBEHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000157181409 277182570 /nfs/dbraw/zinc/18/25/70/277182570.db2.gz QDHQRRMJUOURDZ-PXAZEXFGSA-N 0 3 342.399 2.632 10 5 EFBEHN C[C@@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178222482 278369245 /nfs/dbraw/zinc/36/92/45/278369245.db2.gz TZGWFMHOYKTARK-UKRRQHHQSA-N 0 3 327.388 2.704 10 5 EFBEHN CO[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000290579698 294126045 /nfs/dbraw/zinc/12/60/45/294126045.db2.gz PJIVFLOVHCGARQ-OPRDCNLKSA-N 0 3 329.784 2.588 10 5 EFBEHN CN1CCC[C@@]2(CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)C1 ZINC000293852727 295063879 /nfs/dbraw/zinc/06/38/79/295063879.db2.gz DGEOAVZAKYCHRE-GOSISDBHSA-N 0 3 342.399 2.634 10 5 EFBEHN CN1CCC[C@]2(CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)C1 ZINC000293852729 295064104 /nfs/dbraw/zinc/06/41/04/295064104.db2.gz DGEOAVZAKYCHRE-SFHVURJKSA-N 0 3 342.399 2.634 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000294002226 295096651 /nfs/dbraw/zinc/09/66/51/295096651.db2.gz XJXLTWDBBKTWSM-INIZCTEOSA-N 0 3 337.807 2.724 10 5 EFBEHN COc1cc(CN[C@H]2CCOC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000295177738 295278337 /nfs/dbraw/zinc/27/83/37/295278337.db2.gz HSAIJMXECGKNKM-ZDUSSCGKSA-N 0 3 346.330 2.862 10 5 EFBEHN CCC[C@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])N(C)C ZINC000162248267 310716580 /nfs/dbraw/zinc/71/65/80/310716580.db2.gz QQXOGTQRWBOTIG-OAHLLOKOSA-N 0 3 336.436 2.552 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000166553844 310733551 /nfs/dbraw/zinc/73/35/51/310733551.db2.gz DOJCYUXPIRNTAH-CABCVRRESA-N 0 3 343.431 2.956 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000298625130 311009081 /nfs/dbraw/zinc/00/90/81/311009081.db2.gz ALLHMEOZINGHIZ-LLVKDONJSA-N 0 3 325.796 2.852 10 5 EFBEHN COc1ccccc1[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299377172 311078359 /nfs/dbraw/zinc/07/83/59/311078359.db2.gz GHCSUGMVUXGNNT-HIFRSBDPSA-N 0 3 346.383 2.694 10 5 EFBEHN COC(=O)c1cc(NCCN2CCCC[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000301685702 311152251 /nfs/dbraw/zinc/15/22/51/311152251.db2.gz LMTZANZZBMQGBL-ZDUSSCGKSA-N 0 3 335.404 2.976 10 5 EFBEHN O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000301728109 311155290 /nfs/dbraw/zinc/15/52/90/311155290.db2.gz RATMFQXIHOHMCH-ZIAGYGMSSA-N 0 3 339.823 2.674 10 5 EFBEHN O=[N+]([O-])c1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)c(F)c1 ZINC000301731483 311155506 /nfs/dbraw/zinc/15/55/06/311155506.db2.gz DTYLLXKLCZNZFR-OAHLLOKOSA-N 0 3 337.395 2.815 10 5 EFBEHN O=[N+]([O-])c1c(F)cccc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000301829324 311161065 /nfs/dbraw/zinc/16/10/65/311161065.db2.gz QYOCWKCWHFHFIU-AWEZNQCLSA-N 0 3 337.395 2.815 10 5 EFBEHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000302169600 311182093 /nfs/dbraw/zinc/18/20/93/311182093.db2.gz TYZSWDVBPSKOGP-SMDDNHRTSA-N 0 3 333.417 2.941 10 5 EFBEHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1N[C@@H]1CNCCC1(F)F ZINC000414997135 312073708 /nfs/dbraw/zinc/07/37/08/312073708.db2.gz HFDHAIOEUBIACW-DUVNUKRYSA-N 0 3 339.386 2.893 10 5 EFBEHN CCOc1ccc([C@H](C)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000423481888 312422396 /nfs/dbraw/zinc/42/23/96/312422396.db2.gz OQUSLWWJEVBTMY-IINYFYTJSA-N 0 3 329.347 2.641 10 5 EFBEHN COC(=O)COc1ccc(CN2C[C@@H]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000475724846 313225921 /nfs/dbraw/zinc/22/59/21/313225921.db2.gz WCCKBRFBBDTENG-GJZGRUSLSA-N 0 3 348.399 2.769 10 5 EFBEHN CCN1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C[C@@H]1C ZINC000497515960 315393178 /nfs/dbraw/zinc/39/31/78/315393178.db2.gz PZAKNGRVWNYNDK-QWHCGFSZSA-N 0 3 335.404 2.609 10 5 EFBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000515087268 315591632 /nfs/dbraw/zinc/59/16/32/315591632.db2.gz GVDBNZBNKDGZJK-IAGOWNOFSA-N 0 3 346.408 2.514 10 5 EFBEHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1)N(C)C ZINC000526952015 316310162 /nfs/dbraw/zinc/31/01/62/316310162.db2.gz OGCODPFNUCTWRJ-DYVFJYSZSA-N 0 3 342.399 2.719 10 5 EFBEHN COc1cc(CN[C@@H](CC(N)=O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000543491857 317851060 /nfs/dbraw/zinc/85/10/60/317851060.db2.gz BVHPVQJEZZJXCO-AWEZNQCLSA-N 0 3 335.404 2.517 10 5 EFBEHN COC[C@@](C)(O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000543702516 317859009 /nfs/dbraw/zinc/85/90/09/317859009.db2.gz YOFUCEPLFQLCBC-MSOLQXFVSA-N 0 3 330.384 2.671 10 5 EFBEHN Cc1ccccc1C[C@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000556056523 318376979 /nfs/dbraw/zinc/37/69/79/318376979.db2.gz RASWRNVXXMENDG-HNNXBMFYSA-N 0 3 329.400 2.628 10 5 EFBEHN C[C@@H]1Cc2ccccc2[C@@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564652209 318878188 /nfs/dbraw/zinc/87/81/88/318878188.db2.gz VOCIWXUFGMNTRD-ACWOFJMJSA-N 0 3 342.395 2.858 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1CN1CCc2ccccc2[C@@H]1CN ZINC000566245065 319051632 /nfs/dbraw/zinc/05/16/32/319051632.db2.gz BQQAFZGNKBFMHP-KRWDZBQOSA-N 0 3 327.384 2.662 10 5 EFBEHN Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000566719830 319104213 /nfs/dbraw/zinc/10/42/13/319104213.db2.gz GXWDBNIMZIQXEL-YOEHRIQHSA-N 0 3 330.384 2.994 10 5 EFBEHN NC[C@H]1c2ccccc2CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000568512062 319291260 /nfs/dbraw/zinc/29/12/60/319291260.db2.gz BNQZFSDAMKKHGA-SFHVURJKSA-N 0 3 327.384 2.532 10 5 EFBEHN C[C@@H]1Cc2ccccc2[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569110486 319349331 /nfs/dbraw/zinc/34/93/31/319349331.db2.gz GQVJTLOPINNRDZ-FRIZHTMISA-N 0 3 342.395 2.858 10 5 EFBEHN CCc1ccc(C(=O)N2CCc3ccccc3[C@H]2CN)cc1[N+](=O)[O-] ZINC000570571434 319489979 /nfs/dbraw/zinc/48/99/79/319489979.db2.gz IHLYIFSRJGNJLJ-GOSISDBHSA-N 0 3 339.395 2.856 10 5 EFBEHN COc1cccc([N+](=O)[O-])c1NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000577540608 320120249 /nfs/dbraw/zinc/12/02/49/320120249.db2.gz FMMTWNBZJPVTKU-KBPBESRZSA-N 0 3 337.420 2.905 10 5 EFBEHN CC[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N(CC)CC ZINC000579664918 324003411 /nfs/dbraw/zinc/00/34/11/324003411.db2.gz UAWCTJBOEFJBDZ-QGZVFWFLSA-N 0 3 346.431 2.855 10 5 EFBEHN CCCN1CCC[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580123082 324100423 /nfs/dbraw/zinc/10/04/23/324100423.db2.gz ALMZQVYQUZSARF-QGZVFWFLSA-N 0 3 344.415 2.609 10 5 EFBEHN CCCN1CCC[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580123081 324100490 /nfs/dbraw/zinc/10/04/90/324100490.db2.gz ALMZQVYQUZSARF-KRWDZBQOSA-N 0 3 344.415 2.609 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000124032749 473206565 /nfs/dbraw/zinc/20/65/65/473206565.db2.gz ZHZTWCUJGWPROL-QGZVFWFLSA-N 0 3 327.384 2.936 10 5 EFBEHN CC[S@@](=O)[C@@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000095986288 473243710 /nfs/dbraw/zinc/24/37/10/473243710.db2.gz HMZRGKHIUYOPBT-UDFDBXRZSA-N 0 3 340.445 2.773 10 5 EFBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000124514944 473254816 /nfs/dbraw/zinc/25/48/16/473254816.db2.gz CHCQVIIJJAZKRD-MNOVXSKESA-N 0 3 325.796 2.803 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000083026649 473313218 /nfs/dbraw/zinc/31/32/18/473313218.db2.gz CEMZIWNTPFONHM-GASCZTMLSA-N 0 3 349.431 2.522 10 5 EFBEHN C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000162237435 473319826 /nfs/dbraw/zinc/31/98/26/473319826.db2.gz OIZZYBLSENKOLB-GXSJLCMTSA-N 0 3 329.194 2.872 10 5 EFBEHN Cc1sc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000148552947 473320247 /nfs/dbraw/zinc/32/02/47/473320247.db2.gz STOPUYSJJWXTGO-WDEREUQCSA-N 0 3 325.434 2.815 10 5 EFBEHN CN(C)CCn1cc(Nc2nc3ccccc3cc2[N+](=O)[O-])cn1 ZINC000616057091 469359230 /nfs/dbraw/zinc/35/92/30/469359230.db2.gz MDWBZOZQFSJFTF-UHFFFAOYSA-N 0 3 326.360 2.645 10 5 EFBEHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000113197903 473364751 /nfs/dbraw/zinc/36/47/51/473364751.db2.gz JCFYWZVXVOLQCM-LBPRGKRZSA-N 0 3 325.434 2.959 10 5 EFBEHN CN1CC[C@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000424195186 477325496 /nfs/dbraw/zinc/32/54/96/477325496.db2.gz XTSGBZMSALNESA-ZDUSSCGKSA-N 0 3 343.383 2.813 10 5 EFBEHN CN(C)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000007816872 471640190 /nfs/dbraw/zinc/64/01/90/471640190.db2.gz NPNKEMVBRUECBA-QGZVFWFLSA-N 0 3 327.384 2.556 10 5 EFBEHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(Cl)c1 ZINC000097033146 472414666 /nfs/dbraw/zinc/41/46/66/472414666.db2.gz YFMBXMFTGKYAFV-JTQLQIEISA-N 0 3 339.754 2.900 10 5 EFBEHN CN1CCN(CCCSc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000097164259 472470828 /nfs/dbraw/zinc/47/08/28/472470828.db2.gz CBKSHSRJQSLTKA-UHFFFAOYSA-N 0 3 329.853 2.978 10 5 EFBEHN CC(C)(CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])N1CCCCC1 ZINC000032837532 472473615 /nfs/dbraw/zinc/47/36/15/472473615.db2.gz OJYRGWXSUQJMPD-UHFFFAOYSA-N 0 3 345.403 2.508 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000155486640 472556434 /nfs/dbraw/zinc/55/64/34/472556434.db2.gz WJNYBVKVXMYILK-PWSUYJOCSA-N 0 3 325.796 2.707 10 5 EFBEHN CC(C)N1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155675916 472593264 /nfs/dbraw/zinc/59/32/64/472593264.db2.gz OVOMCVSNTXARIM-GWCFXTLKSA-N 0 3 325.796 2.707 10 5 EFBEHN C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](C)C1 ZINC000119883677 472597538 /nfs/dbraw/zinc/59/75/38/472597538.db2.gz DTALBEBTDQRBBH-OLZOCXBDSA-N 0 3 344.415 2.926 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058888151 472609426 /nfs/dbraw/zinc/60/94/26/472609426.db2.gz LTJCBDXKUHRNCX-LBPRGKRZSA-N 0 3 330.388 2.680 10 5 EFBEHN CCN(CC)C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058959376 472616594 /nfs/dbraw/zinc/61/65/94/472616594.db2.gz OKDGSSLFYWFPNB-UHFFFAOYSA-N 0 3 333.432 2.718 10 5 EFBEHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1cccc(F)c1 ZINC000090551472 472632876 /nfs/dbraw/zinc/63/28/76/472632876.db2.gz BXTLMBXDNJNSJL-ACJLOTCBSA-N 0 3 345.374 2.979 10 5 EFBEHN Cc1ccc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000120193816 472647067 /nfs/dbraw/zinc/64/70/67/472647067.db2.gz MGPQWGVIOMLAHU-MRXNPFEDSA-N 0 3 341.415 2.794 10 5 EFBEHN CC[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090685099 472652592 /nfs/dbraw/zinc/65/25/92/472652592.db2.gz GCIKUZPBDUEFKG-IRXDYDNUSA-N 0 3 346.431 2.926 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000047143054 472659608 /nfs/dbraw/zinc/65/96/08/472659608.db2.gz ILLVROPEIFTEPR-CYBMUJFWSA-N 0 3 337.445 2.678 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000047143056 472659972 /nfs/dbraw/zinc/65/99/72/472659972.db2.gz ILLVROPEIFTEPR-ZDUSSCGKSA-N 0 3 337.445 2.678 10 5 EFBEHN Cc1cnc(NCc2ccc(OCCN(C)C)cc2)c([N+](=O)[O-])c1 ZINC000078632085 472746445 /nfs/dbraw/zinc/74/64/45/472746445.db2.gz HANLMQNBNUOLGO-UHFFFAOYSA-N 0 3 330.388 2.851 10 5 EFBEHN CCOCCN1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1CC ZINC000105838329 472787147 /nfs/dbraw/zinc/78/71/47/472787147.db2.gz RHCTWHGJZGOPFO-QGZVFWFLSA-N 0 3 335.448 2.570 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CCC(Cn3cccn3)CC2)cc1 ZINC000105887255 472797703 /nfs/dbraw/zinc/79/77/03/472797703.db2.gz MUOUKQFUQPGDFU-UHFFFAOYSA-N 0 3 330.388 2.582 10 5 EFBEHN CCn1cnnc1C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000105928658 472811138 /nfs/dbraw/zinc/81/11/38/472811138.db2.gz RBSCTZORPZQWCS-UHFFFAOYSA-N 0 3 329.404 2.894 10 5 EFBEHN Cc1cnc(CCN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000157417093 472818571 /nfs/dbraw/zinc/81/85/71/472818571.db2.gz GNHJQCCPWCTCNO-UHFFFAOYSA-N 0 3 348.428 2.863 10 5 EFBEHN COc1ccccc1CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157911992 472872900 /nfs/dbraw/zinc/87/29/00/472872900.db2.gz LTRFQOLTIGDELK-UHFFFAOYSA-N 0 3 344.415 2.755 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134607117 472937254 /nfs/dbraw/zinc/93/72/54/472937254.db2.gz LFSRDTVAVMFGEW-NSHDSACASA-N 0 3 325.796 2.852 10 5 EFBEHN Cc1ccnc(Nc2cnn(CCN3CCCCC3)c2)c1[N+](=O)[O-] ZINC000092978266 473016994 /nfs/dbraw/zinc/01/69/94/473016994.db2.gz DHDJRDVMSMDISB-UHFFFAOYSA-N 0 3 330.392 2.724 10 5 EFBEHN O=[N+]([O-])c1ccccc1/C=C/CN1CCCC[C@@H]1CN1CCOCC1 ZINC000093011112 473027008 /nfs/dbraw/zinc/02/70/08/473027008.db2.gz MUGATZJQVJDWPK-SUQGKYDKSA-N 0 3 345.443 2.795 10 5 EFBEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000159588439 473041951 /nfs/dbraw/zinc/04/19/51/473041951.db2.gz SZUMGPORBXPOFH-STQMWFEESA-N 0 3 343.383 2.941 10 5 EFBEHN C[C@H]1CC(C)(C)C[C@](CO)(NCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000080902455 473097645 /nfs/dbraw/zinc/09/76/45/473097645.db2.gz UJWNXXPXGVGMND-SCLBCKFNSA-N 0 3 349.431 2.700 10 5 EFBEHN CCN1CC[C@@H](N(C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000160419801 473120850 /nfs/dbraw/zinc/12/08/50/473120850.db2.gz DAAYMNFBDTVYIX-QMTHXVAHSA-N 0 3 341.358 2.675 10 5 EFBEHN CNc1ccc(CNCCC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000075126703 473133449 /nfs/dbraw/zinc/13/34/49/473133449.db2.gz NOJPILGTLRRRNV-UHFFFAOYSA-N 0 3 334.420 2.519 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000094081166 473174497 /nfs/dbraw/zinc/17/44/97/473174497.db2.gz IWAFNEYEKJSMDL-UHFFFAOYSA-N 0 3 345.403 2.530 10 5 EFBEHN CCc1nccn1[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000137050192 473192506 /nfs/dbraw/zinc/19/25/06/473192506.db2.gz XQQGMZHNAXQTKC-SJORKVTESA-N 0 3 344.415 2.724 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000185768773 473509871 /nfs/dbraw/zinc/50/98/71/473509871.db2.gz SANLXZZNUZKMAL-ABDJAZHISA-N 0 3 329.400 2.695 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000166553941 473528091 /nfs/dbraw/zinc/52/80/91/473528091.db2.gz DOJCYUXPIRNTAH-GJZGRUSLSA-N 0 3 343.431 2.956 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000127601358 473631019 /nfs/dbraw/zinc/63/10/19/473631019.db2.gz PCYRXZDDCAZSIB-UHFFFAOYSA-N 0 3 346.391 2.614 10 5 EFBEHN Cn1cc([C@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116318950 473651288 /nfs/dbraw/zinc/65/12/88/473651288.db2.gz BPEQBJKGBHHZOM-AWEZNQCLSA-N 0 3 330.388 2.587 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186671553 473721594 /nfs/dbraw/zinc/72/15/94/473721594.db2.gz KVUYRDLIMROORK-GFCCVEGCSA-N 0 3 337.445 2.873 10 5 EFBEHN CCc1ccc([C@H]2CCCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000173654239 473906945 /nfs/dbraw/zinc/90/69/45/473906945.db2.gz NECUXBOMNGCQRC-GOEBONIOSA-N 0 3 348.403 2.535 10 5 EFBEHN NC(=O)c1coc(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000187723386 473908739 /nfs/dbraw/zinc/90/87/39/473908739.db2.gz GDWCPMVZTMWSEL-LRDDRELGSA-N 0 3 343.383 2.788 10 5 EFBEHN CC[C@H](NC[C@@H](O)COCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000181561129 474048732 /nfs/dbraw/zinc/04/87/32/474048732.db2.gz ICLIGAXIKDRREG-WBVHZDCISA-N 0 3 334.372 2.806 10 5 EFBEHN CO[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000188304478 474052058 /nfs/dbraw/zinc/05/20/58/474052058.db2.gz QUOGAXHPABVMES-GUYCJALGSA-N 0 3 344.415 2.852 10 5 EFBEHN CO[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000188304454 474052914 /nfs/dbraw/zinc/05/29/14/474052914.db2.gz QUOGAXHPABVMES-DYVFJYSZSA-N 0 3 344.415 2.852 10 5 EFBEHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COCc1ccccc1 ZINC000282506664 474092014 /nfs/dbraw/zinc/09/20/14/474092014.db2.gz RNDBFUGRHLHDOD-IBGZPJMESA-N 0 3 344.411 2.647 10 5 EFBEHN COc1ccc([C@H]2C[C@H](C)N(CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000174869565 474108554 /nfs/dbraw/zinc/10/85/54/474108554.db2.gz LNACADRCSKEFNX-ZFWWWQNUSA-N 0 3 330.388 2.678 10 5 EFBEHN COc1ccc([C@H]2C[C@@H](C)N(CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000174869554 474108611 /nfs/dbraw/zinc/10/86/11/474108611.db2.gz LNACADRCSKEFNX-HIFRSBDPSA-N 0 3 330.388 2.678 10 5 EFBEHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000247307151 474114668 /nfs/dbraw/zinc/11/46/68/474114668.db2.gz QDHQRRMJUOURDZ-YVEFUNNKSA-N 0 3 342.399 2.632 10 5 EFBEHN O=C(CCN1CCC(c2ncc[nH]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000265516392 474240899 /nfs/dbraw/zinc/24/08/99/474240899.db2.gz RWRVLMCOHHWLHY-UHFFFAOYSA-N 0 3 343.387 2.526 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175543883 474246522 /nfs/dbraw/zinc/24/65/22/474246522.db2.gz BJYAVGBABLALSB-LLVKDONJSA-N 0 3 325.796 2.805 10 5 EFBEHN C[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000289413776 474260192 /nfs/dbraw/zinc/26/01/92/474260192.db2.gz AMHQBLUIMOGWTJ-PXAZEXFGSA-N 0 3 337.395 2.985 10 5 EFBEHN CC[C@H](NC(=O)N[C@@H]1CCCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000175953875 474347325 /nfs/dbraw/zinc/34/73/25/474347325.db2.gz YNPYAAKUFJMRNH-ZBFHGGJFSA-N 0 3 334.420 2.829 10 5 EFBEHN CCN1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000175953442 474348168 /nfs/dbraw/zinc/34/81/68/474348168.db2.gz QUHVYDULXAFACE-ZFWWWQNUSA-N 0 3 334.420 2.748 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CCN(C)C)C(C)C ZINC000275881617 474349871 /nfs/dbraw/zinc/34/98/71/474349871.db2.gz PVSCOOQJIQSGAR-UHFFFAOYSA-N 0 3 327.812 2.969 10 5 EFBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248563572 474358024 /nfs/dbraw/zinc/35/80/24/474358024.db2.gz KCLYPPAFFGTAII-MQIPJXDCSA-N 0 3 337.395 2.682 10 5 EFBEHN CC[C@@H](NC(=O)NC[C@@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000176138345 474392606 /nfs/dbraw/zinc/39/26/06/474392606.db2.gz ZBPRTJDHTDCPIU-MLGOLLRUSA-N 0 3 334.420 2.828 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN1C ZINC000265942501 474395110 /nfs/dbraw/zinc/39/51/10/474395110.db2.gz IFTFJNGYYRAHQC-WCQYABFASA-N 0 3 331.372 2.896 10 5 EFBEHN CC[C@@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176174326 474400690 /nfs/dbraw/zinc/40/06/90/474400690.db2.gz CYICFDIPQFUSAT-XJKSGUPXSA-N 0 3 334.420 2.687 10 5 EFBEHN CN(C)C1(CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000189517299 474427506 /nfs/dbraw/zinc/42/75/06/474427506.db2.gz RGJWJIRRXLFVBB-UHFFFAOYSA-N 0 3 330.388 2.632 10 5 EFBEHN C[C@@H](NC(=O)NCCN1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249684156 474603543 /nfs/dbraw/zinc/60/35/43/474603543.db2.gz CWXCNFMGEFDQFZ-ZIAGYGMSSA-N 0 3 334.420 2.829 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000184790504 474608655 /nfs/dbraw/zinc/60/86/55/474608655.db2.gz NWHZSQCRJQTYFP-YXJHDRRASA-N 0 3 345.443 2.859 10 5 EFBEHN CC(C)(C)[C@H](O)C[C@@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000284279104 474609593 /nfs/dbraw/zinc/60/95/93/474609593.db2.gz JSJPCFMYECZKGF-RRQGHBQHSA-N 0 3 336.432 2.720 10 5 EFBEHN CN1CCC(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000291708357 474655103 /nfs/dbraw/zinc/65/51/03/474655103.db2.gz PRUYCLGDKQJIJG-UHFFFAOYSA-N 0 3 339.823 2.639 10 5 EFBEHN CS[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000291787263 474686986 /nfs/dbraw/zinc/68/69/86/474686986.db2.gz CWYGASVNYKTNPF-GJZGRUSLSA-N 0 3 332.429 2.625 10 5 EFBEHN CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000284618384 474691925 /nfs/dbraw/zinc/69/19/25/474691925.db2.gz SSASOYIYCSKJTO-KGLIPLIRSA-N 0 3 345.321 2.523 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000273112688 474722109 /nfs/dbraw/zinc/72/21/09/474722109.db2.gz OCIFYKSJKFSGLZ-JKSUJKDBSA-N 0 3 336.775 2.605 10 5 EFBEHN O=[N+]([O-])c1ccccc1/C=C\CN1CCCC[C@H]1CN1CCOCC1 ZINC000255121007 474807134 /nfs/dbraw/zinc/80/71/34/474807134.db2.gz MUGATZJQVJDWPK-YEODSOHDSA-N 0 3 345.443 2.795 10 5 EFBEHN COCCCN1CCC(Nc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000268148054 474826021 /nfs/dbraw/zinc/82/60/21/474826021.db2.gz JVBPUHBEEGGDIH-UHFFFAOYSA-N 0 3 341.383 2.655 10 5 EFBEHN CC[C@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000293229815 474878739 /nfs/dbraw/zinc/87/87/39/474878739.db2.gz FVSRFDNKSDOPDE-FUHWJXTLSA-N 0 3 346.431 2.783 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H](n3ccnc3)C2)cc1 ZINC000609257830 480132059 /nfs/dbraw/zinc/13/20/59/480132059.db2.gz GURNBSWIJKARLX-INIZCTEOSA-N 0 3 330.388 2.897 10 5 EFBEHN CCN1CC[C@H]2OCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000293306302 474918394 /nfs/dbraw/zinc/91/83/94/474918394.db2.gz PYBYRNREZVXWGR-JKSUJKDBSA-N 0 3 339.823 2.543 10 5 EFBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000341062847 474932744 /nfs/dbraw/zinc/93/27/44/474932744.db2.gz QHACWVISJYAAKD-GASCZTMLSA-N 0 3 349.431 2.743 10 5 EFBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000341107262 474980406 /nfs/dbraw/zinc/98/04/06/474980406.db2.gz HHJIFLAFFNGVEN-OKILXGFUSA-N 0 3 334.420 2.657 10 5 EFBEHN COc1ccccc1[C@H]1CNCCN1Cc1csc([N+](=O)[O-])c1 ZINC000262142222 475183026 /nfs/dbraw/zinc/18/30/26/475183026.db2.gz DZPOIJIEIVXGJG-CQSZACIVSA-N 0 3 333.413 2.811 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H]1CN1CCOCC1 ZINC000347354070 475259427 /nfs/dbraw/zinc/25/94/27/475259427.db2.gz GECHJGJEGCRUBI-APEZIOSESA-N 0 3 345.443 2.795 10 5 EFBEHN CNc1c(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000361212376 475274405 /nfs/dbraw/zinc/27/44/05/475274405.db2.gz MVYHPZMTRJQSKD-CHWSQXEVSA-N 0 3 334.420 2.629 10 5 EFBEHN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2C)[C@@H]1n1cccn1 ZINC000339598962 475336167 /nfs/dbraw/zinc/33/61/67/475336167.db2.gz RLYYKJLKIAEEHS-BBWFWOEESA-N 0 3 330.388 2.608 10 5 EFBEHN O=C(NC1CCN(C2CCC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000296792890 475479874 /nfs/dbraw/zinc/47/98/74/475479874.db2.gz BSBTXWAPMRJQAQ-UHFFFAOYSA-N 0 3 337.807 2.995 10 5 EFBEHN COc1ccc(OCCN2CCCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000342014368 475505069 /nfs/dbraw/zinc/50/50/69/475505069.db2.gz HEWGPIPZJCUXDD-AWEZNQCLSA-N 0 3 338.404 2.609 10 5 EFBEHN NC(=O)CC1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000354921778 475522671 /nfs/dbraw/zinc/52/26/71/475522671.db2.gz ANVIYCMAKYRXMD-UHFFFAOYSA-N 0 3 329.356 2.743 10 5 EFBEHN C[C@@H]1[C@@H](C(F)(F)F)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348249295 475522969 /nfs/dbraw/zinc/52/29/69/475522969.db2.gz WJNDHSSIFDROMD-QKCSRTOESA-N 0 3 348.321 2.607 10 5 EFBEHN COc1cnccc1N1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000361532765 475525150 /nfs/dbraw/zinc/52/51/50/475525150.db2.gz YXWOMXRTAWPYHF-CQSZACIVSA-N 0 3 342.399 2.882 10 5 EFBEHN CCN(CC)CCSc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000297039833 475585744 /nfs/dbraw/zinc/58/57/44/475585744.db2.gz HTSPYHIUQGMMQY-UHFFFAOYSA-N 0 3 326.418 2.744 10 5 EFBEHN O=[N+]([O-])c1cc(CN2CCC[C@H]([C@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000355207472 475743853 /nfs/dbraw/zinc/74/38/53/475743853.db2.gz OCUFMGPFEZZYKO-KBPBESRZSA-N 0 3 348.399 2.710 10 5 EFBEHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](CO)c1cccnc1)CCC2 ZINC000348643816 475798297 /nfs/dbraw/zinc/79/82/97/475798297.db2.gz OWLXYRRFPBEGBN-CRAIPNDOSA-N 0 3 327.384 2.733 10 5 EFBEHN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCN(C2CC2)C1 ZINC000353326368 475871853 /nfs/dbraw/zinc/87/18/53/475871853.db2.gz BZEDXRGGEZBIDH-AWEZNQCLSA-N 0 3 341.358 2.865 10 5 EFBEHN CCn1c(SC[C@H](C)N(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000358785786 475935536 /nfs/dbraw/zinc/93/55/36/475935536.db2.gz NUVRVZUTVZPJPT-NSHDSACASA-N 0 3 335.433 2.915 10 5 EFBEHN CCOC(=O)CC(C)(C)CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000346961724 475993689 /nfs/dbraw/zinc/99/36/89/475993689.db2.gz KXYZBVVMYZZVCJ-UHFFFAOYSA-N 0 3 335.404 2.717 10 5 EFBEHN CCc1noc(C)c1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000340440090 476036918 /nfs/dbraw/zinc/03/69/18/476036918.db2.gz NXHMANNVHMBDDC-LSDHHAIUSA-N 0 3 333.392 2.924 10 5 EFBEHN CC[C@H](Cn1cncn1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000340508870 476073697 /nfs/dbraw/zinc/07/36/97/476073697.db2.gz QIDRSRJDBHKUEQ-GFCCVEGCSA-N 0 3 343.309 2.774 10 5 EFBEHN O=C([C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000353564677 476082698 /nfs/dbraw/zinc/08/26/98/476082698.db2.gz DJUBUSYGYQFYKA-AFCDSYGPSA-N 0 3 343.427 2.942 10 5 EFBEHN CN(Cc1ccccc1)C1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000343637169 476095585 /nfs/dbraw/zinc/09/55/85/476095585.db2.gz XTIIFTACLBLGJS-UHFFFAOYSA-N 0 3 337.383 2.792 10 5 EFBEHN Cn1cc(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000338710565 476125371 /nfs/dbraw/zinc/12/53/71/476125371.db2.gz WBPREPXVCRMKFB-UHFFFAOYSA-N 0 3 326.356 2.921 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccnc(OCCN(C)C)c2)n1 ZINC000359099854 476187569 /nfs/dbraw/zinc/18/75/69/476187569.db2.gz ONNRJWGIWPFZKO-UHFFFAOYSA-N 0 3 345.403 2.554 10 5 EFBEHN CCOc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000347293088 476236713 /nfs/dbraw/zinc/23/67/13/476236713.db2.gz SMEHMILVDYTVJY-HNNXBMFYSA-N 0 3 347.415 2.740 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N(C)C)CC1 ZINC000347308632 476248475 /nfs/dbraw/zinc/24/84/75/476248475.db2.gz CYLMDABZKJZNLV-SDNWHVSQSA-N 0 3 331.416 2.798 10 5 EFBEHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1cccs1 ZINC000357218581 476293849 /nfs/dbraw/zinc/29/38/49/476293849.db2.gz HYTIKJNHGLZUHT-IAQYHMDHSA-N 0 3 348.428 2.797 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000360666894 476334554 /nfs/dbraw/zinc/33/45/54/476334554.db2.gz SBZHPBWZLNXMQV-QAPCUYQASA-N 0 3 345.443 2.859 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000360666895 476334603 /nfs/dbraw/zinc/33/46/03/476334603.db2.gz SBZHPBWZLNXMQV-YJBOKZPZSA-N 0 3 345.443 2.859 10 5 EFBEHN COc1cc(Cc2noc([C@H]3CCN(C)[C@@H](C)C3)n2)ccc1[N+](=O)[O-] ZINC000351258752 476382465 /nfs/dbraw/zinc/38/24/65/476382465.db2.gz CWHOWEWSRPNISP-AAEUAGOBSA-N 0 3 346.387 2.775 10 5 EFBEHN CC(C)(CN1CCCC1)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000452095460 476818540 /nfs/dbraw/zinc/81/85/40/476818540.db2.gz KVNRZVNABXNLTQ-UHFFFAOYSA-N 0 3 345.403 2.609 10 5 EFBEHN CCOc1ccc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000457077341 476862230 /nfs/dbraw/zinc/86/22/30/476862230.db2.gz CHWVPDXFLAEULI-AWEZNQCLSA-N 0 3 335.404 2.548 10 5 EFBEHN Cc1cc(N2CCC[C@@H](NCc3ccc([N+](=O)[O-])cc3C)C2)n(C)n1 ZINC000375522779 476879875 /nfs/dbraw/zinc/87/98/75/476879875.db2.gz MYYXDKTWCOAEBX-MRXNPFEDSA-N 0 3 343.431 2.704 10 5 EFBEHN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000370581358 476882262 /nfs/dbraw/zinc/88/22/62/476882262.db2.gz CQBHPTJNASICAL-OAHLLOKOSA-N 0 3 338.367 2.615 10 5 EFBEHN COC(=O)COc1ccc(CN2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000446848054 476927659 /nfs/dbraw/zinc/92/76/59/476927659.db2.gz DODKKWMGYJOEFH-UHFFFAOYSA-N 0 3 334.372 2.665 10 5 EFBEHN CC1(C)CCCN[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000423162057 476949507 /nfs/dbraw/zinc/94/95/07/476949507.db2.gz KELQIKDUUBSCCF-INIZCTEOSA-N 0 3 333.432 2.812 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000375781496 477002934 /nfs/dbraw/zinc/00/29/34/477002934.db2.gz XRRCFPPKQWVSTF-RPVQJOFSSA-N 0 3 344.415 2.977 10 5 EFBEHN Cc1sc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000375978755 477112475 /nfs/dbraw/zinc/11/24/75/477112475.db2.gz CZHSEIDOAMIRBF-ZDUSSCGKSA-N 0 3 331.397 2.582 10 5 EFBEHN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CCCCN1C1CC1 ZINC000487764815 478070681 /nfs/dbraw/zinc/07/06/81/478070681.db2.gz WUDUKYJTJAEZTG-CQSZACIVSA-N 0 3 326.400 2.994 10 5 EFBEHN Cc1cc(F)ccc1CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000487965733 478093777 /nfs/dbraw/zinc/09/37/77/478093777.db2.gz URBCOQKASRQOHQ-KRWDZBQOSA-N 0 3 348.374 2.914 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C3CCC3)C[C@H](C)C2)c1 ZINC000488753605 478180703 /nfs/dbraw/zinc/18/07/03/478180703.db2.gz RQFMXFFOJAWTBL-ZDUSSCGKSA-N 0 3 347.415 2.692 10 5 EFBEHN NC[C@H]1c2ccccc2CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000570096749 478282726 /nfs/dbraw/zinc/28/27/26/478282726.db2.gz QBSQLNDWXGQMNW-SFHVURJKSA-N 0 3 339.395 2.612 10 5 EFBEHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1C1CCCCC1 ZINC000600227410 478296892 /nfs/dbraw/zinc/29/68/92/478296892.db2.gz BGWJAWWGTNMEPC-KRWDZBQOSA-N 0 3 331.416 2.661 10 5 EFBEHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCCC1 ZINC000600228394 478297964 /nfs/dbraw/zinc/29/79/64/478297964.db2.gz KWTUQEGBSWGTPZ-OAHLLOKOSA-N 0 3 346.431 2.530 10 5 EFBEHN CNc1ccc(C(=O)NC[C@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600228398 478298714 /nfs/dbraw/zinc/29/87/14/478298714.db2.gz LDIHBASJLGFDFY-OAHLLOKOSA-N 0 3 346.431 2.773 10 5 EFBEHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000600228475 478299423 /nfs/dbraw/zinc/29/94/23/478299423.db2.gz BDGQMRPLJCRYRD-AWEZNQCLSA-N 0 3 335.379 2.871 10 5 EFBEHN Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2CN)ccc1[N+](=O)[O-] ZINC000520409464 478308025 /nfs/dbraw/zinc/30/80/25/478308025.db2.gz KTOAQZZUEVQNHZ-KRWDZBQOSA-N 0 3 325.368 2.602 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600468734 478381538 /nfs/dbraw/zinc/38/15/38/478381538.db2.gz HCKOSVJDAPNSJA-HNNXBMFYSA-N 0 3 331.416 2.958 10 5 EFBEHN CCc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000600474572 478384509 /nfs/dbraw/zinc/38/45/09/478384509.db2.gz YXWCJDJZTIQPBZ-MRXNPFEDSA-N 0 3 331.416 2.904 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000570634503 478403199 /nfs/dbraw/zinc/40/31/99/478403199.db2.gz ZEUBARFUSNMMAP-SFHVURJKSA-N 0 3 339.395 2.910 10 5 EFBEHN Cn1c(=O)ccc2c1CCC[C@@H]2N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506536 478418133 /nfs/dbraw/zinc/41/81/33/478418133.db2.gz BDHMDUXAWQZCBC-HOTGVXAUSA-N 0 3 339.395 2.948 10 5 EFBEHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCNC2(CCCCC2)C1 ZINC000594628915 478474029 /nfs/dbraw/zinc/47/40/29/478474029.db2.gz PBWBOTLTKMRSSU-UHFFFAOYSA-N 0 3 342.399 2.824 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597856826 478542109 /nfs/dbraw/zinc/54/21/09/478542109.db2.gz AUWNKCBLMJOHPG-CQSZACIVSA-N 0 3 344.415 2.608 10 5 EFBEHN C[C@H](C(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597856844 478542336 /nfs/dbraw/zinc/54/23/36/478542336.db2.gz BFUINLXGWMESLG-AAEUAGOBSA-N 0 3 337.395 2.826 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597857633 478543811 /nfs/dbraw/zinc/54/38/11/478543811.db2.gz HQPXYBSEWKIRSV-OAHLLOKOSA-N 0 3 344.415 2.539 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000597857316 478544425 /nfs/dbraw/zinc/54/44/25/478544425.db2.gz DDIMQXCVDRQZPY-INIZCTEOSA-N 0 3 348.447 2.776 10 5 EFBEHN CCOc1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859281 478544724 /nfs/dbraw/zinc/54/47/24/478544724.db2.gz SQCOPBXOKBPGNW-ZDUSSCGKSA-N 0 3 335.404 2.596 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000597859095 478544783 /nfs/dbraw/zinc/54/47/83/478544783.db2.gz RUXSOIWVEYDHTF-LBPRGKRZSA-N 0 3 330.388 2.679 10 5 EFBEHN Cn1cc(N2CCC[C@H](N[C@H]3CCc4c3cccc4[N+](=O)[O-])C2)cn1 ZINC000563418919 478555515 /nfs/dbraw/zinc/55/55/15/478555515.db2.gz ROWFEWINFZMGEF-GUYCJALGSA-N 0 3 341.415 2.574 10 5 EFBEHN CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCN(C)C1 ZINC000597945064 478590026 /nfs/dbraw/zinc/59/00/26/478590026.db2.gz HKSWIBPRWAZYQU-GFCCVEGCSA-N 0 3 345.321 2.780 10 5 EFBEHN CO[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCOC1 ZINC000594948920 478600886 /nfs/dbraw/zinc/60/08/86/478600886.db2.gz BMNZGRASWNZKAB-RDTXWAMCSA-N 0 3 346.383 2.996 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000563626772 478607047 /nfs/dbraw/zinc/60/70/47/478607047.db2.gz VRWMRXJKQHWYHL-KRWDZBQOSA-N 0 3 325.368 2.602 10 5 EFBEHN CCS(=O)(=O)C1(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000594993292 478621089 /nfs/dbraw/zinc/62/10/89/478621089.db2.gz NBZVGYCUFZORPJ-UKTHLTGXSA-N 0 3 338.429 2.555 10 5 EFBEHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(CC)C1 ZINC000598041272 478629217 /nfs/dbraw/zinc/62/92/17/478629217.db2.gz KUCMRUMHCDVJHX-GFCCVEGCSA-N 0 3 325.796 2.805 10 5 EFBEHN CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598040696 478629533 /nfs/dbraw/zinc/62/95/33/478629533.db2.gz QNJYABGMCVPHJL-CYBMUJFWSA-N 0 3 325.796 2.805 10 5 EFBEHN CCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC)C1 ZINC000598042245 478629610 /nfs/dbraw/zinc/62/96/10/478629610.db2.gz WNVZXNAAOTXPKL-YESZJQIVSA-N 0 3 331.416 2.641 10 5 EFBEHN C[C@@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1C ZINC000582585116 478635138 /nfs/dbraw/zinc/63/51/38/478635138.db2.gz CTAITBNREMAQBJ-KGLIPLIRSA-N 0 3 349.434 2.894 10 5 EFBEHN COC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595074942 478651991 /nfs/dbraw/zinc/65/19/91/478651991.db2.gz XEVSFBZPJLBWAO-BLLLJJGKSA-N 0 3 338.404 2.696 10 5 EFBEHN COC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595074944 478652847 /nfs/dbraw/zinc/65/28/47/478652847.db2.gz XEVSFBZPJLBWAO-MLGOLLRUSA-N 0 3 338.404 2.696 10 5 EFBEHN CCOc1ccc([C@@H](C)NCCc2cncc(C)n2)cc1[N+](=O)[O-] ZINC000595092320 478657028 /nfs/dbraw/zinc/65/70/28/478657028.db2.gz YCFKJDUUKREMLF-CYBMUJFWSA-N 0 3 330.388 2.985 10 5 EFBEHN CC[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)N1CCCC1 ZINC000601104393 478659076 /nfs/dbraw/zinc/65/90/76/478659076.db2.gz VPCZFKNWYJUZHX-SECBINFHSA-N 0 3 335.330 2.633 10 5 EFBEHN Cc1ccc([C@H](C)NCCN2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000595099979 478659075 /nfs/dbraw/zinc/65/90/75/478659075.db2.gz HPTXILOIEOUWQN-HOCLYGCPSA-N 0 3 346.431 2.844 10 5 EFBEHN Cc1ccc([C@@H](C)NCCN2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000595099977 478659257 /nfs/dbraw/zinc/65/92/57/478659257.db2.gz HPTXILOIEOUWQN-GDBMZVCRSA-N 0 3 346.431 2.844 10 5 EFBEHN CCN1CC[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H](C)C1 ZINC000601119821 478667363 /nfs/dbraw/zinc/66/73/63/478667363.db2.gz WSLJQEFEVXAIJK-ZJUUUORDSA-N 0 3 349.357 2.514 10 5 EFBEHN CCN1CC[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1C ZINC000601122407 478669691 /nfs/dbraw/zinc/66/96/91/478669691.db2.gz VVRPUFPAKDMPRD-ZJUUUORDSA-N 0 3 349.357 2.656 10 5 EFBEHN O=[N+]([O-])c1cc2c(nc1N1CCN(c3ccncc3)CC1)CCCC2 ZINC000591888560 478675581 /nfs/dbraw/zinc/67/55/81/478675581.db2.gz ABKRTXZSNDVJEO-UHFFFAOYSA-N 0 3 339.399 2.590 10 5 EFBEHN COC(=O)COc1ccc(CN[C@@]23C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC000601148363 478687906 /nfs/dbraw/zinc/68/79/06/478687906.db2.gz AEBQZOSCZVOMIH-GUYCJALGSA-N 0 3 334.372 2.569 10 5 EFBEHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1c1cccc(F)c1 ZINC000595226183 478694601 /nfs/dbraw/zinc/69/46/01/478694601.db2.gz RBYJFCPXAFFUNU-CHWSQXEVSA-N 0 3 349.387 2.752 10 5 EFBEHN NC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC2(CCC2)C1 ZINC000595251027 478701160 /nfs/dbraw/zinc/70/11/60/478701160.db2.gz WUUSCSYIXBRUEK-UHFFFAOYSA-N 0 3 331.416 2.695 10 5 EFBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1NCc2ccccc21 ZINC000595248945 478701628 /nfs/dbraw/zinc/70/16/28/478701628.db2.gz KEVXFSVSQQYWSD-INIZCTEOSA-N 0 3 325.368 2.788 10 5 EFBEHN CN(C[C@@H]1CCCN(C)C1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601180936 478708362 /nfs/dbraw/zinc/70/83/62/478708362.db2.gz ZWNMMNQSNIUSOF-OAHLLOKOSA-N 0 3 345.443 2.817 10 5 EFBEHN CC[C@H](NCCc1nnn(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000595421096 478769087 /nfs/dbraw/zinc/76/90/87/478769087.db2.gz RIHPZFHNFFYLDS-AWEZNQCLSA-N 0 3 332.408 2.620 10 5 EFBEHN CCC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132949 478790467 /nfs/dbraw/zinc/79/04/67/478790467.db2.gz QCNGGXJDSCXNNA-BRWVUGGUSA-N 0 3 336.432 2.861 10 5 EFBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3ccco3)CC2)c1 ZINC000595616832 478889646 /nfs/dbraw/zinc/88/96/46/478889646.db2.gz DLYFKHSPJRAXOC-INIZCTEOSA-N 0 3 346.383 2.807 10 5 EFBEHN COc1ccc(CN2CCc3ccccc3[C@@H]2CN)cc1[N+](=O)[O-] ZINC000592438323 478893619 /nfs/dbraw/zinc/89/36/19/478893619.db2.gz KRSIPORQINQQEL-KRWDZBQOSA-N 0 3 327.384 2.662 10 5 EFBEHN C[C@H]1c2ccccc2C[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595703870 478948643 /nfs/dbraw/zinc/94/86/43/478948643.db2.gz AZHLZKQNZOFEFV-MEDUHNTESA-N 0 3 325.368 2.512 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595769062 478987420 /nfs/dbraw/zinc/98/74/20/478987420.db2.gz OSGKWOKFPGOOKN-RHSMWYFYSA-N 0 3 344.415 2.838 10 5 EFBEHN COc1cc(CN2C[C@]34COC[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC000595911315 479066999 /nfs/dbraw/zinc/06/69/99/479066999.db2.gz UOYZOKFNVJWSQN-HDICACEKSA-N 0 3 332.400 2.996 10 5 EFBEHN Cc1c([N-]C(=O)c2cc(C3CC[NH2+]CC3)no2)cccc1[N+](=O)[O-] ZINC000595929029 479077862 /nfs/dbraw/zinc/07/78/62/479077862.db2.gz FYECTWBGKUUEEP-UHFFFAOYSA-N 0 3 330.344 2.611 10 5 EFBEHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCCC1 ZINC000598961555 479102514 /nfs/dbraw/zinc/10/25/14/479102514.db2.gz NZFOBDCJZJCVMV-MRXNPFEDSA-N 0 3 346.431 2.801 10 5 EFBEHN COc1ccc(CNC[C@@H]2Cc3ccccc3CO2)cc1[N+](=O)[O-] ZINC000598989613 479116328 /nfs/dbraw/zinc/11/63/28/479116328.db2.gz NUGAACUHALLXCE-INIZCTEOSA-N 0 3 328.368 2.835 10 5 EFBEHN COc1ccc(CN2CC[C@@H]2CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000598994173 479117669 /nfs/dbraw/zinc/11/76/69/479117669.db2.gz WYARTKVCGPEECD-GOSISDBHSA-N 0 3 341.411 2.968 10 5 EFBEHN COC(=O)c1cc(OCc2cccc3c2CCNC3)ccc1[N+](=O)[O-] ZINC000596071847 479120713 /nfs/dbraw/zinc/12/07/13/479120713.db2.gz SSNFAUGMNGFGFM-UHFFFAOYSA-N 0 3 342.351 2.606 10 5 EFBEHN C/C=C\CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000599005203 479123565 /nfs/dbraw/zinc/12/35/65/479123565.db2.gz MQTOLBNRUWIDBM-IHWYPQMZSA-N 0 3 332.141 2.865 10 5 EFBEHN COCCN1CCC(Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599026809 479130799 /nfs/dbraw/zinc/13/07/99/479130799.db2.gz GOLYDRLYJJRATO-UHFFFAOYSA-N 0 3 330.388 2.666 10 5 EFBEHN CS[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000599059320 479142981 /nfs/dbraw/zinc/14/29/81/479142981.db2.gz MVWVQEOMRKIXIF-LSDHHAIUSA-N 0 3 332.429 2.625 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)C(=O)N1CCCC1 ZINC000599088779 479156180 /nfs/dbraw/zinc/15/61/80/479156180.db2.gz OAEZWNNXXSTPCB-CYBMUJFWSA-N 0 3 349.431 2.903 10 5 EFBEHN CC[C@H](N[C@@H]1CCO[C@@H]1c1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000599094168 479159391 /nfs/dbraw/zinc/15/93/91/479159391.db2.gz YZEWKWOBRKSKIM-ZNMIVQPWSA-N 0 3 332.360 2.857 10 5 EFBEHN Cn1cc(CNCCOCC2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573859224 479161229 /nfs/dbraw/zinc/16/12/29/479161229.db2.gz PJFUOFOSTYCJLF-UHFFFAOYSA-N 0 3 344.415 2.902 10 5 EFBEHN Cc1cc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000599168247 479192687 /nfs/dbraw/zinc/19/26/87/479192687.db2.gz JTMRROYXQPWYRY-QWJLCTJOSA-N 0 3 345.424 2.941 10 5 EFBEHN CCOc1cc(N2CCC(N3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596267873 479230673 /nfs/dbraw/zinc/23/06/73/479230673.db2.gz ARTYQFUENOGVKG-UHFFFAOYSA-N 0 3 349.431 2.685 10 5 EFBEHN Cc1cc(N2CCC(N3CCCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000596269648 479232023 /nfs/dbraw/zinc/23/20/23/479232023.db2.gz WNILCUZWTLAHLF-UHFFFAOYSA-N 0 3 337.395 2.733 10 5 EFBEHN COC(=O)Cc1ccc(NC[C@@H]2CCN2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309838 479247891 /nfs/dbraw/zinc/24/78/91/479247891.db2.gz XYKYBFJPQAEZNX-ZDUSSCGKSA-N 0 3 335.404 2.595 10 5 EFBEHN COc1ccc(NC(=O)CCN2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179861 479304476 /nfs/dbraw/zinc/30/44/76/479304476.db2.gz LYLFLOSCWZAQBM-JTQLQIEISA-N 0 3 343.330 2.519 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C(F)F)C1 ZINC000611180116 479304522 /nfs/dbraw/zinc/30/45/22/479304522.db2.gz SCLNYONJYFNBFT-LLVKDONJSA-N 0 3 327.331 2.819 10 5 EFBEHN CCCN(C)CC(C)(C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596539644 479333624 /nfs/dbraw/zinc/33/36/24/479333624.db2.gz AQOFWDAKLWYRFT-UHFFFAOYSA-N 0 3 343.449 2.531 10 5 EFBEHN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]([C@@H]3CCOC3)C1)OCCO2 ZINC000611287571 479338724 /nfs/dbraw/zinc/33/87/24/479338724.db2.gz RTBIFGDWPOXXHD-ZIAGYGMSSA-N 0 3 348.399 2.615 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(CO)CCCC(C)(C)C1 ZINC000599596279 479346336 /nfs/dbraw/zinc/34/63/36/479346336.db2.gz QTXJDQCCBJQPDN-SFHVURJKSA-N 0 3 349.431 2.763 10 5 EFBEHN CCN1CCN([C@H](C)CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593455955 479348271 /nfs/dbraw/zinc/34/82/71/479348271.db2.gz WDQPKVOQTPYHGM-CQSZACIVSA-N 0 3 343.431 2.581 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)(N2CCOCC2)CC1 ZINC000599620363 479355451 /nfs/dbraw/zinc/35/54/51/479355451.db2.gz ZRTQRQITHDCQBL-HNNXBMFYSA-N 0 3 333.432 2.843 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599625640 479358848 /nfs/dbraw/zinc/35/88/48/479358848.db2.gz NXLMRLFGKJBKAP-SPTRTOBYSA-N 0 3 341.795 2.588 10 5 EFBEHN C[C@@H](NC[C@H](O)CN(C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407713 479370681 /nfs/dbraw/zinc/37/06/81/479370681.db2.gz MWFKGSQDIXYXHO-WBVHZDCISA-N 0 3 343.427 2.738 10 5 EFBEHN C[C@H](NC[C@@H](O)CN(C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407710 479370744 /nfs/dbraw/zinc/37/07/44/479370744.db2.gz MWFKGSQDIXYXHO-DOTOQJQBSA-N 0 3 343.427 2.738 10 5 EFBEHN C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)N(C)Cc1ccccc1 ZINC000587974960 479377937 /nfs/dbraw/zinc/37/79/37/479377937.db2.gz FJNMVICFWHDFRE-ZDUSSCGKSA-N 0 3 344.415 2.602 10 5 EFBEHN COC(=O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000599662769 479378489 /nfs/dbraw/zinc/37/84/89/479378489.db2.gz XJLWZOAQEHGAOZ-BRWVUGGUSA-N 0 3 348.399 2.637 10 5 EFBEHN COC(=O)C1C[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599687651 479391811 /nfs/dbraw/zinc/39/18/11/479391811.db2.gz FIIRCHJHCJQVMX-STQMWFEESA-N 0 3 336.388 2.636 10 5 EFBEHN CC[C@]1(C)CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593615313 479402856 /nfs/dbraw/zinc/40/28/56/479402856.db2.gz MUHYYGLCIYOTQN-HZPDHXFCSA-N 0 3 340.445 2.927 10 5 EFBEHN COc1cc(CN(CCO)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000611515735 479403409 /nfs/dbraw/zinc/40/34/09/479403409.db2.gz NERCSIQFNCUVSW-UHFFFAOYSA-N 0 3 330.384 2.640 10 5 EFBEHN COC(=O)[C@@H]1C[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599713165 479403474 /nfs/dbraw/zinc/40/34/74/479403474.db2.gz ZVGBSVAGFXJUMD-BTTYYORXSA-N 0 3 336.388 2.636 10 5 EFBEHN COc1ccc(CNC[C@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593653086 479413868 /nfs/dbraw/zinc/41/38/68/479413868.db2.gz RUJDIJRDFIDJKD-IBGZPJMESA-N 0 3 342.395 2.570 10 5 EFBEHN Cc1ccc(CN[C@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000593694972 479425364 /nfs/dbraw/zinc/42/53/64/479425364.db2.gz VHRSMZUCSSMVTH-HNNXBMFYSA-N 0 3 327.384 2.769 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000603833346 479433173 /nfs/dbraw/zinc/43/31/73/479433173.db2.gz HGGLWXBOMPBMRQ-CQSZACIVSA-N 0 3 328.372 2.643 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](NCC[C@@]2(O)CCOC2)c2ccccc2)c1 ZINC000593725878 479436835 /nfs/dbraw/zinc/43/68/35/479436835.db2.gz ZXXGADGGUOFSLW-RTBURBONSA-N 0 3 342.395 2.815 10 5 EFBEHN CN(C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599838588 479448360 /nfs/dbraw/zinc/44/83/60/479448360.db2.gz KYHCKIAEHXKLFZ-UHFFFAOYSA-N 0 3 331.376 2.605 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000618455938 479452466 /nfs/dbraw/zinc/45/24/66/479452466.db2.gz QPAYRLDALLFEKB-CYBMUJFWSA-N 0 3 337.807 2.771 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000596891195 479476020 /nfs/dbraw/zinc/47/60/20/479476020.db2.gz SGAWDQMCEKOTIR-ZDUSSCGKSA-N 0 3 336.392 2.551 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000596891194 479476240 /nfs/dbraw/zinc/47/62/40/479476240.db2.gz SGAWDQMCEKOTIR-CYBMUJFWSA-N 0 3 336.392 2.551 10 5 EFBEHN CCO[C@H]1C[C@H](NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000589506625 479535043 /nfs/dbraw/zinc/53/50/43/479535043.db2.gz LIJVGEADNALDKG-HOTGVXAUSA-N 0 3 348.399 2.819 10 5 EFBEHN CC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCCO1 ZINC000594043873 479564949 /nfs/dbraw/zinc/56/49/49/479564949.db2.gz PBBPTLWVMOBCJY-HOTGVXAUSA-N 0 3 336.388 2.899 10 5 EFBEHN CN1C[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000590052939 479597579 /nfs/dbraw/zinc/59/75/79/479597579.db2.gz QRWBQCKEUGZGRP-XJKSGUPXSA-N 0 3 344.440 2.854 10 5 EFBEHN CC[C@H](CN1CCCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000609833856 480210709 /nfs/dbraw/zinc/21/07/09/480210709.db2.gz YWRRTQFTWCBDFG-GFCCVEGCSA-N 0 3 330.388 2.680 10 5 EFBEHN C[C@@H](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N(C)C ZINC000617758195 480354074 /nfs/dbraw/zinc/35/40/74/480354074.db2.gz JMRFMSWFHKZESH-ZDUSSCGKSA-N 0 3 337.423 2.751 10 5 EFBEHN Cc1c(CC(=O)N[C@@H](CN(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000160006802 533835604 /nfs/dbraw/zinc/83/56/04/533835604.db2.gz MCQGOPJKTKVEEL-KRWDZBQOSA-N 0 3 341.411 2.865 10 5 EFBEHN C[C@H]1CN(CCCCNc2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000153932869 533929855 /nfs/dbraw/zinc/92/98/55/533929855.db2.gz WAQPDHAHHLGBGI-RYUDHWBXSA-N 0 3 342.827 2.945 10 5 EFBEHN CSc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155325621 534187736 /nfs/dbraw/zinc/18/77/36/534187736.db2.gz SNQFRDMFPXUULG-AAEUAGOBSA-N 0 3 337.445 2.775 10 5 EFBEHN CCOCCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000120869630 519920500 /nfs/dbraw/zinc/92/05/00/519920500.db2.gz FDHYIFWPXKNHOX-BVBGJJFLSA-N 0 3 333.432 2.651 10 5 EFBEHN COCCN(C)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180404281 523609789 /nfs/dbraw/zinc/60/97/89/523609789.db2.gz KHKYKZPUJAVQAD-IBGZPJMESA-N 0 3 343.427 2.852 10 5 EFBEHN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc([N+](=O)[O-])c1 ZINC000122515401 524124453 /nfs/dbraw/zinc/12/44/53/524124453.db2.gz IWIKWAHPPPQRPI-KRWDZBQOSA-N 0 3 341.411 2.806 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000124971694 525561527 /nfs/dbraw/zinc/56/15/27/525561527.db2.gz UHBFIUKSCOYPPN-INIZCTEOSA-N 0 3 341.411 2.806 10 5 EFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000075968990 526085039 /nfs/dbraw/zinc/08/50/39/526085039.db2.gz NSZLKCYHKUVCDA-CRAIPNDOSA-N 0 3 333.432 2.843 10 5 EFBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCCN(C3CC3)CC2)c1 ZINC000179733749 527370764 /nfs/dbraw/zinc/37/07/64/527370764.db2.gz FAQMWSLZFOENMO-UHFFFAOYSA-N 0 3 341.358 2.866 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000184353442 527526691 /nfs/dbraw/zinc/52/66/91/527526691.db2.gz WGSMOQBVTJYXGL-SADTYBKJSA-N 0 3 329.400 2.693 10 5 EFBEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137049742 527659705 /nfs/dbraw/zinc/65/97/05/527659705.db2.gz WBLDEQAKNZKCRJ-IRXDYDNUSA-N 0 3 344.415 2.816 10 5 EFBEHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000183363086 527961089 /nfs/dbraw/zinc/96/10/89/527961089.db2.gz MCLIWDRVEOEQJA-DLBZAZTESA-N 0 3 334.416 2.655 10 5 EFBEHN CC(C)Oc1cc(C(=O)N2CCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000411905929 534945260 /nfs/dbraw/zinc/94/52/60/534945260.db2.gz CNFWUZLQVTXPOY-AWEZNQCLSA-N 0 3 335.404 2.548 10 5 EFBEHN CC[C@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccco1 ZINC000359570123 536173254 /nfs/dbraw/zinc/17/32/54/536173254.db2.gz ZJGSUERVGGBZTO-NHYWBVRUSA-N 0 3 346.387 2.750 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000755297999 575571671 /nfs/dbraw/zinc/57/16/71/575571671.db2.gz WFYQNQWECGJMHE-ISBHARSQSA-N 0 3 329.400 2.599 10 5 EFBEHN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000765850342 577083008 /nfs/dbraw/zinc/08/30/08/577083008.db2.gz XLNGQOIDBDPLCQ-ABAIWWIYSA-N 0 3 330.340 2.708 10 5 EFBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3cccnc3)CC2)c1 ZINC000768752155 577298755 /nfs/dbraw/zinc/29/87/55/577298755.db2.gz FKQPZFWPYWTYQJ-SFHVURJKSA-N 0 3 327.384 2.903 10 5 EFBEHN CN(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@H]1CCN(C2CC2)C1 ZINC000774627718 581495611 /nfs/dbraw/zinc/49/56/11/581495611.db2.gz STYLZKSPBPYZKV-ZDUSSCGKSA-N 0 3 349.822 2.724 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)/C=C(\C)C1CC1 ZINC001273283523 1265474526 /nfs/dbraw/zinc/47/45/26/1265474526.db2.gz RQAVQOFEXDSHDS-WYMLVPIESA-N 0 3 331.416 2.889 10 5 EFBEHN O=C(CCC(F)F)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001691155980 1248481542 /nfs/dbraw/zinc/48/15/42/1248481542.db2.gz GHBIMCSWIZTVAK-AULYBMBSSA-N 0 3 341.358 2.625 10 5 EFBEHN O=[N+]([O-])c1cc2c(cc1CNCCC1SCCS1)OCCO2 ZINC000850407475 1250470250 /nfs/dbraw/zinc/47/02/50/1250470250.db2.gz AGCLCFTWWUZSCJ-UHFFFAOYSA-N 0 3 342.442 2.652 10 5 EFBEHN CC[C@H](NCC[S@@](=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850491300 1250505542 /nfs/dbraw/zinc/50/55/42/1250505542.db2.gz OBJYBCIZZMOLAD-AMXDTQDGSA-N 0 3 338.351 2.947 10 5 EFBEHN CC(C)CCC(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001484402596 1252542684 /nfs/dbraw/zinc/54/26/84/1252542684.db2.gz SKLLAGXPMIRNEI-CALCHBBNSA-N 0 3 345.443 2.921 10 5 EFBEHN COc1cc(CNC[C@H]2CCCC3(CCC3)O2)c([N+](=O)[O-])cc1O ZINC000922814589 1266923113 /nfs/dbraw/zinc/92/31/13/1266923113.db2.gz YKYYIDRMXHVHPX-CYBMUJFWSA-N 0 3 336.388 2.890 10 5 EFBEHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000791980287 1278473992 /nfs/dbraw/zinc/47/39/92/1278473992.db2.gz UBVQICXGPGYAGP-ZFWWWQNUSA-N 0 3 341.367 2.944 10 5 EFBEHN Cc1cc(CCC(=O)OCC(C)[N+](=O)[O-])ccc1Br ZINC000813101810 1285651370 /nfs/dbraw/zinc/65/13/70/1285651370.db2.gz JGFZHYXYDYPMHN-JTQLQIEISA-N 0 3 330.178 2.899 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN1CCCCC1 ZINC001136188419 1276610990 /nfs/dbraw/zinc/61/09/90/1276610990.db2.gz IPPRFOUZJMZTSK-ZDUSSCGKSA-N 0 3 335.404 2.598 10 5 EFBEHN Nc1c(C(=O)NCCN2CCCCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001136224061 1276772574 /nfs/dbraw/zinc/77/25/74/1276772574.db2.gz GJDOXBMJBYTLHH-UHFFFAOYSA-N 0 3 342.399 2.546 10 5 EFBEHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000871763654 1287275607 /nfs/dbraw/zinc/27/56/07/1287275607.db2.gz NDNNXXTVCCZHCY-ZIAGYGMSSA-N 0 3 338.795 2.949 10 5 EFBEHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCC[C@]1(O)CCOC1 ZINC000846050203 1280002724 /nfs/dbraw/zinc/00/27/24/1280002724.db2.gz SHXJWNVTJQDVOG-ZDUSSCGKSA-N 0 3 335.187 2.533 10 5 EFBEHN C[C@@H](NCCCN1C[C@@H](C)O[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019579 1287401313 /nfs/dbraw/zinc/40/13/13/1287401313.db2.gz WXIQZYRMUUQPPB-MGPQQGTHSA-N 0 3 339.411 2.884 10 5 EFBEHN COC(=O)N1CCC(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872071678 1287419622 /nfs/dbraw/zinc/41/96/22/1287419622.db2.gz UVHVAUDLVWUFRS-LLVKDONJSA-N 0 3 339.367 2.863 10 5 EFBEHN CC[C@H]1CN(C)CCCN1C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000846989779 1280675560 /nfs/dbraw/zinc/67/55/60/1280675560.db2.gz USAIIKVCWPXZFW-HECSCLNYSA-N 0 3 331.416 2.941 10 5 EFBEHN Cc1ccccc1OC[C@@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000872231386 1287489059 /nfs/dbraw/zinc/48/90/59/1287489059.db2.gz JPYBWWGLHAXNGA-INIZCTEOSA-N 0 3 330.384 2.741 10 5 EFBEHN C[C@@H](NC[C@H]1COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554199 1287591294 /nfs/dbraw/zinc/59/12/94/1287591294.db2.gz UQZRNBRCBZKWIM-YPMHNXCESA-N 0 3 329.356 2.668 10 5 EFBEHN Cc1c(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000810701426 1283536550 /nfs/dbraw/zinc/53/65/50/1283536550.db2.gz RCEXVORSZIMLTB-QGZVFWFLSA-N 0 3 337.395 2.732 10 5 EFBEHN COc1c(Br)c(C)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101815 1285652579 /nfs/dbraw/zinc/65/25/79/1285652579.db2.gz JHOHXUCQNYVKDN-YFKPBYRVSA-N 0 3 338.179 2.650 10 5 EFBEHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCCC(C)C ZINC000813102605 1285653608 /nfs/dbraw/zinc/65/36/08/1285653608.db2.gz SWHWLAIZJKRNKW-LBPRGKRZSA-N 0 3 325.361 2.942 10 5 EFBEHN Cc1ccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000813103266 1285654266 /nfs/dbraw/zinc/65/42/66/1285654266.db2.gz BKXWEHYZPXPBSR-NXEZZACHSA-N 0 3 346.177 2.733 10 5 EFBEHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1Cc1ccccc1 ZINC000813104651 1285654939 /nfs/dbraw/zinc/65/49/39/1285654939.db2.gz FQVKUVKZFQEPTM-ZDUSSCGKSA-N 0 3 331.372 2.706 10 5 EFBEHN CCOc1cc2c(cc1/C=C/C(=O)OCC(C)[N+](=O)[O-])O[C@@H](C)C2 ZINC000813109058 1285680290 /nfs/dbraw/zinc/68/02/90/1285680290.db2.gz NTOHMLPYWGJRTC-WTIVYXKASA-N 0 3 335.356 2.630 10 5 EFBEHN CC(COC(=O)CSCc1coc(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813108899 1285681810 /nfs/dbraw/zinc/68/18/10/1285681810.db2.gz BVEKTJDGYGGMKP-LLVKDONJSA-N 0 3 336.369 2.783 10 5 EFBEHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000813111842 1285682344 /nfs/dbraw/zinc/68/23/44/1285682344.db2.gz ATSXWSDBXINHDZ-ZDUSSCGKSA-N 0 3 331.372 2.955 10 5 EFBEHN CC(COC(=O)CN(Cc1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000813112858 1285684333 /nfs/dbraw/zinc/68/43/33/1285684333.db2.gz UYGOIWQOLMCWEO-OAHLLOKOSA-N 0 3 328.368 2.902 10 5 EFBEHN CC(COC(=O)Cc1csc(Cc2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000813113409 1285684552 /nfs/dbraw/zinc/68/45/52/1285684552.db2.gz DGOLUHCMJQWSRG-SNVBAGLBSA-N 0 3 338.360 2.624 10 5 EFBEHN COc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])c(Cl)c1 ZINC000813115782 1285685530 /nfs/dbraw/zinc/68/55/30/1285685530.db2.gz ZNCDSWBWHRHGQX-VIFPVBQESA-N 0 3 329.736 2.520 10 5 EFBEHN COCCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C)c(C)c1 ZINC001176200400 1287917350 /nfs/dbraw/zinc/91/73/50/1287917350.db2.gz BFYCUOVMQFWGSW-UHFFFAOYSA-N 0 3 332.404 2.557 10 5 EFBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000816952714 1288336566 /nfs/dbraw/zinc/33/65/66/1288336566.db2.gz QKJOPOTYGPERTI-UFBFGSQYSA-N 0 3 344.198 2.678 10 5 EFBEHN CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C(C)(C)C1 ZINC001178860581 1288967506 /nfs/dbraw/zinc/96/75/06/1288967506.db2.gz FTMQGCVKUPYZHT-INIZCTEOSA-N 0 3 349.431 2.842 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1Cc2c[nH]nc2[C@@H](C)C1 ZINC001196789823 1294366791 /nfs/dbraw/zinc/36/67/91/1294366791.db2.gz OKKWZLTZFDAUBW-LBPRGKRZSA-N 0 3 343.387 2.574 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](c2cn(C)nn2)C1 ZINC001198612299 1295148033 /nfs/dbraw/zinc/14/80/33/1295148033.db2.gz NDSJLMJFIAANLV-KGLIPLIRSA-N 0 3 329.404 2.972 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1([C@@H]2CCCO2)CCC1 ZINC001198705004 1295217447 /nfs/dbraw/zinc/21/74/47/1295217447.db2.gz GETJHQALYLEMEX-HNNXBMFYSA-N 0 3 333.388 2.533 10 5 EFBEHN O=C(/C=C\c1ccco1)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001273804886 1295919752 /nfs/dbraw/zinc/91/97/52/1295919752.db2.gz KVRINSKVQSHAMY-XNFVDKGPSA-N 0 3 341.367 2.663 10 5 EFBEHN C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C ZINC000925341608 1296832264 /nfs/dbraw/zinc/83/22/64/1296832264.db2.gz PHOCPZOFSMJEDX-FRFSOERESA-N 0 3 346.431 2.576 10 5 EFBEHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000852351703 1299672564 /nfs/dbraw/zinc/67/25/64/1299672564.db2.gz SKVUJEKLYXOLTR-GLQYFDAESA-N 0 3 342.823 2.904 10 5 EFBEHN CCC1(C(=O)NC[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001691740121 1300229264 /nfs/dbraw/zinc/22/92/64/1300229264.db2.gz KCVWLRBLAUGOPC-OTVXOJSOSA-N 0 3 331.416 2.769 10 5 EFBEHN CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(CC)C1 ZINC000855489875 1300977945 /nfs/dbraw/zinc/97/79/45/1300977945.db2.gz CDXRIVOVYZNSBY-LBPRGKRZSA-N 0 3 325.796 2.805 10 5 EFBEHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCN(CC)C1 ZINC000855490626 1300978361 /nfs/dbraw/zinc/97/83/61/1300978361.db2.gz NCJJZQAKGLZTOB-GFCCVEGCSA-N 0 3 325.796 2.805 10 5 EFBEHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860010672 1301673109 /nfs/dbraw/zinc/67/31/09/1301673109.db2.gz GUENBNGMTAAALA-XIKOKIGWSA-N 0 3 339.395 2.961 10 5 EFBEHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000861347200 1302092024 /nfs/dbraw/zinc/09/20/24/1302092024.db2.gz HHOORPMJJAUPSM-GNOWRCIYSA-N 0 3 348.399 2.651 10 5 EFBEHN CC1(C)[C@@H](N)c2ccccc2N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000867990301 1304064009 /nfs/dbraw/zinc/06/40/09/1304064009.db2.gz MPMXQRDHSQZEKK-KRWDZBQOSA-N 0 3 325.368 2.963 10 5 EFBEHN CN1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000871153834 1305842167 /nfs/dbraw/zinc/84/21/67/1305842167.db2.gz NABWQMSLTHFKMN-UHFFFAOYSA-N 0 3 333.432 2.815 10 5 EFBEHN CC[C@@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC001230515621 1312251814 /nfs/dbraw/zinc/25/18/14/1312251814.db2.gz WRZWCLKIFYDPOC-IKGGRYGDSA-N 0 3 346.431 2.924 10 5 EFBEHN C[C@H](N[C@@H]1CCCN2CCSC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000903269701 1312525401 /nfs/dbraw/zinc/52/54/01/1312525401.db2.gz BCANERPNMCWZRP-LNSITVRQSA-N 0 3 339.436 2.964 10 5 EFBEHN CC[C@@H]1OCC[C@H]1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001263535449 1316548772 /nfs/dbraw/zinc/54/87/72/1316548772.db2.gz XSNWOZXPAOSABA-WAZAZEMKSA-N 0 3 325.336 2.890 10 5 EFBEHN CCN(CCCNC(=O)c1ccc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001265098650 1316720422 /nfs/dbraw/zinc/72/04/22/1316720422.db2.gz UKJGYDKVISADLU-UHFFFAOYSA-N 0 3 330.388 2.565 10 5 EFBEHN CCN1CCCC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001293327169 1322230359 /nfs/dbraw/zinc/23/03/59/1322230359.db2.gz CFMLZJGJNCXIMS-NSHDSACASA-N 0 3 343.786 2.992 10 5 EFBEHN CC(C)CN1CCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001295987708 1322836899 /nfs/dbraw/zinc/83/68/99/1322836899.db2.gz BQGPTASDWNAGNG-CQSZACIVSA-N 0 3 331.376 2.530 10 5 EFBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC001296127060 1322857048 /nfs/dbraw/zinc/85/70/48/1322857048.db2.gz MDJJEFUWEZANPO-ZDUSSCGKSA-N 0 3 335.404 2.596 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001303540497 1324609797 /nfs/dbraw/zinc/60/97/97/1324609797.db2.gz REXHRNHUWDGPEU-CQSZACIVSA-N 0 3 331.416 2.992 10 5 EFBEHN CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCC(CO)CC1 ZINC001307592806 1324773444 /nfs/dbraw/zinc/77/34/44/1324773444.db2.gz RADPEUJWWYTFLF-UHFFFAOYSA-N 0 3 346.387 2.628 10 5 EFBEHN CC(C)c1[nH]ccc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001317624426 1328205556 /nfs/dbraw/zinc/20/55/56/1328205556.db2.gz SBJSYWRVWCPAAN-UHFFFAOYSA-N 0 3 344.415 2.908 10 5 EFBEHN Cc1ccccc1CC(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001317658360 1328245713 /nfs/dbraw/zinc/24/57/13/1328245713.db2.gz SEUVGKNTPMLDDV-UHFFFAOYSA-N 0 3 341.411 2.694 10 5 EFBEHN C/C(=C\C(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001326571742 1330319667 /nfs/dbraw/zinc/31/96/67/1330319667.db2.gz AQUXSOQUPYHNNW-XDPMZMSMSA-N 0 3 343.427 2.941 10 5 EFBEHN CN(CCCN(C)C(=O)c1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC001327177864 1330437133 /nfs/dbraw/zinc/43/71/33/1330437133.db2.gz RHVQJGMIXNRFHH-UHFFFAOYSA-N 0 3 342.399 2.584 10 5 EFBEHN CN(CCCN(C)C(=O)C(C)(C)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001327175619 1330437178 /nfs/dbraw/zinc/43/71/78/1330437178.db2.gz BMIJNSQLHLSQHT-UHFFFAOYSA-N 0 3 325.384 2.623 10 5 EFBEHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001327555387 1330497485 /nfs/dbraw/zinc/49/74/85/1330497485.db2.gz HFXTXJJDLCPKQJ-GOSISDBHSA-N 0 3 349.406 2.692 10 5 EFBEHN COc1cc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1[O-] ZINC001333308272 1331111964 /nfs/dbraw/zinc/11/19/64/1331111964.db2.gz VGBNYURSHZDCLK-OUAUKWLOSA-N 0 3 328.315 2.832 10 5 EFBEHN O=[N+]([O-])c1ccn(C2CCN(CCSc3ccncc3)CC2)n1 ZINC001335957431 1331420375 /nfs/dbraw/zinc/42/03/75/1331420375.db2.gz AZWBMTXNMDLSOM-UHFFFAOYSA-N 0 3 333.417 2.616 10 5 EFBEHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001350245706 1333053166 /nfs/dbraw/zinc/05/31/66/1333053166.db2.gz KPKVQIVOZCZDOC-SJCJKPOMSA-N 0 3 340.383 2.916 10 5 EFBEHN CC(C)(C)N1CC[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001350387639 1333073099 /nfs/dbraw/zinc/07/30/99/1333073099.db2.gz SPIWHLVGBJTWOT-INIZCTEOSA-N 0 3 346.431 2.535 10 5 EFBEHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCCN1CCCCC1 ZINC001354581800 1334387791 /nfs/dbraw/zinc/38/77/91/1334387791.db2.gz XEVFRPIOUREYEA-UHFFFAOYSA-N 0 3 339.823 2.783 10 5 EFBEHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCC[C@H]1C1CC1 ZINC000848476337 1334735624 /nfs/dbraw/zinc/73/56/24/1334735624.db2.gz ABGRVJOSFRDANZ-IRXDYDNUSA-N 0 3 329.400 2.743 10 5 EFBEHN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN(CC1CC1)CC1CC1 ZINC000848478022 1334736013 /nfs/dbraw/zinc/73/60/13/1334736013.db2.gz ASWILZZZUKTFFY-GOSISDBHSA-N 0 3 343.427 2.990 10 5 EFBEHN CC(C)[C@@H]1CCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481973 1334738301 /nfs/dbraw/zinc/73/83/01/1334738301.db2.gz IVUAJHLYBZMSCH-WBVHZDCISA-N 0 3 331.416 2.846 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000848482665 1334740555 /nfs/dbraw/zinc/74/05/55/1334740555.db2.gz SSYGXKHNZDQUDB-PBHICJAKSA-N 0 3 342.399 2.917 10 5 EFBEHN C[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561652 1334796065 /nfs/dbraw/zinc/79/60/65/1334796065.db2.gz ASVDXEQNKYMRFU-UPJWGTAASA-N 0 3 341.839 2.836 10 5 EFBEHN CC1(C)C[C@@H](NC[C@H]2CN(C3CC3)C(=O)O2)c2cc([N+](=O)[O-])ccc21 ZINC000848569311 1334798840 /nfs/dbraw/zinc/79/88/40/1334798840.db2.gz DGBNRUXPLGQHAP-XJKSGUPXSA-N 0 3 345.399 2.890 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848578720 1334805449 /nfs/dbraw/zinc/80/54/49/1334805449.db2.gz ZSDLRTHVYPXIJG-FGLWMGOFSA-N 0 3 331.372 2.571 10 5 EFBEHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OCC2CCCC2)CC1 ZINC001459625640 1395971134 /nfs/dbraw/zinc/97/11/34/1395971134.db2.gz UDMSAPULCSAIJP-UHFFFAOYSA-N 0 3 336.436 2.771 10 5 EFBEHN Cc1cc(C(=O)N2CCN(C)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC001468220967 1396935202 /nfs/dbraw/zinc/93/52/02/1396935202.db2.gz CUDGCIYAIGSXGH-UHFFFAOYSA-N 0 3 331.416 2.994 10 5 EFBEHN CCOc1cc(CN2CC[C@@]3(C(=O)OC)CCC[C@@H]23)ccc1[N+](=O)[O-] ZINC001473776942 1397330585 /nfs/dbraw/zinc/33/05/85/1397330585.db2.gz BYLMHZQQXHQEHH-AEFFLSMTSA-N 0 3 348.399 2.911 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1[nH]c(C)cc1C ZINC001497419143 1401362542 /nfs/dbraw/zinc/36/25/42/1401362542.db2.gz UWOOQFQHCBXOEF-UHFFFAOYSA-N 0 3 344.415 2.792 10 5 EFBEHN C/C(=C/C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001497534396 1401440748 /nfs/dbraw/zinc/44/07/48/1401440748.db2.gz ATKVFXXVRCOQMC-OXRMAUJYSA-N 0 3 329.400 2.713 10 5 EFBEHN CC1(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)CC=CC1 ZINC001497675858 1401542006 /nfs/dbraw/zinc/54/20/06/1401542006.db2.gz UJUDXSSJTYXQGR-PLNGDYQASA-N 0 3 329.400 2.713 10 5 EFBEHN CC/C=C(/C)C(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001501209214 1403493651 /nfs/dbraw/zinc/49/36/51/1403493651.db2.gz WWXPTGWVHYIBEL-PLRRLCDQSA-N 0 3 343.427 2.841 10 5 EFBEHN O=C(Cc1ccco1)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001502010081 1403945492 /nfs/dbraw/zinc/94/54/92/1403945492.db2.gz DUJBKGMWBDJKOG-UHFFFAOYSA-N 0 3 343.383 2.559 10 5 EFBEHN CN(C)Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001557008645 1415101591 /nfs/dbraw/zinc/10/15/91/1415101591.db2.gz KPJGUJVEAIUGPR-UHFFFAOYSA-N 0 3 331.347 2.977 10 5 EFBEHN CCN1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001558527606 1415186161 /nfs/dbraw/zinc/18/61/61/1415186161.db2.gz RPXGSOBVQOWYBM-CQSZACIVSA-N 0 3 337.445 2.533 10 5 EFBEHN CC(C)(C)n1cncc1[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001560234659 1415269887 /nfs/dbraw/zinc/26/98/87/1415269887.db2.gz LPEBLBNOVJHCAQ-CQSZACIVSA-N 0 3 346.435 2.622 10 5 EFBEHN CC(C)(C)n1cncc1[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001560234658 1415269931 /nfs/dbraw/zinc/26/99/31/1415269931.db2.gz LPEBLBNOVJHCAQ-AWEZNQCLSA-N 0 3 346.435 2.622 10 5 EFBEHN CCCc1[nH]ccc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001567547681 1416182336 /nfs/dbraw/zinc/18/23/36/1416182336.db2.gz VNVHRLIVPJXZPP-UHFFFAOYSA-N 0 3 344.415 2.737 10 5 EFBEHN COc1ccsc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001567593396 1416201775 /nfs/dbraw/zinc/20/17/75/1416201775.db2.gz BPFULGJGRXFEBF-UHFFFAOYSA-N 0 3 349.412 2.527 10 5 EFBEHN C/C(=C/C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001713153274 1418341109 /nfs/dbraw/zinc/34/11/09/1418341109.db2.gz APYFESBUQCFZNI-VZTKWPLCSA-N 0 3 329.400 2.688 10 5 EFBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C12CCC(CC1)C2 ZINC001715833943 1418686276 /nfs/dbraw/zinc/68/62/76/1418686276.db2.gz LOAUNQZEHGOIAP-OWOJBTEDSA-N 0 3 343.427 2.937 10 5 EFBEHN CC/C=C(\C)C(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001717008451 1419145144 /nfs/dbraw/zinc/14/51/44/1419145144.db2.gz MFBJOSAERWOYSV-JYWGOBKKSA-N 0 3 343.427 2.841 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)Cc1cccs1 ZINC001722967629 1424389259 /nfs/dbraw/zinc/38/92/59/1424389259.db2.gz QWIHZPDGDVATQW-UHFFFAOYSA-N 0 3 347.440 2.837 10 5 EFBEHN CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccccc1[O-] ZINC001722978981 1424392119 /nfs/dbraw/zinc/39/21/19/1424392119.db2.gz RQBXXCKXMGABCQ-UHFFFAOYSA-N 0 3 349.412 2.614 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C1CC(F)(F)C1 ZINC001722998833 1424397139 /nfs/dbraw/zinc/39/71/39/1424397139.db2.gz PGNDRTUVAFXNGS-UHFFFAOYSA-N 0 3 341.358 2.578 10 5 EFBEHN Cc1cc(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])c(C)[nH]1 ZINC001723131770 1424431239 /nfs/dbraw/zinc/43/12/39/1424431239.db2.gz GTGDOPDNNJOMGN-UHFFFAOYSA-N 0 3 344.415 2.792 10 5 EFBEHN Cc1[nH]ccc1C(=O)N(C)CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001724849136 1425068358 /nfs/dbraw/zinc/06/83/58/1425068358.db2.gz ZRDOSQRPZWIBHL-UHFFFAOYSA-N 0 3 344.415 2.825 10 5 EFBEHN CCc1[nH]ccc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001731239286 1426347322 /nfs/dbraw/zinc/34/73/22/1426347322.db2.gz NTQVDQIWLCQJNQ-UHFFFAOYSA-N 0 3 344.415 2.737 10 5 EFBEHN CC(COC(=O)[C@H](C)Cc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813103367 713520910 /nfs/dbraw/zinc/52/09/10/713520910.db2.gz PNQIVSGFWUHTEQ-NXEZZACHSA-N 0 3 330.178 2.836 10 5 EFBEHN CC(COC(=O)CCc1ccc(Br)cc1F)[N+](=O)[O-] ZINC000813111511 713554818 /nfs/dbraw/zinc/55/48/18/713554818.db2.gz IPIOUUICXDUDCK-QMMMGPOBSA-N 0 3 334.141 2.729 10 5 EFBEHN COC(=O)/C=C\c1ccc(N2CCc3cnccc32)c([N+](=O)[O-])c1 ZINC000255503692 715467235 /nfs/dbraw/zinc/46/72/35/715467235.db2.gz NQOVPLYJNWPJKT-HYXAFXHYSA-N 0 3 325.324 2.870 10 5 EFBEHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928438774 722872143 /nfs/dbraw/zinc/87/21/43/722872143.db2.gz MPACFWRWIXDRHU-RISCZKNCSA-N 0 3 337.445 2.918 10 5 EFBEHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC2(CCNC(=O)O2)CC1 ZINC000897013981 723945196 /nfs/dbraw/zinc/94/51/96/723945196.db2.gz SRVKFVWVDHDUPU-SDNWHVSQSA-N 0 3 345.399 2.963 10 5 EFBEHN COc1cc(CN2CC[C@@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000895848562 724349393 /nfs/dbraw/zinc/34/93/93/724349393.db2.gz ZZGSQECGHDXDOL-IUODEOHRSA-N 0 3 336.388 2.613 10 5 EFBEHN O=[N+]([O-])c1cc2c(cc1CNCC1(C3(O)CCC3)CCC1)OCCO2 ZINC000895870654 724356667 /nfs/dbraw/zinc/35/66/67/724356667.db2.gz RHKCRNPOZQDLIG-UHFFFAOYSA-N 0 3 348.399 2.541 10 5 EFBEHN CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000912398707 727705760 /nfs/dbraw/zinc/70/57/60/727705760.db2.gz NCNNZSZXUIOTMP-NSHDSACASA-N 0 3 343.786 2.944 10 5 EFBEHN Cc1ccccc1[C@H](CO)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001648333355 1089986316 /nfs/dbraw/zinc/98/63/16/1089986316.db2.gz OZACKUMTBCAWPI-SFHVURJKSA-N 0 3 330.384 2.947 10 5 EFBEHN COc1ccc(C[C@H]2CCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001167635571 1093168983 /nfs/dbraw/zinc/16/89/83/1093168983.db2.gz NDLLNUSIZKKDHB-APWZRJJASA-N 0 3 342.395 2.954 10 5 EFBEHN CC(C)Oc1ccc([C@H](CNc2nn(C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC001651111631 1093528620 /nfs/dbraw/zinc/52/86/20/1093528620.db2.gz QXVDFTQKWCYUHQ-HNNXBMFYSA-N 0 3 347.419 2.830 10 5 EFBEHN Cc1cscc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001267361378 1094307031 /nfs/dbraw/zinc/30/70/31/1094307031.db2.gz YKKYDTNPDAKFLN-UHFFFAOYSA-N 0 3 333.413 2.827 10 5 EFBEHN Cc1cccc(CC(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001267421975 1094498355 /nfs/dbraw/zinc/49/83/55/1094498355.db2.gz XRHCBAMAWZWEHF-UHFFFAOYSA-N 0 3 341.411 2.694 10 5 EFBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c[nH]1 ZINC001268514242 1097111164 /nfs/dbraw/zinc/11/11/64/1097111164.db2.gz UNDVEUKBGGMMSZ-UPHRSURJSA-N 0 3 348.790 2.652 10 5 EFBEHN CC(C)N1CCC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001611178120 1098987799 /nfs/dbraw/zinc/98/77/99/1098987799.db2.gz PZOMVEYRQACGNI-LLVKDONJSA-N 0 3 343.786 2.990 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cncc(Cl)c1 ZINC001481291594 1099053362 /nfs/dbraw/zinc/05/33/62/1099053362.db2.gz KQMDANYZFSEBPE-UHFFFAOYSA-N 0 3 348.790 2.505 10 5 EFBEHN O=C(CN1CC[C@H](C2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001618677104 1099312030 /nfs/dbraw/zinc/31/20/30/1099312030.db2.gz NECOWUTVQAQXIH-INIZCTEOSA-N 0 3 343.427 2.996 10 5 EFBEHN C[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC001624970033 1099756391 /nfs/dbraw/zinc/75/63/91/1099756391.db2.gz NKLSDJDEZQCGIO-LLVKDONJSA-N 0 3 337.807 2.557 10 5 EFBEHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H](c1ccccc1)N(C)C ZINC001625652012 1099835525 /nfs/dbraw/zinc/83/55/25/1099835525.db2.gz RUBAKHSRVMZOJZ-PXAZEXFGSA-N 0 3 342.399 2.598 10 5 EFBEHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001626939519 1099938529 /nfs/dbraw/zinc/93/85/29/1099938529.db2.gz NWTRUDLSLDSBEX-ZDUSSCGKSA-N 0 3 335.379 2.789 10 5 EFBEHN CCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC001636070039 1100699128 /nfs/dbraw/zinc/69/91/28/1100699128.db2.gz QLIZLPMNNOGECN-UHFFFAOYSA-N 0 3 339.823 2.733 10 5 EFBEHN C[C@@H]1[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2Br)CCN1C ZINC001642491276 1101215981 /nfs/dbraw/zinc/21/59/81/1101215981.db2.gz OXYAZYQCFOLQMP-MNOVXSKESA-N 0 3 342.237 2.882 10 5 EFBEHN CN(C)Cc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001642609646 1101228015 /nfs/dbraw/zinc/22/80/15/1101228015.db2.gz YGIDRBWRNZRKGL-UHFFFAOYSA-N 0 3 346.362 2.846 10 5 EFBEHN Cc1ccccc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001266629820 1101568614 /nfs/dbraw/zinc/56/86/14/1101568614.db2.gz UBKJUYVMDZJYCY-UHFFFAOYSA-N 0 3 327.384 2.765 10 5 EFBEHN CN(CCCC(=O)OC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001655804846 1101892136 /nfs/dbraw/zinc/89/21/36/1101892136.db2.gz FAJJOVSQTBRGCF-OAHLLOKOSA-N 0 3 338.404 2.682 10 5 EFBEHN CC1(C)CCN(CCNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC001655939994 1101914092 /nfs/dbraw/zinc/91/40/92/1101914092.db2.gz KLQPLHHOMGJHRZ-UHFFFAOYSA-N 0 3 343.225 2.896 10 5 EFBEHN O=C(CC(F)(F)F)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001656122330 1101966660 /nfs/dbraw/zinc/96/66/60/1101966660.db2.gz JBWRTRUBMAPPNH-KLPPZKSPSA-N 0 3 345.321 2.532 10 5 EFBEHN O=C(CC(F)(F)F)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001656187830 1101992724 /nfs/dbraw/zinc/99/27/24/1101992724.db2.gz JBWRTRUBMAPPNH-UMSPYCQHSA-N 0 3 345.321 2.532 10 5 EFBEHN Cn1cc(CN2CCCC[C@@H]2Cc2ccc(O)cc2)c([N+](=O)[O-])n1 ZINC001656470172 1102102632 /nfs/dbraw/zinc/10/26/32/1102102632.db2.gz USNWSSCJTVBNPF-OAHLLOKOSA-N 0 3 330.388 2.631 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1([C@@H]2CCCO2)CCC1 ZINC001656524322 1102113660 /nfs/dbraw/zinc/11/36/60/1102113660.db2.gz VYZQVFUSTMDGJL-AWEZNQCLSA-N 0 3 333.388 2.533 10 5 EFBEHN O=C(/C=C\c1ccco1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001661560988 1103321443 /nfs/dbraw/zinc/32/14/43/1103321443.db2.gz AVIZVYJZIHDLGK-ZMWOBVFASA-N 0 3 341.367 2.638 10 5 EFBEHN C/C(=C/C(=O)N(C)CCCNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC001483454027 1103740162 /nfs/dbraw/zinc/74/01/62/1103740162.db2.gz KEXAMZSJSWOKRH-WQLSENKSSA-N 0 3 337.445 2.951 10 5 EFBEHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(C2CC2)C1 ZINC000906412977 1104197804 /nfs/dbraw/zinc/19/78/04/1104197804.db2.gz XKOUWVOLKQWPGV-GFCCVEGCSA-N 0 3 337.807 2.534 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1occc1Cl ZINC001664169767 1104304836 /nfs/dbraw/zinc/30/48/36/1104304836.db2.gz OHCYZYCCTZMVGL-UHFFFAOYSA-N 0 3 337.763 2.703 10 5 EFBEHN O=C(CCCF)N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1 ZINC001666303136 1104921697 /nfs/dbraw/zinc/92/16/97/1104921697.db2.gz ZUEWAPZSRGOZQW-JOCQHMNTSA-N 0 3 343.424 2.923 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CC(C)(F)F ZINC001482949246 1105244952 /nfs/dbraw/zinc/24/49/52/1105244952.db2.gz XVDISHHETVHOIX-UHFFFAOYSA-N 0 3 329.347 2.578 10 5 EFBEHN CC(C)(C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001669034417 1105422023 /nfs/dbraw/zinc/42/20/23/1105422023.db2.gz VBLWGUIQELXXKI-ONEGZZNKSA-N 0 3 341.358 2.648 10 5 EFBEHN CC(C)(C)/C=C/C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001482991451 1105493605 /nfs/dbraw/zinc/49/36/05/1105493605.db2.gz RHWKJTSNOSPKQJ-JWPKELMXSA-N 0 3 331.416 2.959 10 5 EFBEHN Cc1ccc(CC(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])o1 ZINC001670067488 1105576155 /nfs/dbraw/zinc/57/61/55/1105576155.db2.gz WDHLDKIBJKDAFR-UHFFFAOYSA-N 0 3 345.399 2.677 10 5 EFBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C1(C2CC2)CC1 ZINC001670133461 1105585449 /nfs/dbraw/zinc/58/54/49/1105585449.db2.gz BKFVBNDYCIZMEQ-UHFFFAOYSA-N 0 3 331.416 2.723 10 5 EFBEHN CC[C@@H]1COC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000699547961 1111548204 /nfs/dbraw/zinc/54/82/04/1111548204.db2.gz SCXDKLLOVYXOIZ-BXKDBHETSA-N 0 3 329.194 2.872 10 5 EFBEHN CC[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176699023 529494325 /nfs/dbraw/zinc/49/43/25/529494325.db2.gz XYGVWBQBZAUJCF-IRXDYDNUSA-N 0 3 344.415 2.702 10 5 EFBEHN CC[C@H](NCCC(=O)Nc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC000181530624 529594597 /nfs/dbraw/zinc/59/45/97/529594597.db2.gz TXUGQMJOEWIIHD-AWEZNQCLSA-N 0 3 332.360 2.961 10 5 EFBEHN CN(c1ncnc(Oc2ccccc2)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000040659742 213365464 /nfs/dbraw/zinc/36/54/64/213365464.db2.gz ADHCXNKKGPYUKC-UHFFFAOYSA-N 0 3 343.387 2.708 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000183309999 235001850 /nfs/dbraw/zinc/00/18/50/235001850.db2.gz SZDCTWADRCUXIT-HNNXBMFYSA-N 0 3 333.432 2.887 10 5 EFBEHN O=C([C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000353564680 296014520 /nfs/dbraw/zinc/01/45/20/296014520.db2.gz DJUBUSYGYQFYKA-ZGRWHYIRSA-N 0 3 343.427 2.942 10 5 EFBEHN CCCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037620399 213161693 /nfs/dbraw/zinc/16/16/93/213161693.db2.gz KBZPZTZKNQSTAM-SNVBAGLBSA-N 0 3 330.182 2.813 10 5 EFBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000236731289 242337941 /nfs/dbraw/zinc/33/79/41/242337941.db2.gz TUJOSWOSMGGQLL-KRWDZBQOSA-N 0 3 342.399 2.851 10 5 EFBEHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc3cncn3c2)n1 ZINC000414188232 244039142 /nfs/dbraw/zinc/03/91/42/244039142.db2.gz QHEKQOQEMNZLQK-HOTGVXAUSA-N 0 3 340.387 2.713 10 5 EFBEHN CCN1CCCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110992739 220089087 /nfs/dbraw/zinc/08/90/87/220089087.db2.gz OWWKRGXWBLBNDO-ZDUSSCGKSA-N 0 3 330.388 2.680 10 5 EFBEHN CCN1CCC[C@H]1CN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000092670772 218157370 /nfs/dbraw/zinc/15/73/70/218157370.db2.gz ILLVOJXXUQLLEL-NSHDSACASA-N 0 3 343.225 2.673 10 5 EFBEHN CN(Cc1cccnc1)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000095398328 218330607 /nfs/dbraw/zinc/33/06/07/218330607.db2.gz YLHPMHCIHOKPAI-INIZCTEOSA-N 0 3 341.415 2.733 10 5 EFBEHN CN(Cc1cccnc1)C[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000095398329 218330909 /nfs/dbraw/zinc/33/09/09/218330909.db2.gz YLHPMHCIHOKPAI-MRXNPFEDSA-N 0 3 341.415 2.733 10 5 EFBEHN C[C@@H]1OCC[C@H]1N(CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449679067 251114238 /nfs/dbraw/zinc/11/42/38/251114238.db2.gz QULGHDCWCNCCCC-XJKSGUPXSA-N 0 3 346.383 2.827 10 5 EFBEHN CN(C)CCN(CCCc1ccccc1)c1ccc([N+](=O)[O-])nc1 ZINC000450371769 251363156 /nfs/dbraw/zinc/36/31/56/251363156.db2.gz KDLPMTKYSCQXKV-UHFFFAOYSA-N 0 3 328.416 2.991 10 5 EFBEHN COc1ccc(OC)c([C@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000178565439 532984203 /nfs/dbraw/zinc/98/42/03/532984203.db2.gz LHCGMWZHAKWILW-YVEFUNNKSA-N 0 3 346.383 2.996 10 5 EFBEHN C[C@H]1CCCCN1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117756456 221086879 /nfs/dbraw/zinc/08/68/79/221086879.db2.gz GMILBGGMRMHLGW-LBPRGKRZSA-N 0 3 339.823 2.781 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119212737 221267751 /nfs/dbraw/zinc/26/77/51/221267751.db2.gz PWOPUFVANDRFCS-HNNXBMFYSA-N 0 3 344.415 2.561 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000344844769 533384189 /nfs/dbraw/zinc/38/41/89/533384189.db2.gz CHUXRPCQKVQMEI-OOLWCCMQSA-N 0 3 329.400 2.597 10 5 EFBEHN COc1ccc(CN2CCC[C@H]2Cn2ccnc2C)cc1[N+](=O)[O-] ZINC000178316218 533559462 /nfs/dbraw/zinc/55/94/62/533559462.db2.gz UBVLAEXZLIQQIH-HNNXBMFYSA-N 0 3 330.388 2.773 10 5 EFBEHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccsc1 ZINC000349316295 142320035 /nfs/dbraw/zinc/32/00/35/142320035.db2.gz WMVFENZSDYKOOJ-NHYWBVRUSA-N 0 3 349.412 2.697 10 5 EFBEHN O=C(CCN1CCC(c2ncc[nH]2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000342583583 145153516 /nfs/dbraw/zinc/15/35/16/145153516.db2.gz IAYYOYHNQUXJMS-UHFFFAOYSA-N 0 3 343.387 2.526 10 5 EFBEHN CCCN1CCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000352127704 146296337 /nfs/dbraw/zinc/29/63/37/146296337.db2.gz RIRUQKVHBLYHSW-QGZVFWFLSA-N 0 3 333.432 2.908 10 5 EFBEHN COC(=O)COc1ccc(CN2CCC[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000355606532 147011205 /nfs/dbraw/zinc/01/12/05/147011205.db2.gz LJOABALTMWBHJH-CYBMUJFWSA-N 0 3 336.388 2.769 10 5 EFBEHN CCNc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000356282256 147199362 /nfs/dbraw/zinc/19/93/62/147199362.db2.gz PPGODZIZBPHTOG-GXTWGEPZSA-N 0 3 334.420 2.581 10 5 EFBEHN Cc1nc(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000356785424 147335653 /nfs/dbraw/zinc/33/56/53/147335653.db2.gz NGQVXITYUAVZBO-SFHVURJKSA-N 0 3 337.383 2.943 10 5 EFBEHN Cc1n[nH]c(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000356785424 147335657 /nfs/dbraw/zinc/33/56/57/147335657.db2.gz NGQVXITYUAVZBO-SFHVURJKSA-N 0 3 337.383 2.943 10 5 EFBEHN COc1cc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000359635968 148146562 /nfs/dbraw/zinc/14/65/62/148146562.db2.gz OQSQAIBBBBMHGW-STQMWFEESA-N 0 3 349.431 2.905 10 5 EFBEHN O=[N+]([O-])c1cc(CNC[C@H](CO)Cc2ccc(F)c(F)c2)cs1 ZINC000359790723 148190405 /nfs/dbraw/zinc/19/04/05/148190405.db2.gz DCRIYYUZKRQUDM-LLVKDONJSA-N 0 3 342.367 2.875 10 5 EFBEHN O=[N+]([O-])c1ccccc1CNC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000359819920 148198356 /nfs/dbraw/zinc/19/83/56/148198356.db2.gz SLJGABDGLQMROU-ZDUSSCGKSA-N 0 3 336.338 2.814 10 5 EFBEHN O=[N+]([O-])c1ccccc1CNC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000359819919 148198507 /nfs/dbraw/zinc/19/85/07/148198507.db2.gz SLJGABDGLQMROU-CYBMUJFWSA-N 0 3 336.338 2.814 10 5 EFBEHN Cc1cc(F)ccc1[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373298223 151148755 /nfs/dbraw/zinc/14/87/55/151148755.db2.gz GQAXECCUUWJCGS-MRXNPFEDSA-N 0 3 348.378 2.609 10 5 EFBEHN COc1ccccc1[C@H]1CNCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000261804617 286518584 /nfs/dbraw/zinc/51/85/84/286518584.db2.gz RFGZCZOAARPOPZ-QGZVFWFLSA-N 0 3 345.374 2.889 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000123746051 222326141 /nfs/dbraw/zinc/32/61/41/222326141.db2.gz IEOQQJKOBVAWKI-WDEREUQCSA-N 0 3 325.796 2.803 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123490776 222285668 /nfs/dbraw/zinc/28/56/68/222285668.db2.gz CTXDEJQGMJVWLA-CYBMUJFWSA-N 0 3 342.399 2.747 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000123967662 222359791 /nfs/dbraw/zinc/35/97/91/222359791.db2.gz ODIJUXGRFMDPIS-DGCLKSJQSA-N 0 3 339.823 2.732 10 5 EFBEHN C[C@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000123967879 222359827 /nfs/dbraw/zinc/35/98/27/222359827.db2.gz ODIJUXGRFMDPIS-WCQYABFASA-N 0 3 339.823 2.732 10 5 EFBEHN COc1ccc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000272848391 266397302 /nfs/dbraw/zinc/39/73/02/266397302.db2.gz PWXFOASJNMPZJI-WCQYABFASA-N 0 3 336.392 2.550 10 5 EFBEHN COc1ccc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000272848390 266397357 /nfs/dbraw/zinc/39/73/57/266397357.db2.gz PWXFOASJNMPZJI-DGCLKSJQSA-N 0 3 336.392 2.550 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000276546056 267009987 /nfs/dbraw/zinc/00/99/87/267009987.db2.gz GTYUEHWEUZPIHA-JTQLQIEISA-N 0 3 325.796 2.769 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000247355633 273074507 /nfs/dbraw/zinc/07/45/07/273074507.db2.gz OGNYNRNUALONIR-SMDDNHRTSA-N 0 3 337.445 2.775 10 5 EFBEHN CCNC(=O)N1CC[C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279010561 273166272 /nfs/dbraw/zinc/16/62/72/273166272.db2.gz GXIOMGZUJZVCDB-LRDDRELGSA-N 0 3 346.431 2.711 10 5 EFBEHN COC(=O)CC1(NCc2cc(OC)c(F)cc2[N+](=O)[O-])CCCC1 ZINC000280289551 273311913 /nfs/dbraw/zinc/31/19/13/273311913.db2.gz FBPSFBYLHLQCSA-UHFFFAOYSA-N 0 3 340.351 2.708 10 5 EFBEHN C[C@H](NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000283485476 273721309 /nfs/dbraw/zinc/72/13/09/273721309.db2.gz XMNWSHSFVRTPKC-JLJPHGGASA-N 0 3 334.416 2.813 10 5 EFBEHN C[C@@H]1C[C@@H](C)[C@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000355791794 274385227 /nfs/dbraw/zinc/38/52/27/274385227.db2.gz ZVLZQLCXCWDRRO-MCIONIFRSA-N 0 3 331.416 2.850 10 5 EFBEHN CC(C)c1ccc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418121178 278036674 /nfs/dbraw/zinc/03/66/74/278036674.db2.gz WXWDESOBLATHEU-CABCVRRESA-N 0 3 335.448 2.605 10 5 EFBEHN COc1cnccc1N1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000338716563 278076658 /nfs/dbraw/zinc/07/66/58/278076658.db2.gz LLBHSOCJWOAQLC-UHFFFAOYSA-N 0 3 328.372 2.633 10 5 EFBEHN CC(=O)NCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180036595 278103136 /nfs/dbraw/zinc/10/31/36/278103136.db2.gz GNVZOIJATNWNJU-GOSISDBHSA-N 0 3 327.384 2.800 10 5 EFBEHN CCN1CCC[C@H]1CN(C)c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000175167317 279328497 /nfs/dbraw/zinc/32/84/97/279328497.db2.gz RURXFRIFLRSNKG-HNNXBMFYSA-N 0 3 348.447 2.654 10 5 EFBEHN CN1C[C@@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425275547 290281258 /nfs/dbraw/zinc/28/12/58/290281258.db2.gz ARHRQPGNIMVGQT-IINYFYTJSA-N 0 3 340.221 2.888 10 5 EFBEHN Cc1cc(Cc2noc(CC3CCN(C)CC3)n2)ccc1[N+](=O)[O-] ZINC000290217835 294029903 /nfs/dbraw/zinc/02/99/03/294029903.db2.gz ZGLKFEHOSGVJAX-UHFFFAOYSA-N 0 3 330.388 2.761 10 5 EFBEHN C[C@H](NC1CCC(CS(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000294700823 295211092 /nfs/dbraw/zinc/21/10/92/295211092.db2.gz IZGVYVQQFSZAQW-HSBZDZAISA-N 0 3 340.445 2.849 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000294782653 295226286 /nfs/dbraw/zinc/22/62/86/295226286.db2.gz LEPIUKGCVNKVSE-GOEBONIOSA-N 0 3 339.395 2.684 10 5 EFBEHN C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN(C2CC2)C1 ZINC000295301362 295296622 /nfs/dbraw/zinc/29/66/22/295296622.db2.gz JLYSCOAMUFMEHN-LBPRGKRZSA-N 0 3 342.399 2.632 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCN2CCC3(CCC(O)CC3)CC2)cc1 ZINC000295717903 295365477 /nfs/dbraw/zinc/36/54/77/295365477.db2.gz NVIHTVQKZJPWLU-UHFFFAOYSA-N 0 3 334.416 2.991 10 5 EFBEHN O=[N+]([O-])c1ccccc1OCCN1CCC2(CCC(O)CC2)CC1 ZINC000295808025 295379494 /nfs/dbraw/zinc/37/94/94/295379494.db2.gz WPKLUMMFBQSNEX-UHFFFAOYSA-N 0 3 334.416 2.991 10 5 EFBEHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCNC[C@H]1c1cccnc1 ZINC000261723121 304799549 /nfs/dbraw/zinc/79/95/49/304799549.db2.gz LHZOPGNNSVZFTJ-INIZCTEOSA-N 0 3 332.791 2.790 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000298740991 311019339 /nfs/dbraw/zinc/01/93/39/311019339.db2.gz JQHRIVYOBKQYSJ-XJKSGUPXSA-N 0 3 331.416 2.894 10 5 EFBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299002392 311040887 /nfs/dbraw/zinc/04/08/87/311040887.db2.gz QFAFNFCTPSABJH-ZDUSSCGKSA-N 0 3 333.413 2.559 10 5 EFBEHN C[C@@H]1CCCCN1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000299245064 311065000 /nfs/dbraw/zinc/06/50/00/311065000.db2.gz CHCHUPQBQKVZFY-GFCCVEGCSA-N 0 3 330.388 2.680 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000299569709 311098052 /nfs/dbraw/zinc/09/80/52/311098052.db2.gz CAYAAIMOPNPNIW-KRWDZBQOSA-N 0 3 327.384 2.936 10 5 EFBEHN COC(=O)/C=C/c1ccc(NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000301214389 311124945 /nfs/dbraw/zinc/12/49/45/311124945.db2.gz XGMAJHFZKSLSLE-IZPAUZPXSA-N 0 3 333.388 2.535 10 5 EFBEHN COC(=O)c1cc(NCCN2CCC(C)CC2)cc(C)c1[N+](=O)[O-] ZINC000301565124 311144816 /nfs/dbraw/zinc/14/48/16/311144816.db2.gz LRNCHAQEXSCOSP-UHFFFAOYSA-N 0 3 335.404 2.834 10 5 EFBEHN CC[C@H]1CCCCN1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301630851 311148694 /nfs/dbraw/zinc/14/86/94/311148694.db2.gz BKJWQXULLLFYJL-LBPRGKRZSA-N 0 3 348.403 2.602 10 5 EFBEHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000302169597 311182143 /nfs/dbraw/zinc/18/21/43/311182143.db2.gz TYZSWDVBPSKOGP-BXUZGUMPSA-N 0 3 333.417 2.941 10 5 EFBEHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1N[C@H]1CNCCC1(F)F ZINC000414997148 312074104 /nfs/dbraw/zinc/07/41/04/312074104.db2.gz HFDHAIOEUBIACW-NOLJZWGESA-N 0 3 339.386 2.893 10 5 EFBEHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415985085 312190852 /nfs/dbraw/zinc/19/08/52/312190852.db2.gz AOOFACNRTJACFI-UHFFFAOYSA-N 0 3 340.383 2.904 10 5 EFBEHN CC(C)(C)C1=CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000485351206 313327007 /nfs/dbraw/zinc/32/70/07/313327007.db2.gz UOCWSFULCNJCDB-UHFFFAOYSA-N 0 3 345.443 2.932 10 5 EFBEHN CCN1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C[C@H]1C ZINC000497515959 315393028 /nfs/dbraw/zinc/39/30/28/315393028.db2.gz PZAKNGRVWNYNDK-OLZOCXBDSA-N 0 3 335.404 2.609 10 5 EFBEHN Cc1cc(C(=O)N2CCc3ccccc3[C@H]2CN)ccc1[N+](=O)[O-] ZINC000520409465 315954216 /nfs/dbraw/zinc/95/42/16/315954216.db2.gz KTOAQZZUEVQNHZ-QGZVFWFLSA-N 0 3 325.368 2.602 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@H]2CN)c1 ZINC000520588132 315968875 /nfs/dbraw/zinc/96/88/75/315968875.db2.gz HRNREEYRGCPIIE-QGZVFWFLSA-N 0 3 325.368 2.602 10 5 EFBEHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532136972 317360342 /nfs/dbraw/zinc/36/03/42/317360342.db2.gz BWMGROANQYOIPP-HIFRSBDPSA-N 0 3 340.383 2.555 10 5 EFBEHN C[C@H](Cc1ccccc1)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000547845207 318048243 /nfs/dbraw/zinc/04/82/43/318048243.db2.gz KNGILDTVZDAGBB-MRXNPFEDSA-N 0 3 340.427 2.991 10 5 EFBEHN CS[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000548691775 318133048 /nfs/dbraw/zinc/13/30/48/318133048.db2.gz PMFUIMLTVVWWCL-ZIAGYGMSSA-N 0 3 336.461 2.623 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000558716451 318489119 /nfs/dbraw/zinc/48/91/19/318489119.db2.gz MKQBGDRNKAYVJJ-CYBMUJFWSA-N 0 3 337.807 2.867 10 5 EFBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000568636078 319303991 /nfs/dbraw/zinc/30/39/91/319303991.db2.gz YLFATZXILPVEDE-LOSYYMKXSA-N 0 3 336.432 2.746 10 5 EFBEHN NC[C@@H]1c2ccccc2CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000568866201 319325549 /nfs/dbraw/zinc/32/55/49/319325549.db2.gz KABSBGHEZMCLDG-QGZVFWFLSA-N 0 3 327.384 2.532 10 5 EFBEHN C[C@@H]1Cc2ccccc2[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569110488 319349340 /nfs/dbraw/zinc/34/93/40/319349340.db2.gz GQVJTLOPINNRDZ-WTANOLMUSA-N 0 3 342.395 2.858 10 5 EFBEHN C[C@H]1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000570956515 319529452 /nfs/dbraw/zinc/52/94/52/319529452.db2.gz SFZQWQDOEMUGJY-KBPBESRZSA-N 0 3 340.445 2.927 10 5 EFBEHN C[C@H](C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184199789 323358898 /nfs/dbraw/zinc/35/88/98/323358898.db2.gz IUUYYJKWGQFDOS-AVGNSLFASA-N 0 3 337.395 2.779 10 5 EFBEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185013502 323379911 /nfs/dbraw/zinc/37/99/11/323379911.db2.gz BJWMLCLTFDAHFR-OLZOCXBDSA-N 0 3 339.411 2.930 10 5 EFBEHN CC[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N(CC)CC ZINC000579664917 324003226 /nfs/dbraw/zinc/00/32/26/324003226.db2.gz UAWCTJBOEFJBDZ-KRWDZBQOSA-N 0 3 346.431 2.855 10 5 EFBEHN Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2CN)cc1[N+](=O)[O-] ZINC000580313560 324139143 /nfs/dbraw/zinc/13/91/43/324139143.db2.gz KKTYEIXPWHNREY-KRWDZBQOSA-N 0 3 325.368 2.602 10 5 EFBEHN Cc1c(CC(=O)N2CCc3ccccc3[C@H]2CN)cccc1[N+](=O)[O-] ZINC000580448589 324167064 /nfs/dbraw/zinc/16/70/64/324167064.db2.gz OUSIMLXNOGDRMT-GOSISDBHSA-N 0 3 339.395 2.530 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCNC[C@@H]2C(F)F)o1 ZINC000580952662 324273968 /nfs/dbraw/zinc/27/39/68/324273968.db2.gz ONFKSQOGGMBIKJ-CQSZACIVSA-N 0 3 337.326 2.894 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000582677315 324647905 /nfs/dbraw/zinc/64/79/05/324647905.db2.gz QBAXAKCQHXTZDN-MRXNPFEDSA-N 0 3 331.416 2.640 10 5 EFBEHN Cc1ccnc(N2CC[C@H](CN(C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190446488 473278045 /nfs/dbraw/zinc/27/80/45/473278045.db2.gz RZTUJSGSUZOMDT-MRXNPFEDSA-N 0 3 341.415 2.652 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000176976380 473279405 /nfs/dbraw/zinc/27/94/05/473279405.db2.gz YJCSAPSDFYSSGH-ZDUSSCGKSA-N 0 3 337.445 2.873 10 5 EFBEHN Cc1sc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000148553137 473319372 /nfs/dbraw/zinc/31/93/72/473319372.db2.gz STOPUYSJJWXTGO-QWRGUYRKSA-N 0 3 325.434 2.815 10 5 EFBEHN C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000162237682 473320388 /nfs/dbraw/zinc/32/03/88/473320388.db2.gz OIZZYBLSENKOLB-ONGXEEELSA-N 0 3 329.194 2.872 10 5 EFBEHN CN1CC[C@@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000424195185 477324781 /nfs/dbraw/zinc/32/47/81/477324781.db2.gz XTSGBZMSALNESA-CYBMUJFWSA-N 0 3 343.383 2.813 10 5 EFBEHN CN(C)CCOc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000053993157 472048570 /nfs/dbraw/zinc/04/85/70/472048570.db2.gz GPELTNWFSDEQMP-UHFFFAOYSA-N 0 3 349.412 2.527 10 5 EFBEHN COc1ccc(NC(=O)CCN(C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000041887942 472093950 /nfs/dbraw/zinc/09/39/50/472093950.db2.gz SQMJQPICMYKNNU-UHFFFAOYSA-N 0 3 347.371 2.965 10 5 EFBEHN CN(C)CCNC(=O)c1cccc2nc3ccc4ccncc4c3nc21 ZINC000027858325 472199131 /nfs/dbraw/zinc/19/91/31/472199131.db2.gz UCRPUMRIVOVBSH-UHFFFAOYSA-N 0 3 345.406 2.623 10 5 EFBEHN Cc1ccc([C@@H]2C[C@@H](C)CCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000076120798 472279052 /nfs/dbraw/zinc/27/90/52/472279052.db2.gz AZSBLVYDBJHZPL-RCBQFDQVSA-N 0 3 348.403 2.527 10 5 EFBEHN C[C@H]1CCCCN1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000076776166 472401375 /nfs/dbraw/zinc/40/13/75/472401375.db2.gz KTRKNRARXRBVKC-ZDUSSCGKSA-N 0 3 346.431 2.773 10 5 EFBEHN CN(C)C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000128250624 472424493 /nfs/dbraw/zinc/42/44/93/472424493.db2.gz WMNJDUWGQFAKSA-QGZVFWFLSA-N 0 3 345.399 2.617 10 5 EFBEHN O=[N+]([O-])c1cnc(NCC2CCN(Cc3ccccc3F)CC2)nc1 ZINC000097137294 472458334 /nfs/dbraw/zinc/45/83/34/472458334.db2.gz FEBNNTVLLYRTBZ-UHFFFAOYSA-N 0 3 345.378 2.848 10 5 EFBEHN CN(C)C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000129133969 472524891 /nfs/dbraw/zinc/52/48/91/472524891.db2.gz DQGYAHLBQLOYSM-QGZVFWFLSA-N 0 3 342.399 2.697 10 5 EFBEHN CC(C)CC[C@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000077455924 472530106 /nfs/dbraw/zinc/53/01/06/472530106.db2.gz YDYWHTBPGDWWFM-KRWDZBQOSA-N 0 3 338.404 2.643 10 5 EFBEHN Cn1cc(CCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC000102423718 472577580 /nfs/dbraw/zinc/57/75/80/472577580.db2.gz GHZZTLDAKDTDJL-UHFFFAOYSA-N 0 3 326.356 2.921 10 5 EFBEHN C[C@H]1CCCN(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000119887459 472597496 /nfs/dbraw/zinc/59/74/96/472597496.db2.gz KFKSUOLLWJFWGR-LBPRGKRZSA-N 0 3 330.388 2.538 10 5 EFBEHN Cc1ccc(C[C@@H](C)N(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090550091 472633894 /nfs/dbraw/zinc/63/38/94/472633894.db2.gz HKQGUPFRSAPANI-OAHLLOKOSA-N 0 3 329.400 2.628 10 5 EFBEHN C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(C)CC1 ZINC000155985577 472651526 /nfs/dbraw/zinc/65/15/26/472651526.db2.gz MYSYTNSJLAQZAN-CYBMUJFWSA-N 0 3 344.415 2.926 10 5 EFBEHN CN(C)C[C@@H]1CCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104413520 472671139 /nfs/dbraw/zinc/67/11/39/472671139.db2.gz PLDPQRZZTZLOAF-ZDUSSCGKSA-N 0 3 330.388 2.632 10 5 EFBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000132247053 472723408 /nfs/dbraw/zinc/72/34/08/472723408.db2.gz DWOJPCDDRGTOJT-AWEZNQCLSA-N 0 3 345.374 2.637 10 5 EFBEHN CCN1CCC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000120977570 472778279 /nfs/dbraw/zinc/77/82/79/472778279.db2.gz SWRSRRSHBUJKEI-OAHLLOKOSA-N 0 3 346.431 2.753 10 5 EFBEHN COC(=O)/C=C/c1ccc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133533743 472815372 /nfs/dbraw/zinc/81/53/72/472815372.db2.gz OJVWFEQSXABDOP-BILJCIPTSA-N 0 3 345.399 2.818 10 5 EFBEHN Cc1ccc(CN2CCC(N3CCO[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092079178 472854879 /nfs/dbraw/zinc/85/48/79/472854879.db2.gz GJKBFJZFILRQTP-HNNXBMFYSA-N 0 3 333.432 2.588 10 5 EFBEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000159588585 473041786 /nfs/dbraw/zinc/04/17/86/473041786.db2.gz SZUMGPORBXPOFH-CHWSQXEVSA-N 0 3 343.383 2.941 10 5 EFBEHN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccco1)C1CCCC1 ZINC000159760601 473058028 /nfs/dbraw/zinc/05/80/28/473058028.db2.gz KTJAKLHDJLSPOR-UHFFFAOYSA-N 0 3 331.372 2.794 10 5 EFBEHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1C ZINC000123464092 473143311 /nfs/dbraw/zinc/14/33/11/473143311.db2.gz APKLWHRINAJVCI-ZWNOBZJWSA-N 0 3 325.796 2.803 10 5 EFBEHN CCN1CCC[C@H]1CN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177702976 473419437 /nfs/dbraw/zinc/41/94/37/473419437.db2.gz YAGXEXPPTOCTBV-HNNXBMFYSA-N 0 3 345.403 2.561 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000177706623 473420742 /nfs/dbraw/zinc/42/07/42/473420742.db2.gz USRKBEHFKYTOQG-LSDHHAIUSA-N 0 3 348.447 2.646 10 5 EFBEHN CN(C)C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000151844450 473499445 /nfs/dbraw/zinc/49/94/45/473499445.db2.gz KRARMQPDRXEKPC-GOSISDBHSA-N 0 3 341.411 2.947 10 5 EFBEHN CN(C)C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000151844373 473499461 /nfs/dbraw/zinc/49/94/61/473499461.db2.gz KRARMQPDRXEKPC-SFHVURJKSA-N 0 3 341.411 2.947 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000165667392 473514536 /nfs/dbraw/zinc/51/45/36/473514536.db2.gz UWVPYXGRHHQQHS-INIZCTEOSA-N 0 3 333.432 2.984 10 5 EFBEHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152239411 473539469 /nfs/dbraw/zinc/53/94/69/473539469.db2.gz VESIURFVZCCBOB-SFHVURJKSA-N 0 3 343.383 2.912 10 5 EFBEHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000152496681 473569890 /nfs/dbraw/zinc/56/98/90/473569890.db2.gz ZTXFZOAJWZHBAY-OAHLLOKOSA-N 0 3 341.415 2.943 10 5 EFBEHN CSc1cccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000186571266 473692168 /nfs/dbraw/zinc/69/21/68/473692168.db2.gz OLJDTQSLYIEVGM-VXGBXAGGSA-N 0 3 337.445 2.871 10 5 EFBEHN CN1CC[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000192766096 473721987 /nfs/dbraw/zinc/72/19/87/473721987.db2.gz GFHSFFFAEQDJFH-WBVHZDCISA-N 0 3 340.383 2.551 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186671573 473722229 /nfs/dbraw/zinc/72/22/29/473722229.db2.gz KVUYRDLIMROORK-LBPRGKRZSA-N 0 3 337.445 2.873 10 5 EFBEHN CC(C)c1nnc2n1C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173369290 473817449 /nfs/dbraw/zinc/81/74/49/473817449.db2.gz GNJFJOQTHWPMBO-GXTWGEPZSA-N 0 3 329.404 2.975 10 5 EFBEHN C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173444481 473840780 /nfs/dbraw/zinc/84/07/80/473840780.db2.gz RSTOWQFFSIGCJM-ZFWWWQNUSA-N 0 3 329.404 2.648 10 5 EFBEHN C[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173444496 473841319 /nfs/dbraw/zinc/84/13/19/473841319.db2.gz RSTOWQFFSIGCJM-HIFRSBDPSA-N 0 3 329.404 2.648 10 5 EFBEHN CN(C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269687589 473861428 /nfs/dbraw/zinc/86/14/28/473861428.db2.gz PDJZVUDIFUKLGD-GFCCVEGCSA-N 0 3 345.321 2.780 10 5 EFBEHN Cc1ccc(OC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180414956 473872463 /nfs/dbraw/zinc/87/24/63/473872463.db2.gz ORCUYEBEJQHFHU-WMLDXEAASA-N 0 3 330.384 2.994 10 5 EFBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246512973 473888070 /nfs/dbraw/zinc/88/80/70/473888070.db2.gz GTZBFYKVRRLKSY-STQMWFEESA-N 0 3 337.807 2.947 10 5 EFBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000246557285 473901220 /nfs/dbraw/zinc/90/12/20/473901220.db2.gz WJNYBVKVXMYILK-ZYHUDNBSSA-N 0 3 325.796 2.707 10 5 EFBEHN CN(C)C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000263939865 473912390 /nfs/dbraw/zinc/91/23/90/473912390.db2.gz PPAGCAVUJOUYBW-LLVKDONJSA-N 0 3 326.784 2.806 10 5 EFBEHN CCOc1ccc(C(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000187995890 473952908 /nfs/dbraw/zinc/95/29/08/473952908.db2.gz BLYSFLVQAASDAJ-UHFFFAOYSA-N 0 3 335.404 2.550 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188124823 473992753 /nfs/dbraw/zinc/99/27/53/473992753.db2.gz YGLYIYWQUWMXEM-YOEHRIQHSA-N 0 3 348.424 2.743 10 5 EFBEHN CC[C@@H](NC[C@H](O)COCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000181561107 474048624 /nfs/dbraw/zinc/04/86/24/474048624.db2.gz ICLIGAXIKDRREG-DOTOQJQBSA-N 0 3 334.372 2.806 10 5 EFBEHN Cc1c(CN2CCCC[C@H](N3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000174877645 474111513 /nfs/dbraw/zinc/11/15/13/474111513.db2.gz SHBQCOXNVCCDTE-SFHVURJKSA-N 0 3 346.475 2.505 10 5 EFBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247300814 474112884 /nfs/dbraw/zinc/11/28/84/474112884.db2.gz LKKAYALMRMXFHP-GXFFZTMASA-N 0 3 325.796 2.707 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000175010852 474131588 /nfs/dbraw/zinc/13/15/88/474131588.db2.gz QOZBWMXXTSWWAN-HNNXBMFYSA-N 0 3 349.431 2.615 10 5 EFBEHN CCOc1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2CC)cc1[N+](=O)[O-] ZINC000175042152 474136590 /nfs/dbraw/zinc/13/65/90/474136590.db2.gz MHEASXCMXGIACK-HUUCEWRRSA-N 0 3 347.415 2.692 10 5 EFBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247441208 474147998 /nfs/dbraw/zinc/14/79/98/474147998.db2.gz RZWFGHKSOVXXJF-IINYFYTJSA-N 0 3 325.796 2.707 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000247467229 474153819 /nfs/dbraw/zinc/15/38/19/474153819.db2.gz RIYRGDKRQRKRFH-NEPJUHHUSA-N 0 3 335.429 2.625 10 5 EFBEHN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)CNC3)c1 ZINC000188676055 474164059 /nfs/dbraw/zinc/16/40/59/474164059.db2.gz GFPARNJCNFYJSQ-UHFFFAOYSA-N 0 3 343.408 2.850 10 5 EFBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265017036 474164220 /nfs/dbraw/zinc/16/42/20/474164220.db2.gz XULFHWKFMQCHCR-BXUZGUMPSA-N 0 3 329.356 2.650 10 5 EFBEHN CN1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248047684 474251463 /nfs/dbraw/zinc/25/14/63/474251463.db2.gz NFXFFHXFAODNOV-VQIMIIECSA-N 0 3 339.395 2.699 10 5 EFBEHN CC[C@@H](NC(=O)N[C@@H]1CCCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000175953889 474347760 /nfs/dbraw/zinc/34/77/60/474347760.db2.gz YNPYAAKUFJMRNH-GDBMZVCRSA-N 0 3 334.420 2.829 10 5 EFBEHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000183224080 474353562 /nfs/dbraw/zinc/35/35/62/474353562.db2.gz GGLNLFWYYGSWQF-BFVZDQMLSA-N 0 3 341.795 2.732 10 5 EFBEHN COC(=O)[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000271056826 474388904 /nfs/dbraw/zinc/38/89/04/474388904.db2.gz ARTWVUISULVJIQ-ZDUSSCGKSA-N 0 3 330.340 2.850 10 5 EFBEHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000271056825 474388943 /nfs/dbraw/zinc/38/89/43/474388943.db2.gz ARTWVUISULVJIQ-CYBMUJFWSA-N 0 3 330.340 2.850 10 5 EFBEHN Cc1sc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271068673 474394438 /nfs/dbraw/zinc/39/44/38/474394438.db2.gz XRJUUGCLDSERRG-SNVBAGLBSA-N 0 3 325.434 2.767 10 5 EFBEHN COc1ccccc1CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176225769 474415670 /nfs/dbraw/zinc/41/56/70/474415670.db2.gz AIPUXIBRQWKBDH-UHFFFAOYSA-N 0 3 344.415 2.755 10 5 EFBEHN CC[C@@H](NC(=O)NC[C@H]1CCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000176317191 474438115 /nfs/dbraw/zinc/43/81/15/474438115.db2.gz KERKIAVSPRILCG-HZPDHXFCSA-N 0 3 334.420 2.829 10 5 EFBEHN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000176737379 474522860 /nfs/dbraw/zinc/52/28/60/474522860.db2.gz OEQJPELUGQYTFJ-GDBMZVCRSA-N 0 3 344.415 2.620 10 5 EFBEHN CSc1cccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000249112139 474529248 /nfs/dbraw/zinc/52/92/48/474529248.db2.gz BULLGCQQHRQPKM-DGCLKSJQSA-N 0 3 337.445 2.775 10 5 EFBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000249627383 474600707 /nfs/dbraw/zinc/60/07/07/474600707.db2.gz QISSFRRUYKOQCL-GJZGRUSLSA-N 0 3 347.415 2.611 10 5 EFBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000184763964 474602531 /nfs/dbraw/zinc/60/25/31/474602531.db2.gz RAMCVHHZOMEUCF-HZPDHXFCSA-N 0 3 333.432 2.764 10 5 EFBEHN O=[N+]([O-])c1cnccc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000340841738 474708518 /nfs/dbraw/zinc/70/85/18/474708518.db2.gz AHKSEGAWIXBENO-UHFFFAOYSA-N 0 3 344.337 2.629 10 5 EFBEHN CN1CCN(CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1(C)C ZINC000291920342 474751980 /nfs/dbraw/zinc/75/19/80/474751980.db2.gz LPBMGJFOMOPJPV-UHFFFAOYSA-N 0 3 343.431 2.581 10 5 EFBEHN CC[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000255234076 474825153 /nfs/dbraw/zinc/82/51/53/474825153.db2.gz XAUFESRYYZCGFX-QLBOMPFWSA-N 0 3 333.432 2.651 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000273440843 474898593 /nfs/dbraw/zinc/89/85/93/474898593.db2.gz RCLJSCHLOGPEPR-JIIJFUIFSA-N 0 3 349.456 2.552 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000278895055 474899989 /nfs/dbraw/zinc/89/99/89/474899989.db2.gz ZTQZRCAXWSJKFR-NSHDSACASA-N 0 3 337.807 2.937 10 5 EFBEHN CCOc1ccc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000341071895 474942997 /nfs/dbraw/zinc/94/29/97/474942997.db2.gz SDNVSSGLGYBGQJ-ZIAGYGMSSA-N 0 3 349.431 2.986 10 5 EFBEHN COc1ccc(CNC2CCN(C(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000609287607 480138797 /nfs/dbraw/zinc/13/87/97/480138797.db2.gz CKTPGKWANWKSOG-UHFFFAOYSA-N 0 3 349.431 2.730 10 5 EFBEHN CCN1CC[C@H]2OCCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000292819135 475208203 /nfs/dbraw/zinc/20/82/03/475208203.db2.gz OVXYWVTUXYHSCX-LSDHHAIUSA-N 0 3 325.796 2.548 10 5 EFBEHN C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296507698 475348362 /nfs/dbraw/zinc/34/83/62/475348362.db2.gz YJYDXHOXDNNPRP-KBPBESRZSA-N 0 3 334.420 2.829 10 5 EFBEHN C[C@@H]1C[C@@H]1N1C[C@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000358172138 475457947 /nfs/dbraw/zinc/45/79/47/475457947.db2.gz IEUCMCVHFWYPAA-ANRZDRKOSA-N 0 3 343.427 2.515 10 5 EFBEHN C[C@@H]1[C@@H](C(F)(F)F)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348249294 475523354 /nfs/dbraw/zinc/52/33/54/475523354.db2.gz WJNDHSSIFDROMD-OSMZGAPFSA-N 0 3 348.321 2.607 10 5 EFBEHN COc1cc(CN2CC[C@@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000361592037 475578195 /nfs/dbraw/zinc/57/81/95/475578195.db2.gz UYKCFROQNCSBIE-LJQANCHMSA-N 0 3 342.395 2.739 10 5 EFBEHN COc1cccc(N2CC[C@@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000340024418 475694477 /nfs/dbraw/zinc/69/44/77/475694477.db2.gz ZIVVJGLNQQERGX-OAHLLOKOSA-N 0 3 349.431 2.685 10 5 EFBEHN O=[N+]([O-])c1cc(CN2CCC[C@H]([C@@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000355207481 475743824 /nfs/dbraw/zinc/74/38/24/475743824.db2.gz OCUFMGPFEZZYKO-UONOGXRCSA-N 0 3 348.399 2.710 10 5 EFBEHN O=[N+]([O-])c1cc(CN2CCC[C@@H]([C@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000355207476 475744163 /nfs/dbraw/zinc/74/41/63/475744163.db2.gz OCUFMGPFEZZYKO-KGLIPLIRSA-N 0 3 348.399 2.710 10 5 EFBEHN CCN1CCN(c2ccc(Nc3ccncc3[N+](=O)[O-])c(C)c2)CC1 ZINC000340150701 475803522 /nfs/dbraw/zinc/80/35/22/475803522.db2.gz BDPMOGIBCJBZBR-UHFFFAOYSA-N 0 3 341.415 2.606 10 5 EFBEHN Cc1ccc([C@@H](CNc2ccncc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000340152349 475804909 /nfs/dbraw/zinc/80/49/09/475804909.db2.gz KQOHQIJRZYXKIM-QGZVFWFLSA-N 0 3 326.400 2.969 10 5 EFBEHN CCCCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000338425091 475892539 /nfs/dbraw/zinc/89/25/39/475892539.db2.gz PSYGSQSCURXOOL-AWEZNQCLSA-N 0 3 334.420 2.683 10 5 EFBEHN CCN1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000343265792 475904289 /nfs/dbraw/zinc/90/42/89/475904289.db2.gz CEAZCTHUWDVFIL-CQSZACIVSA-N 0 3 341.415 2.891 10 5 EFBEHN CS[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000362016275 475938677 /nfs/dbraw/zinc/93/86/77/475938677.db2.gz PKXUPCJFGFNJIL-QWHCGFSZSA-N 0 3 327.475 2.668 10 5 EFBEHN C[C@@]12CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000298221694 476024465 /nfs/dbraw/zinc/02/44/65/476024465.db2.gz GDGPAVDGLYIWKR-DZGCQCFKSA-N 0 3 339.342 2.901 10 5 EFBEHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340515405 476078882 /nfs/dbraw/zinc/07/88/82/476078882.db2.gz CZFWIKDVNQRMAS-UHFFFAOYSA-N 0 3 342.399 2.839 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]2COCC[C@@H]21 ZINC000362455718 476264995 /nfs/dbraw/zinc/26/49/95/476264995.db2.gz SWRFIHNZZOXZSK-YOEHRIQHSA-N 0 3 347.415 2.733 10 5 EFBEHN COc1ccc(-c2ccc(CN[C@@H](C)[C@@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000304324664 476278565 /nfs/dbraw/zinc/27/85/65/476278565.db2.gz UYLRAFSCYPBYOD-RYUDHWBXSA-N 0 3 334.372 2.970 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000360666893 476334449 /nfs/dbraw/zinc/33/44/49/476334449.db2.gz SBZHPBWZLNXMQV-MAUKXSAKSA-N 0 3 345.443 2.859 10 5 EFBEHN C[C@@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000361003113 476537473 /nfs/dbraw/zinc/53/74/73/476537473.db2.gz RQKHRWZWBXQOJV-GDBMZVCRSA-N 0 3 326.400 2.877 10 5 EFBEHN CCN1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000354424300 476654130 /nfs/dbraw/zinc/65/41/30/476654130.db2.gz IYDKRBNVRNMNTP-CMPLNLGQSA-N 0 3 325.434 2.910 10 5 EFBEHN O=[N+]([O-])c1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000391066683 476810093 /nfs/dbraw/zinc/81/00/93/476810093.db2.gz NPQZRZSEUWICSS-KRWDZBQOSA-N 0 3 342.399 2.693 10 5 EFBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375465230 476852202 /nfs/dbraw/zinc/85/22/02/476852202.db2.gz HSAWRHCARSSYKY-CYBMUJFWSA-N 0 3 344.371 2.724 10 5 EFBEHN Cn1cnc([N+](=O)[O-])c1NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398004894 476865446 /nfs/dbraw/zinc/86/54/46/476865446.db2.gz XIGCLRKIQCKRJG-QGZVFWFLSA-N 0 3 329.404 2.795 10 5 EFBEHN Cc1cc(N2CCC[C@H](NCc3ccc([N+](=O)[O-])cc3C)C2)n(C)n1 ZINC000375522778 476879803 /nfs/dbraw/zinc/87/98/03/476879803.db2.gz MYYXDKTWCOAEBX-INIZCTEOSA-N 0 3 343.431 2.704 10 5 EFBEHN CC(C)n1ccc(C[C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000446849118 476926513 /nfs/dbraw/zinc/92/65/13/476926513.db2.gz LWNYOFVFGYUAJH-GFCCVEGCSA-N 0 3 342.403 2.969 10 5 EFBEHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CCCN(c2ccncn2)C1 ZINC000370768180 476977570 /nfs/dbraw/zinc/97/75/70/476977570.db2.gz RLCQNDNQPWFFLE-GIZXNFQBSA-N 0 3 339.399 2.657 10 5 EFBEHN CN(C)c1ncccc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447542514 477009422 /nfs/dbraw/zinc/00/94/22/477009422.db2.gz JJQXMBNWFFTKBD-CABCVRRESA-N 0 3 344.419 2.526 10 5 EFBEHN CCOc1ccc(C(=O)N(C)C(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000416090859 477014051 /nfs/dbraw/zinc/01/40/51/477014051.db2.gz FEDGMAYVVCBZRF-UHFFFAOYSA-N 0 3 349.431 2.940 10 5 EFBEHN CN(C)CCOCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000447590834 477018696 /nfs/dbraw/zinc/01/86/96/477018696.db2.gz FSNKFIJILKMUQP-IBGZPJMESA-N 0 3 343.427 2.852 10 5 EFBEHN CCOc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000375900184 477071005 /nfs/dbraw/zinc/07/10/05/477071005.db2.gz GNOWFGATXHFLRI-UKRRQHHQSA-N 0 3 347.415 2.692 10 5 EFBEHN CC(C)Oc1cc(C(=O)NCCN2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411415901 477226354 /nfs/dbraw/zinc/22/63/54/477226354.db2.gz NXMFNCJVCXWMRQ-AWEZNQCLSA-N 0 3 349.431 2.986 10 5 EFBEHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000411462152 477243852 /nfs/dbraw/zinc/24/38/52/477243852.db2.gz XLAZPPQCDBKXOS-KRWDZBQOSA-N 0 3 343.383 2.901 10 5 EFBEHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CCN(c2cnccn2)CC1 ZINC000367217921 477399885 /nfs/dbraw/zinc/39/98/85/477399885.db2.gz CVSKDYDQEHFMKE-UHFFFAOYSA-N 0 3 345.378 2.625 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(O)Cc2ccccc2C1 ZINC000371700720 477452717 /nfs/dbraw/zinc/45/27/17/477452717.db2.gz KAPZPUZCODACRY-UHFFFAOYSA-N 0 3 342.395 2.613 10 5 EFBEHN COCCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413114513 477526257 /nfs/dbraw/zinc/52/62/57/477526257.db2.gz DVLFADPFOGGFAS-JTQLQIEISA-N 0 3 348.325 2.531 10 5 EFBEHN CC(C)c1ccc(CNC[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000449394983 477562599 /nfs/dbraw/zinc/56/25/99/477562599.db2.gz OVVPWZWHTKKZAG-MRXNPFEDSA-N 0 3 335.448 2.655 10 5 EFBEHN CC(C)c1ccc(CNC[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000449394982 477563143 /nfs/dbraw/zinc/56/31/43/477563143.db2.gz OVVPWZWHTKKZAG-INIZCTEOSA-N 0 3 335.448 2.655 10 5 EFBEHN COc1cccc(CN(CCN(C)C)c2ccc([N+](=O)[O-])nc2)c1 ZINC000450479395 477603263 /nfs/dbraw/zinc/60/32/63/477603263.db2.gz NXFYJMNBWVJXBE-UHFFFAOYSA-N 0 3 330.388 2.567 10 5 EFBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425067928 477628998 /nfs/dbraw/zinc/62/89/98/477628998.db2.gz SMMPLSMCWWRJGX-SMDDNHRTSA-N 0 3 337.807 2.723 10 5 EFBEHN CC[C@H](C)N1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000450861371 477739476 /nfs/dbraw/zinc/73/94/76/477739476.db2.gz PWROSBHQIISNPH-ZDUSSCGKSA-N 0 3 335.404 2.610 10 5 EFBEHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451237981 477896503 /nfs/dbraw/zinc/89/65/03/477896503.db2.gz SKZJKLFJYJKWLR-KGLIPLIRSA-N 0 3 336.388 2.815 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@](O)(CO)C3)s2)cc1 ZINC000459664330 478028682 /nfs/dbraw/zinc/02/86/82/478028682.db2.gz AYJBHVNKIQYOKR-KRWDZBQOSA-N 0 3 348.424 2.643 10 5 EFBEHN CNc1ccc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000517396888 478090879 /nfs/dbraw/zinc/09/08/79/478090879.db2.gz PKCRVYMAIWUSFF-STQMWFEESA-N 0 3 334.420 2.629 10 5 EFBEHN CCO[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]1n1cccn1 ZINC000518562503 478178454 /nfs/dbraw/zinc/17/84/54/478178454.db2.gz JNDQVPVFAKSWOD-CYGHRXIMSA-N 0 3 342.399 2.787 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCNC(=O)c1ccccc1 ZINC000536533271 478254648 /nfs/dbraw/zinc/25/46/48/478254648.db2.gz QJLMVDBDINKQHH-AWEZNQCLSA-N 0 3 327.384 2.984 10 5 EFBEHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCCC1 ZINC000600228393 478298740 /nfs/dbraw/zinc/29/87/40/478298740.db2.gz KWTUQEGBSWGTPZ-HNNXBMFYSA-N 0 3 346.431 2.530 10 5 EFBEHN O=C(NC[C@H]1CCN1C1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000600228476 478299188 /nfs/dbraw/zinc/29/91/88/478299188.db2.gz BDGQMRPLJCRYRD-CQSZACIVSA-N 0 3 335.379 2.871 10 5 EFBEHN CNc1c(C(=O)NC[C@@H]2CCN2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600230004 478301680 /nfs/dbraw/zinc/30/16/80/478301680.db2.gz NPCXXLUDBPBHJD-AWEZNQCLSA-N 0 3 346.431 2.773 10 5 EFBEHN CCOc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000600470730 478382974 /nfs/dbraw/zinc/38/29/74/478382974.db2.gz IFBXVHVEKBLVJK-HNNXBMFYSA-N 0 3 347.415 2.740 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600468737 478383796 /nfs/dbraw/zinc/38/37/96/478383796.db2.gz HCKOSVJDAPNSJA-OAHLLOKOSA-N 0 3 331.416 2.958 10 5 EFBEHN Cn1c(=O)ccc2c1CCC[C@H]2N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506535 478417258 /nfs/dbraw/zinc/41/72/58/478417258.db2.gz BDHMDUXAWQZCBC-CVEARBPZSA-N 0 3 339.395 2.948 10 5 EFBEHN CO[C@@](C)(CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000594508120 478417327 /nfs/dbraw/zinc/41/73/27/478417327.db2.gz AYSRZSGXKLOLPU-MRXNPFEDSA-N 0 3 336.413 2.810 10 5 EFBEHN CO[C@](C)(CO)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000594510901 478419588 /nfs/dbraw/zinc/41/95/88/478419588.db2.gz POTSPKPOVUCPCT-INIZCTEOSA-N 0 3 336.413 2.810 10 5 EFBEHN CCC(C)(C)N1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000594590446 478452630 /nfs/dbraw/zinc/45/26/30/478452630.db2.gz AZNPAGGAAIYEKO-UHFFFAOYSA-N 0 3 345.403 2.554 10 5 EFBEHN CC(C)(C)n1cc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nn1 ZINC000581907004 478463059 /nfs/dbraw/zinc/46/30/59/478463059.db2.gz XQJCSVFLCCODOO-UHFFFAOYSA-N 0 3 342.403 2.755 10 5 EFBEHN CC(C)n1cc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nn1 ZINC000582025778 478493942 /nfs/dbraw/zinc/49/39/42/478493942.db2.gz DJSYYBJSYFSHQM-UHFFFAOYSA-N 0 3 328.376 2.581 10 5 EFBEHN CSc1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597858742 478545193 /nfs/dbraw/zinc/54/51/93/478545193.db2.gz OQYGAIQDUOHZHD-LBPRGKRZSA-N 0 3 337.445 2.919 10 5 EFBEHN CC(C)(C)N1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597925541 478579290 /nfs/dbraw/zinc/57/92/90/478579290.db2.gz WVCLXAHLCBPMOR-LLVKDONJSA-N 0 3 330.388 2.679 10 5 EFBEHN Cn1ncc(C(F)(F)F)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000594924385 478587068 /nfs/dbraw/zinc/58/70/68/478587068.db2.gz NJOWEXPZDFHYRU-UHFFFAOYSA-N 0 3 344.293 2.516 10 5 EFBEHN Cn1ncc(C2CCC2)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000594924342 478587855 /nfs/dbraw/zinc/58/78/55/478587855.db2.gz MHOSIHAAWTZNJW-UHFFFAOYSA-N 0 3 330.388 2.764 10 5 EFBEHN Cn1ncc(C(F)(F)F)c1CNCCc1ccccc1[N+](=O)[O-] ZINC000594928154 478590105 /nfs/dbraw/zinc/59/01/05/478590105.db2.gz DREQWJNBPJCUIN-UHFFFAOYSA-N 0 3 328.294 2.679 10 5 EFBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000597946313 478590357 /nfs/dbraw/zinc/59/03/57/478590357.db2.gz OCJLWWSFPROMLT-RDJZCZTQSA-N 0 3 333.432 2.716 10 5 EFBEHN C[C@@H](NC(=O)CCN(C)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000541855712 478596587 /nfs/dbraw/zinc/59/65/87/478596587.db2.gz UVHUZZWVVDJWHX-CYBMUJFWSA-N 0 3 328.372 2.694 10 5 EFBEHN CO[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC1 ZINC000594948918 478601621 /nfs/dbraw/zinc/60/16/21/478601621.db2.gz BMNZGRASWNZKAB-KSSFIOAISA-N 0 3 346.383 2.996 10 5 EFBEHN C[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccn1 ZINC000594956933 478604012 /nfs/dbraw/zinc/60/40/12/478604012.db2.gz YMUAJPOEYBYPEE-LBPRGKRZSA-N 0 3 329.356 2.654 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000594990459 478620891 /nfs/dbraw/zinc/62/08/91/478620891.db2.gz QUZSRRRFJLMGPX-QZTJIDSGSA-N 0 3 345.443 2.636 10 5 EFBEHN CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CCN(CC)C1 ZINC000598038478 478627185 /nfs/dbraw/zinc/62/71/85/478627185.db2.gz DLZPVIIQQBEGTA-GFCCVEGCSA-N 0 3 330.388 2.632 10 5 EFBEHN CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCN(CC)C1 ZINC000598039844 478627311 /nfs/dbraw/zinc/62/73/11/478627311.db2.gz APWJSHRHIYJSAM-CQSZACIVSA-N 0 3 331.372 2.897 10 5 EFBEHN C[C@H]1CCN(CC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000582556046 478628952 /nfs/dbraw/zinc/62/89/52/478628952.db2.gz KJADJFQHBJTWQY-HOCLYGCPSA-N 0 3 331.416 2.643 10 5 EFBEHN COC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000595074943 478652193 /nfs/dbraw/zinc/65/21/93/478652193.db2.gz XEVSFBZPJLBWAO-LRDDRELGSA-N 0 3 338.404 2.696 10 5 EFBEHN C[C@@H]1CCCCN1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601104755 478658594 /nfs/dbraw/zinc/65/85/94/478658594.db2.gz FZZUHYHZWRIZKX-SECBINFHSA-N 0 3 335.330 2.633 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000582677313 478659845 /nfs/dbraw/zinc/65/98/45/478659845.db2.gz QBAXAKCQHXTZDN-INIZCTEOSA-N 0 3 331.416 2.640 10 5 EFBEHN CCN1CCCC[C@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601115730 478664870 /nfs/dbraw/zinc/66/48/70/478664870.db2.gz JMDJDKXEVCWZRX-VIFPVBQESA-N 0 3 335.330 2.633 10 5 EFBEHN CCN1CC[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1C ZINC000601122406 478670321 /nfs/dbraw/zinc/67/03/21/478670321.db2.gz VVRPUFPAKDMPRD-VHSXEESVSA-N 0 3 349.357 2.656 10 5 EFBEHN N[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1c1cccc(F)c1 ZINC000595225716 478693202 /nfs/dbraw/zinc/69/32/02/478693202.db2.gz NQXJCGLSUJRWFK-GDBMZVCRSA-N 0 3 343.358 2.691 10 5 EFBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCN(C2CCC2)CC1 ZINC000601172142 478705106 /nfs/dbraw/zinc/70/51/06/478705106.db2.gz WBCHYNOXGCEBMX-UHFFFAOYSA-N 0 3 347.341 2.776 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1 ZINC000595259169 478706058 /nfs/dbraw/zinc/70/60/58/478706058.db2.gz YMGZKGHXRVNVFX-QGZVFWFLSA-N 0 3 341.367 2.816 10 5 EFBEHN Cc1cc(N2CC(N3CCCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601193400 478717049 /nfs/dbraw/zinc/71/70/49/478717049.db2.gz HVNPSPQOAMOTDU-UHFFFAOYSA-N 0 3 339.399 2.645 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(Nc2cnn(C3CCN(C)CC3)c2)n1 ZINC000601225598 478733606 /nfs/dbraw/zinc/73/36/06/478733606.db2.gz HHCWNXCVYDIIIK-UHFFFAOYSA-N 0 3 330.392 2.813 10 5 EFBEHN C[C@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN1C ZINC000601233245 478738646 /nfs/dbraw/zinc/73/86/46/478738646.db2.gz ZTGLTOWXSOGZMY-ZFWWWQNUSA-N 0 3 331.416 2.615 10 5 EFBEHN COC(=O)c1cc(N[C@H]2C[C@H](C)N(C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000564567609 478762187 /nfs/dbraw/zinc/76/21/87/478762187.db2.gz LRZDZZQWKNATGU-AAEUAGOBSA-N 0 3 333.388 2.727 10 5 EFBEHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601311114 478779191 /nfs/dbraw/zinc/77/91/91/478779191.db2.gz YKGRKMHEYVJBJM-DYVFJYSZSA-N 0 3 343.427 2.615 10 5 EFBEHN CC(C)(C)O[C@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592375614 478873998 /nfs/dbraw/zinc/87/39/98/478873998.db2.gz WRFACCSRBDXBAX-BETUJISGSA-N 0 3 336.388 2.802 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000592516979 478925578 /nfs/dbraw/zinc/92/55/78/478925578.db2.gz MNZOQSKAFDDWSZ-GDBMZVCRSA-N 0 3 348.399 2.772 10 5 EFBEHN CC(C)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1F ZINC000595689950 478939347 /nfs/dbraw/zinc/93/93/47/478939347.db2.gz GKVPFPKKXYYOPK-QGZVFWFLSA-N 0 3 333.363 2.883 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595769063 478988115 /nfs/dbraw/zinc/98/81/15/478988115.db2.gz OSGKWOKFPGOOKN-WMLDXEAASA-N 0 3 344.415 2.838 10 5 EFBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595769061 478988177 /nfs/dbraw/zinc/98/81/77/478988177.db2.gz OSGKWOKFPGOOKN-PBHICJAKSA-N 0 3 344.415 2.838 10 5 EFBEHN NC[C@H]1c2ccccc2CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000565363121 478989112 /nfs/dbraw/zinc/98/91/12/478989112.db2.gz GIWMMNRQVUAURX-SFHVURJKSA-N 0 3 327.384 2.532 10 5 EFBEHN Cc1scc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000601969513 479101300 /nfs/dbraw/zinc/10/13/00/479101300.db2.gz UCBGMUZJQJANEE-CQSZACIVSA-N 0 3 336.413 2.803 10 5 EFBEHN Cc1scc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000601969063 479101362 /nfs/dbraw/zinc/10/13/62/479101362.db2.gz SGOUZBXLYLKNJJ-OAHLLOKOSA-N 0 3 336.413 2.803 10 5 EFBEHN COc1cc(N2CCN(c3ccncc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596061595 479115423 /nfs/dbraw/zinc/11/54/23/479115423.db2.gz LNSIKETUNDVFCB-UHFFFAOYSA-N 0 3 348.790 2.978 10 5 EFBEHN COc1cc(CNC[C@@H]2Cc3ccccc3CO2)c([N+](=O)[O-])cc1O ZINC000598989551 479116539 /nfs/dbraw/zinc/11/65/39/479116539.db2.gz LRRFZLZTYDWSOQ-HNNXBMFYSA-N 0 3 344.367 2.540 10 5 EFBEHN C[C@H](O)[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066453 479116564 /nfs/dbraw/zinc/11/65/64/479116564.db2.gz DHHQDWUSQLJAMY-UGSOOPFHSA-N 0 3 343.383 2.635 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)[C@@H]3CCCO3)s2)cc1 ZINC000598990160 479116710 /nfs/dbraw/zinc/11/67/10/479116710.db2.gz IHJLRDZKEYCEFB-HOTGVXAUSA-N 0 3 348.424 2.953 10 5 EFBEHN C[C@@H](O)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066449 479117384 /nfs/dbraw/zinc/11/73/84/479117384.db2.gz DHHQDWUSQLJAMY-FZKQIMNGSA-N 0 3 343.383 2.635 10 5 EFBEHN COc1ccc(CN2CC[C@@H]2CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000598992773 479118291 /nfs/dbraw/zinc/11/82/91/479118291.db2.gz DSNBMMHKMXLPGQ-GOSISDBHSA-N 0 3 341.411 2.968 10 5 EFBEHN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)C(=O)N1CCCC1 ZINC000599009308 479124785 /nfs/dbraw/zinc/12/47/85/479124785.db2.gz ZQNDGUNCOSUZAO-UHFFFAOYSA-N 0 3 349.431 2.732 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000593029589 479133194 /nfs/dbraw/zinc/13/31/94/479133194.db2.gz CRAXJOTUGCXTNM-BMFZPTHFSA-N 0 3 348.399 2.675 10 5 EFBEHN COCCN1CCC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599040572 479135364 /nfs/dbraw/zinc/13/53/64/479135364.db2.gz KEKZSSQNKSJIRD-AWEZNQCLSA-N 0 3 330.388 2.666 10 5 EFBEHN Cc1ccccc1C1(NCCn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC000593038244 479137246 /nfs/dbraw/zinc/13/72/46/479137246.db2.gz AXLDORHKABCNNU-UHFFFAOYSA-N 0 3 327.384 2.734 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(Cn2cnnc2)CC1 ZINC000593078117 479161100 /nfs/dbraw/zinc/16/11/00/479161100.db2.gz UQVWOEGZPGLQLX-CQSZACIVSA-N 0 3 329.404 2.968 10 5 EFBEHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCN(C)c1ccncc1 ZINC000569791258 479176770 /nfs/dbraw/zinc/17/67/70/479176770.db2.gz HHIYIAIGCGSMRV-UHFFFAOYSA-N 0 3 342.399 2.517 10 5 EFBEHN CN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H]1c1ccccc1 ZINC000596179229 479182612 /nfs/dbraw/zinc/18/26/12/479182612.db2.gz OPOISLJWYVPQCP-RDJZCZTQSA-N 0 3 340.383 2.551 10 5 EFBEHN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H]1c1ccccc1 ZINC000596179231 479182936 /nfs/dbraw/zinc/18/29/36/479182936.db2.gz OPOISLJWYVPQCP-WBVHZDCISA-N 0 3 340.383 2.551 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC2(CCO)CCOCC2)o1 ZINC000610771619 479184199 /nfs/dbraw/zinc/18/41/99/479184199.db2.gz DTBMTJPIRNLZQE-UHFFFAOYSA-N 0 3 346.383 2.876 10 5 EFBEHN O=C(CCN1CC[C@@]2(CC2(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000593116293 479184464 /nfs/dbraw/zinc/18/44/64/479184464.db2.gz HFYQZBXFACGHTG-CQSZACIVSA-N 0 3 325.315 2.655 10 5 EFBEHN Cc1c(NC(=O)CCN2CC[C@@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000593118909 479187261 /nfs/dbraw/zinc/18/72/61/479187261.db2.gz SXHXRUPHYQCHQZ-OAHLLOKOSA-N 0 3 339.342 2.963 10 5 EFBEHN CCC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000599187304 479201108 /nfs/dbraw/zinc/20/11/08/479201108.db2.gz QWBJVXJJHDLIID-UHFFFAOYSA-N 0 3 333.432 2.984 10 5 EFBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000599207378 479210176 /nfs/dbraw/zinc/21/01/76/479210176.db2.gz ULOTWUXZTFNZDV-MRXNPFEDSA-N 0 3 346.431 2.753 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000596307333 479246734 /nfs/dbraw/zinc/24/67/34/479246734.db2.gz KRCTUADLOPCTKS-CQSZACIVSA-N 0 3 346.431 2.772 10 5 EFBEHN CC(C)(C)N1CC[C@@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000596307346 479247044 /nfs/dbraw/zinc/24/70/44/479247044.db2.gz KVKDYFCXJUKKEK-SNVBAGLBSA-N 0 3 331.376 2.528 10 5 EFBEHN O=[N+]([O-])c1ccc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 ZINC000596422580 479288607 /nfs/dbraw/zinc/28/86/07/479288607.db2.gz FRDROQBTTYLXAW-GOSISDBHSA-N 0 3 327.384 2.774 10 5 EFBEHN O=[N+]([O-])c1ccc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c(F)c1 ZINC000596424607 479289224 /nfs/dbraw/zinc/28/92/24/479289224.db2.gz UAQRPXRAMKIVGC-MRXNPFEDSA-N 0 3 345.374 2.913 10 5 EFBEHN CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CCN(CC)C1 ZINC000596580351 479346798 /nfs/dbraw/zinc/34/67/98/479346798.db2.gz WEFJKNPLOKLFQO-HNNXBMFYSA-N 0 3 334.420 2.529 10 5 EFBEHN CCN1CCN([C@@H](C)CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593455954 479348186 /nfs/dbraw/zinc/34/81/86/479348186.db2.gz WDQPKVOQTPYHGM-AWEZNQCLSA-N 0 3 343.431 2.581 10 5 EFBEHN O=[N+]([O-])c1ccsc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000611413641 479371532 /nfs/dbraw/zinc/37/15/32/479371532.db2.gz JMDPKEUDXKSMKW-ZDUSSCGKSA-N 0 3 325.434 2.738 10 5 EFBEHN C[C@H](CN(C)Cc1ccccc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588012602 479384264 /nfs/dbraw/zinc/38/42/64/479384264.db2.gz JANOXCBMNFCJOO-CYBMUJFWSA-N 0 3 344.415 2.602 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@]1(CO)CCc2ccccc21 ZINC000593652888 479413617 /nfs/dbraw/zinc/41/36/17/479413617.db2.gz OJABFLDKNLKPJV-IBGZPJMESA-N 0 3 326.396 2.869 10 5 EFBEHN NC(=O)[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000593669695 479418008 /nfs/dbraw/zinc/41/80/08/479418008.db2.gz BIGKLYCUDVRHLF-AOOOYVTPSA-N 0 3 349.774 2.862 10 5 EFBEHN Cn1c(=O)ccc2c1CCC[C@@H]2NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000593694951 479425011 /nfs/dbraw/zinc/42/50/11/479425011.db2.gz UWYUUEQPZCTUFT-WRLNGNIRSA-N 0 3 339.395 2.974 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](NCC[C@]2(O)CCOC2)c2ccccc2)c1 ZINC000593725875 479436066 /nfs/dbraw/zinc/43/60/66/479436066.db2.gz ZXXGADGGUOFSLW-MOPGFXCFSA-N 0 3 342.395 2.815 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000596843866 479452879 /nfs/dbraw/zinc/45/28/79/479452879.db2.gz LJISHIZQKPMXCU-GFCCVEGCSA-N 0 3 336.392 2.598 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000589506110 479535169 /nfs/dbraw/zinc/53/51/69/479535169.db2.gz VTEOPNJSRJSOEJ-CABCVRRESA-N 0 3 348.399 2.630 10 5 EFBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000589506881 479535328 /nfs/dbraw/zinc/53/53/28/479535328.db2.gz YVFMBLVGPBOEFM-YOEHRIQHSA-N 0 3 336.388 2.675 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC2COCCOC2)s1 ZINC000589938332 479583815 /nfs/dbraw/zinc/58/38/15/479583815.db2.gz MRUMWCOMOCOJJR-UHFFFAOYSA-N 0 3 334.397 2.828 10 5 EFBEHN CO[C@@]1(CO)CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597188279 479611976 /nfs/dbraw/zinc/61/19/76/479611976.db2.gz SIOHLUCSWURSDP-SFHVURJKSA-N 0 3 346.383 2.828 10 5 EFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000610002476 480227017 /nfs/dbraw/zinc/22/70/17/480227017.db2.gz MQTYGCDJWDZRQL-MAUKXSAKSA-N 0 3 333.432 2.843 10 5 EFBEHN COc1cc(CNC[C@@H](C)c2ccncc2)c([N+](=O)[O-])cc1OC ZINC000610517682 480327679 /nfs/dbraw/zinc/32/76/79/480327679.db2.gz DDAIQSGXSDNXKD-GFCCVEGCSA-N 0 3 331.372 2.900 10 5 EFBEHN CC(C)[C@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1 ZINC000621157729 480364986 /nfs/dbraw/zinc/36/49/86/480364986.db2.gz BDFJUOOGAZGZNH-GOSISDBHSA-N 0 3 349.434 2.751 10 5 EFBEHN COc1cc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c([N+](=O)[O-])cc1[O-] ZINC000610717468 480373118 /nfs/dbraw/zinc/37/31/18/480373118.db2.gz ZMXJPQSJVRQVDQ-MRXNPFEDSA-N 0 3 338.404 2.994 10 5 EFBEHN CSc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000155325518 534188434 /nfs/dbraw/zinc/18/84/34/534188434.db2.gz SNQFRDMFPXUULG-YPMHNXCESA-N 0 3 337.445 2.775 10 5 EFBEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178223506 519872330 /nfs/dbraw/zinc/87/23/30/519872330.db2.gz KXWGTODOPYQAAT-TZMCWYRMSA-N 0 3 329.404 2.975 10 5 EFBEHN CCN(CC)C(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000058524341 520442813 /nfs/dbraw/zinc/44/28/13/520442813.db2.gz CPRORBGKCKEEIA-UHFFFAOYSA-N 0 3 349.431 2.554 10 5 EFBEHN CC[C@@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176706115 522715604 /nfs/dbraw/zinc/71/56/04/522715604.db2.gz GCIKUZPBDUEFKG-DLBZAZTESA-N 0 3 346.431 2.926 10 5 EFBEHN CN(c1ccccc1)c1ccc(CNC2(CO)CC2)cc1[N+](=O)[O-] ZINC000120365158 523655223 /nfs/dbraw/zinc/65/52/23/523655223.db2.gz SCGCNPIMZRVCEG-UHFFFAOYSA-N 0 3 327.384 2.977 10 5 EFBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000246102718 524334988 /nfs/dbraw/zinc/33/49/88/524334988.db2.gz JIVZOBBLRKUKOZ-HIFRSBDPSA-N 0 3 331.416 2.829 10 5 EFBEHN Cc1nccn1C[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000178291207 534779415 /nfs/dbraw/zinc/77/94/15/534779415.db2.gz KVPRLUFDAXLQMO-INIZCTEOSA-N 0 3 330.388 2.643 10 5 EFBEHN COc1ccccc1[C@@H]1CNCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000261638281 524761342 /nfs/dbraw/zinc/76/13/42/524761342.db2.gz FLTZJSPEPFPYPF-KRWDZBQOSA-N 0 3 327.384 2.750 10 5 EFBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C(C)C)C1CCOCC1 ZINC000077323049 524906919 /nfs/dbraw/zinc/90/69/19/524906919.db2.gz SQLVUDFZNIPARD-UHFFFAOYSA-N 0 3 335.404 2.731 10 5 EFBEHN C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178658903 525556802 /nfs/dbraw/zinc/55/68/02/525556802.db2.gz ZMZAXBQWCCQAFZ-DZGCQCFKSA-N 0 3 329.404 2.648 10 5 EFBEHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154656420 526033209 /nfs/dbraw/zinc/03/32/09/526033209.db2.gz NIZHOWNXOMLXDV-XVGQJIODSA-N 0 3 342.395 2.952 10 5 EFBEHN Cc1nc(C[C@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000195518233 526923390 /nfs/dbraw/zinc/92/33/90/526923390.db2.gz PIOTWPALZABBLS-OAHLLOKOSA-N 0 3 330.388 2.783 10 5 EFBEHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(C2CC2)CC1 ZINC000143868969 527262443 /nfs/dbraw/zinc/26/24/43/527262443.db2.gz WGWWHOVDWWTLFU-UHFFFAOYSA-N 0 3 338.795 2.950 10 5 EFBEHN O=[N+]([O-])c1ccc2oc(CN3CCC(c4ccn[nH]4)CC3)nc2c1 ZINC000177034168 527381468 /nfs/dbraw/zinc/38/14/68/527381468.db2.gz JYPDURMINCUSTH-UHFFFAOYSA-N 0 3 327.344 2.839 10 5 EFBEHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000183363154 528109855 /nfs/dbraw/zinc/10/98/55/528109855.db2.gz MCLIWDRVEOEQJA-SJORKVTESA-N 0 3 334.416 2.655 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000174533046 529066157 /nfs/dbraw/zinc/06/61/57/529066157.db2.gz DNGMJWUNMUJXKC-GFCCVEGCSA-N 0 3 325.796 2.805 10 5 EFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174533503 529069093 /nfs/dbraw/zinc/06/90/93/529069093.db2.gz IVTKNYJVDHNNSA-GFCCVEGCSA-N 0 3 325.796 2.805 10 5 EFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174533516 529096702 /nfs/dbraw/zinc/09/67/02/529096702.db2.gz IVTKNYJVDHNNSA-LBPRGKRZSA-N 0 3 325.796 2.805 10 5 EFBEHN CC1(C2CC2)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000352176617 535108423 /nfs/dbraw/zinc/10/84/23/535108423.db2.gz RNMIHBPEKINXSO-OAHLLOKOSA-N 0 3 334.416 2.847 10 5 EFBEHN CC(C)N1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000675057161 548198928 /nfs/dbraw/zinc/19/89/28/548198928.db2.gz WWGRBMXVJGSMOU-UHFFFAOYSA-N 0 3 342.237 2.883 10 5 EFBEHN CN1CCC(CC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC1 ZINC000753985976 575370750 /nfs/dbraw/zinc/37/07/50/575370750.db2.gz TWSYSALGRVGNSO-UHFFFAOYSA-N 0 3 343.387 2.655 10 5 EFBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCCCC1 ZINC000755009505 575529707 /nfs/dbraw/zinc/52/97/07/575529707.db2.gz CZIYGQCVAHMYIM-CCEZHUSRSA-N 0 3 331.416 2.990 10 5 EFBEHN Cc1nn(CN2CCC[C@@H]3COCC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000761294606 576141934 /nfs/dbraw/zinc/14/19/34/576141934.db2.gz YFVNJAZXWGRXRH-CZUORRHYSA-N 0 3 330.388 2.711 10 5 EFBEHN O=C1C[C@@H]([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1 ZINC000761514938 576173703 /nfs/dbraw/zinc/17/37/03/576173703.db2.gz OGNVJKGWRUKKNO-TZMCWYRMSA-N 0 3 337.807 2.739 10 5 EFBEHN COc1ccc(OC)c([C@@H](C)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000765844936 577082293 /nfs/dbraw/zinc/08/22/93/577082293.db2.gz LGVAVFHFHMAESP-PXAZEXFGSA-N 0 3 346.383 2.996 10 5 EFBEHN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000765850344 577082906 /nfs/dbraw/zinc/08/29/06/577082906.db2.gz XLNGQOIDBDPLCQ-IAQYHMDHSA-N 0 3 330.340 2.708 10 5 EFBEHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000765850345 577082990 /nfs/dbraw/zinc/08/29/90/577082990.db2.gz XLNGQOIDBDPLCQ-NHYWBVRUSA-N 0 3 330.340 2.708 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)c(CNCCC2CCS(=O)(=O)CC2)c1 ZINC000768649712 577292080 /nfs/dbraw/zinc/29/20/80/577292080.db2.gz HMRXMIZILBQLQK-UHFFFAOYSA-N 0 3 346.836 2.553 10 5 EFBEHN COc1cc(F)c([N+](=O)[O-])c(NC[C@]2(N(C)C)CCSC2)c1 ZINC000748281806 577417789 /nfs/dbraw/zinc/41/77/89/577417789.db2.gz HXEXPYFXVNTGCT-CQSZACIVSA-N 0 3 329.397 2.592 10 5 EFBEHN O=[N+]([O-])c1cc(CN[C@H]2C[C@H](O)C23CCC3)ccc1Br ZINC000850389223 1250461704 /nfs/dbraw/zinc/46/17/04/1250461704.db2.gz UDAYAHVQZJLAAU-STQMWFEESA-N 0 3 341.205 2.750 10 5 EFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[S@@](=O)CC(F)(F)F ZINC000850494261 1250506985 /nfs/dbraw/zinc/50/69/85/1250506985.db2.gz ZVKYCZNCJYALSO-ZQJOYCHOSA-N 0 3 338.351 2.865 10 5 EFBEHN Cc1cccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c1F ZINC001493553763 1252181796 /nfs/dbraw/zinc/18/17/96/1252181796.db2.gz FDPBRBXWTYINHX-UHFFFAOYSA-N 0 3 345.374 2.904 10 5 EFBEHN CN(CCCN(C)C(=O)Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001484762629 1252892073 /nfs/dbraw/zinc/89/20/73/1252892073.db2.gz JMKMRFDHFNABRC-UHFFFAOYSA-N 0 3 345.399 2.711 10 5 EFBEHN CC[C@@H](NCc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC001168570844 1257746998 /nfs/dbraw/zinc/74/69/98/1257746998.db2.gz TYLGSICCHPTWIW-CQSZACIVSA-N 0 3 346.387 2.940 10 5 EFBEHN C[C@@H]1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000922557330 1266253850 /nfs/dbraw/zinc/25/38/50/1266253850.db2.gz OEHUDWNIUGSRKS-IAQYHMDHSA-N 0 3 332.429 2.901 10 5 EFBEHN CCc1ncc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000825078900 1278406342 /nfs/dbraw/zinc/40/63/42/1278406342.db2.gz FCTKVPWSLZNDNB-UHFFFAOYSA-N 0 3 330.388 2.904 10 5 EFBEHN Cc1ccc2c(c1C)OC[C@@H]2NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819013611 1276587717 /nfs/dbraw/zinc/58/77/17/1276587717.db2.gz DUJIFSHONSMQON-IRXDYDNUSA-N 0 3 328.368 2.968 10 5 EFBEHN C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000923169568 1277109238 /nfs/dbraw/zinc/10/92/38/1277109238.db2.gz DLTOFWPGQZIVPO-DOMZBBRYSA-N 0 3 334.420 2.828 10 5 EFBEHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000871763653 1287275460 /nfs/dbraw/zinc/27/54/60/1287275460.db2.gz NDNNXXTVCCZHCY-UONOGXRCSA-N 0 3 338.795 2.949 10 5 EFBEHN COCCN1[C@H](C)CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000845579517 1279726995 /nfs/dbraw/zinc/72/69/95/1279726995.db2.gz UJPRPIXTIIQFQT-OKILXGFUSA-N 0 3 344.415 2.688 10 5 EFBEHN CC(=O)C1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000846950220 1280654031 /nfs/dbraw/zinc/65/40/31/1280654031.db2.gz NATRRSIBNWGIGI-UHFFFAOYSA-N 0 3 333.388 2.533 10 5 EFBEHN Cc1ccnc([C@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000846969234 1280670000 /nfs/dbraw/zinc/67/00/00/1280670000.db2.gz MRXUXAVYCQWITG-YJBOKZPZSA-N 0 3 327.384 2.821 10 5 EFBEHN Cc1ccccc1OC[C@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000872231387 1287488433 /nfs/dbraw/zinc/48/84/33/1287488433.db2.gz JPYBWWGLHAXNGA-MRXNPFEDSA-N 0 3 330.384 2.741 10 5 EFBEHN Cc1ccc(CNC[C@@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000872231776 1287488488 /nfs/dbraw/zinc/48/84/88/1287488488.db2.gz RMMHHUJMGOLEHQ-CQSZACIVSA-N 0 3 334.347 2.572 10 5 EFBEHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000810537976 1283360993 /nfs/dbraw/zinc/36/09/93/1283360993.db2.gz PEZOVHBQJAEFJJ-OAHLLOKOSA-N 0 3 327.331 2.885 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1(C2CC2)CC1 ZINC001273441861 1284073769 /nfs/dbraw/zinc/07/37/69/1284073769.db2.gz WWLOBVDRHLAWOH-UHFFFAOYSA-N 0 3 331.416 2.723 10 5 EFBEHN C[C@H](NCC1(C2(O)CCC2)CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001176051088 1287686724 /nfs/dbraw/zinc/68/67/24/1287686724.db2.gz BNRLVGODLVKIGC-ZDUSSCGKSA-N 0 3 347.415 2.597 10 5 EFBEHN O=[N+]([O-])c1ccc2cnn(CN3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000747828704 1285553127 /nfs/dbraw/zinc/55/31/27/1285553127.db2.gz HPGFWKCZLQXIGS-HUUCEWRRSA-N 0 3 330.388 2.651 10 5 EFBEHN Cc1nn(CN2CCC[C@@H]([C@H]3CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000747831284 1285578774 /nfs/dbraw/zinc/57/87/74/1285578774.db2.gz LVICILGUUVPLQV-CABCVRRESA-N 0 3 344.415 2.959 10 5 EFBEHN CC(COC(=O)CCCc1cccc(Br)c1)[N+](=O)[O-] ZINC000813105492 1285645984 /nfs/dbraw/zinc/64/59/84/1285645984.db2.gz ZWBUXIBBRRUMBK-JTQLQIEISA-N 0 3 330.178 2.980 10 5 EFBEHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102056 1285652344 /nfs/dbraw/zinc/65/23/44/1285652344.db2.gz AIZTXCRSBXNKKB-SECBINFHSA-N 0 3 328.346 2.919 10 5 EFBEHN CC(COC(=O)Cc1cc(Cl)ccc1Br)[N+](=O)[O-] ZINC000813106073 1285656773 /nfs/dbraw/zinc/65/67/73/1285656773.db2.gz XSAWSVWVXWWSPV-ZETCQYMHSA-N 0 3 336.569 2.853 10 5 EFBEHN CC(COC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)[N+](=O)[O-] ZINC000813105232 1285676492 /nfs/dbraw/zinc/67/64/92/1285676492.db2.gz KXHOSCSBYPVNJP-DVVUODLYSA-N 0 3 333.262 2.897 10 5 EFBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OCCC(C)C)c1 ZINC000813106503 1285676793 /nfs/dbraw/zinc/67/67/93/1285676793.db2.gz DHURYRPMOGXMHA-LBPRGKRZSA-N 0 3 325.361 2.942 10 5 EFBEHN CC(COC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)[N+](=O)[O-] ZINC000813110912 1285682410 /nfs/dbraw/zinc/68/24/10/1285682410.db2.gz LUOFWENOACFKSC-LBPRGKRZSA-N 0 3 336.388 2.627 10 5 EFBEHN CC(COC(=O)C1(c2ccccc2Cl)CCOCC1)[N+](=O)[O-] ZINC000813110885 1285682767 /nfs/dbraw/zinc/68/27/67/1285682767.db2.gz LLWXMVJMMQGZMV-LLVKDONJSA-N 0 3 327.764 2.597 10 5 EFBEHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000813111841 1285682836 /nfs/dbraw/zinc/68/28/36/1285682836.db2.gz ATSXWSDBXINHDZ-CYBMUJFWSA-N 0 3 331.372 2.955 10 5 EFBEHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1cccc(F)c1 ZINC000813111595 1285684376 /nfs/dbraw/zinc/68/43/76/1285684376.db2.gz VLJBNTQHGKLFGC-LLVKDONJSA-N 0 3 335.335 2.786 10 5 EFBEHN CC(COC(=O)CCSc1nc2ccccc2s1)[N+](=O)[O-] ZINC000813115563 1285685013 /nfs/dbraw/zinc/68/50/13/1285685013.db2.gz VKKKAIUQHXVBMN-SECBINFHSA-N 0 3 326.399 2.987 10 5 EFBEHN CN1CCCC[C@@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001134555991 1286911681 /nfs/dbraw/zinc/91/16/81/1286911681.db2.gz KBKFJYXAYHIPDL-CYBMUJFWSA-N 0 3 342.399 2.544 10 5 EFBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CCOCC23CCCC3)c([N+](=O)[O-])c1 ZINC001176965207 1288197378 /nfs/dbraw/zinc/19/73/78/1288197378.db2.gz JJAQDOKQJCZFBU-OAHLLOKOSA-N 0 3 335.360 2.942 10 5 EFBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(F)F ZINC001273597796 1292081763 /nfs/dbraw/zinc/08/17/63/1292081763.db2.gz QWIAQOJJNVNGED-UHFFFAOYSA-N 0 3 329.347 2.578 10 5 EFBEHN O=C(CC1CCC1)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001691698870 1293058465 /nfs/dbraw/zinc/05/84/65/1293058465.db2.gz ZSUHIHMTXBSDDA-FZNQNYSPSA-N 0 3 331.416 2.769 10 5 EFBEHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826585008 1295550187 /nfs/dbraw/zinc/55/01/87/1295550187.db2.gz KRMUIXIZFPNYST-INIZCTEOSA-N 0 3 347.459 2.945 10 5 EFBEHN O=C(/C=C/c1ccco1)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001273804824 1295919373 /nfs/dbraw/zinc/91/93/73/1295919373.db2.gz KVRINSKVQSHAMY-LLGXEZKASA-N 0 3 341.367 2.663 10 5 EFBEHN CC([C@@H](OC(=O)[C@@H](C)c1cncnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845881461 1296931176 /nfs/dbraw/zinc/93/11/76/1296931176.db2.gz KVJZLVBXRZUPDS-ZIBATOQPSA-N 0 3 333.319 2.669 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000927051786 1296983141 /nfs/dbraw/zinc/98/31/41/1296983141.db2.gz JFNDUCIZUOSFOP-KUDNYVPYSA-N 0 3 336.388 2.937 10 5 EFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3ccccn3)C2)c1 ZINC000852086963 1299542782 /nfs/dbraw/zinc/54/27/82/1299542782.db2.gz YNLAYWHOICTEEL-MAUKXSAKSA-N 0 3 327.384 2.903 10 5 EFBEHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859826015 1301589850 /nfs/dbraw/zinc/58/98/50/1301589850.db2.gz UHOXXMCAQVKDES-VGAUDOQQSA-N 0 3 341.795 2.588 10 5 EFBEHN CC(C)c1ccc(CNc2cc3n(n2)CCN(C)C3)cc1[N+](=O)[O-] ZINC000865844289 1303426063 /nfs/dbraw/zinc/42/60/63/1303426063.db2.gz HXEQAZSQFFKDTM-UHFFFAOYSA-N 0 3 329.404 2.972 10 5 EFBEHN CC1(C)[C@@H](N)c2ccccc2N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000867989993 1304062108 /nfs/dbraw/zinc/06/21/08/1304062108.db2.gz RMBYKQDESDCVIU-KRWDZBQOSA-N 0 3 341.367 2.799 10 5 EFBEHN C[C@H](C(=O)N1CCN(C)C(C)(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000871156278 1305849656 /nfs/dbraw/zinc/84/96/56/1305849656.db2.gz VADMHSYKYKSSOZ-LBPRGKRZSA-N 0 3 337.395 2.780 10 5 EFBEHN CC[C@@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC001230515622 1312251419 /nfs/dbraw/zinc/25/14/19/1312251419.db2.gz WRZWCLKIFYDPOC-IXDOHACOSA-N 0 3 346.431 2.924 10 5 EFBEHN CC[C@@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC001230515623 1312251499 /nfs/dbraw/zinc/25/14/99/1312251499.db2.gz WRZWCLKIFYDPOC-ZACQAIPSSA-N 0 3 346.431 2.924 10 5 EFBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@]1(OC(C)C)CCOC1 ZINC000903357356 1312595179 /nfs/dbraw/zinc/59/51/79/1312595179.db2.gz LQXKJIGGZMJKQS-DYVFJYSZSA-N 0 3 338.404 2.838 10 5 EFBEHN CC[C@@H]1OCC[C@H]1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001263535447 1316548677 /nfs/dbraw/zinc/54/86/77/1316548677.db2.gz XSNWOZXPAOSABA-FDEJFUCISA-N 0 3 325.336 2.890 10 5 EFBEHN CCN1CCCC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001293327168 1322230251 /nfs/dbraw/zinc/23/02/51/1322230251.db2.gz CFMLZJGJNCXIMS-LLVKDONJSA-N 0 3 343.786 2.992 10 5 EFBEHN CC(C)N1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001296125530 1322856197 /nfs/dbraw/zinc/85/61/97/1322856197.db2.gz BVKXEULVJIPZOX-ZDUSSCGKSA-N 0 3 325.796 2.851 10 5 EFBEHN CCOc1ccc(-c2nc([C@H]3CN4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001320208713 1329104603 /nfs/dbraw/zinc/10/46/03/1329104603.db2.gz ZKQKZWHYZGXFQH-ZDUSSCGKSA-N 0 3 344.371 2.853 10 5 EFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001303540496 1324610159 /nfs/dbraw/zinc/61/01/59/1324610159.db2.gz REXHRNHUWDGPEU-AWEZNQCLSA-N 0 3 331.416 2.992 10 5 EFBEHN CCN1C[C@@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001304043841 1324634053 /nfs/dbraw/zinc/63/40/53/1324634053.db2.gz ZQYPBTCJARMAOE-XHDPSFHLSA-N 0 3 337.395 2.684 10 5 EFBEHN CCN1C[C@@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001304043839 1324634273 /nfs/dbraw/zinc/63/42/73/1324634273.db2.gz ZQYPBTCJARMAOE-IAQYHMDHSA-N 0 3 337.395 2.684 10 5 EFBEHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccco1 ZINC001306840678 1324723789 /nfs/dbraw/zinc/72/37/89/1324723789.db2.gz TZZSTUQBXAYTHV-ABAIWWIYSA-N 0 3 346.387 2.750 10 5 EFBEHN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCCN(CC)CC2)cc1C ZINC001306958158 1324734909 /nfs/dbraw/zinc/73/49/09/1324734909.db2.gz ITOADXDBYVKQBE-UHFFFAOYSA-N 0 3 335.404 2.612 10 5 EFBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c1 ZINC001307893617 1324785146 /nfs/dbraw/zinc/78/51/46/1324785146.db2.gz UJAGMMCZQSZXHD-KZNAEPCWSA-N 0 3 342.399 2.786 10 5 EFBEHN Cc1c(NC(=O)CCN[C@@H]2CCCn3nccc32)cccc1[N+](=O)[O-] ZINC001308026060 1324790130 /nfs/dbraw/zinc/79/01/30/1324790130.db2.gz HSBZDBRLRSEUDP-CQSZACIVSA-N 0 3 343.387 2.553 10 5 EFBEHN O=C(NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cc[nH]c1 ZINC001316916906 1325344704 /nfs/dbraw/zinc/34/47/04/1325344704.db2.gz WGTHPEPYINZMCI-UHFFFAOYSA-N 0 3 342.399 2.707 10 5 EFBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1(CF)CCC1 ZINC001320845446 1329309414 /nfs/dbraw/zinc/30/94/14/1329309414.db2.gz APCWNFAOQPJBCK-UHFFFAOYSA-N 0 3 337.395 2.673 10 5 EFBEHN C/C(=C/C(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001326571747 1330319380 /nfs/dbraw/zinc/31/93/80/1330319380.db2.gz AQUXSOQUPYHNNW-XFNCEPBJSA-N 0 3 343.427 2.941 10 5 EFBEHN CC(C)(C)OCC(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001326808731 1330367698 /nfs/dbraw/zinc/36/76/98/1330367698.db2.gz HLJZFSCNOSKNNY-UHFFFAOYSA-N 0 3 349.431 2.538 10 5 EFBEHN COc1ccc(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC001331531874 1330848995 /nfs/dbraw/zinc/84/89/95/1330848995.db2.gz IOJOUXITVYRFAC-GFCCVEGCSA-N 0 3 331.372 2.900 10 5 EFBEHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OC[C@@H]1CCN1C1CCOCC1 ZINC001344932687 1332495787 /nfs/dbraw/zinc/49/57/87/1332495787.db2.gz VLIQSRTXSDIJRX-HNNXBMFYSA-N 0 3 348.399 2.622 10 5 EFBEHN CN1C[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccccc34)[C@@H]2C1 ZINC001350245708 1333053321 /nfs/dbraw/zinc/05/33/21/1333053321.db2.gz KPKVQIVOZCZDOC-YVEFUNNKSA-N 0 3 340.383 2.916 10 5 EFBEHN O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC[C@H]3COCC[C@@H]32)c1 ZINC000848482671 1334740166 /nfs/dbraw/zinc/74/01/66/1334740166.db2.gz SSYGXKHNZDQUDB-YOEHRIQHSA-N 0 3 342.399 2.917 10 5 EFBEHN C[C@H]1[C@@H](C)N(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000848489095 1334745448 /nfs/dbraw/zinc/74/54/48/1334745448.db2.gz PZYBNLSACXAENN-VMUDFCTBSA-N 0 3 331.416 2.845 10 5 EFBEHN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000848489647 1334746407 /nfs/dbraw/zinc/74/64/07/1334746407.db2.gz WYYNPFIOHWEXQO-SOLBZPMBSA-N 0 3 343.427 2.990 10 5 EFBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848578724 1334805961 /nfs/dbraw/zinc/80/59/61/1334805961.db2.gz ZSDLRTHVYPXIJG-MZTACXPWSA-N 0 3 331.372 2.571 10 5 EFBEHN CN(C)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC001440586986 1389760264 /nfs/dbraw/zinc/76/02/64/1389760264.db2.gz CYBJOJUBVKICPI-OAHLLOKOSA-N 0 3 331.347 2.767 10 5 EFBEHN CN(C)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC001440586985 1389760295 /nfs/dbraw/zinc/76/02/95/1389760295.db2.gz CYBJOJUBVKICPI-HNNXBMFYSA-N 0 3 331.347 2.767 10 5 EFBEHN O=[N+]([O-])c1ncccc1N1CCN(c2ccnc3ccccc32)CC1 ZINC001458466433 1395475504 /nfs/dbraw/zinc/47/55/04/1395475504.db2.gz BPELEVSSVPORLV-UHFFFAOYSA-N 0 3 335.367 2.865 10 5 EFBEHN CC(C)N1CCC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001466716542 1396776839 /nfs/dbraw/zinc/77/68/39/1396776839.db2.gz KGZMIBAKHJXLLI-OAHLLOKOSA-N 0 3 333.432 2.861 10 5 EFBEHN C[C@H](NCc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC001473325005 1397295633 /nfs/dbraw/zinc/29/56/33/1397295633.db2.gz NDUPBDWLYLPROQ-NSHDSACASA-N 0 3 332.360 2.550 10 5 EFBEHN C/C(=C/C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001479353473 1397701548 /nfs/dbraw/zinc/70/15/48/1397701548.db2.gz HQMPPQJJSJKDDU-JOOMYZJBSA-N 0 3 343.427 2.936 10 5 EFBEHN CCN(CCCNC(=O)c1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479831797 1397927098 /nfs/dbraw/zinc/92/70/98/1397927098.db2.gz QSWPMDIVFAVTCP-UHFFFAOYSA-N 0 3 342.399 2.632 10 5 EFBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cc1F ZINC001493778498 1398879016 /nfs/dbraw/zinc/87/90/16/1398879016.db2.gz ABROYFJRSFWSAY-UHFFFAOYSA-N 0 3 349.337 2.735 10 5 EFBEHN C/C(=C/C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001497534401 1401441227 /nfs/dbraw/zinc/44/12/27/1401441227.db2.gz ATKVFXXVRCOQMC-SYJYLZRKSA-N 0 3 329.400 2.713 10 5 EFBEHN Cc1coc(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001497658530 1401528262 /nfs/dbraw/zinc/52/82/62/1401528262.db2.gz YHPLXGAMLNHANN-IHWYPQMZSA-N 0 3 329.356 2.572 10 5 EFBEHN CC1(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)CC=CC1 ZINC001497675860 1401541652 /nfs/dbraw/zinc/54/16/52/1401541652.db2.gz UJUDXSSJTYXQGR-SNAWJCMRSA-N 0 3 329.400 2.713 10 5 EFBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)c1cccs1 ZINC001498509827 1402152916 /nfs/dbraw/zinc/15/29/16/1402152916.db2.gz JDNAXWQHBPAHJM-UHFFFAOYSA-N 0 3 339.442 2.970 10 5 EFBEHN Cc1occc1C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001501909531 1403870741 /nfs/dbraw/zinc/87/07/41/1403870741.db2.gz AIHMWJOMSCQZBW-UHFFFAOYSA-N 0 3 343.383 2.939 10 5 EFBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001501993134 1403932688 /nfs/dbraw/zinc/93/26/88/1403932688.db2.gz PVVNRMVJYMNGDA-ZSHCYNCHSA-N 0 3 343.427 2.769 10 5 EFBEHN CCN1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001558527602 1415186522 /nfs/dbraw/zinc/18/65/22/1415186522.db2.gz RPXGSOBVQOWYBM-AWEZNQCLSA-N 0 3 337.445 2.533 10 5 EFBEHN Cn1c2ccccc2c(NCCN2CCC(C)(C)C2)c([N+](=O)[O-])c1=O ZINC001559300549 1415237928 /nfs/dbraw/zinc/23/79/28/1415237928.db2.gz VKLPJSIWQMEZOG-UHFFFAOYSA-N 0 3 344.415 2.591 10 5 EFBEHN CN(CCCNC(=O)C(C)(C)C(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001566489896 1415582433 /nfs/dbraw/zinc/58/24/33/1415582433.db2.gz BHLVTARXXFUCMO-UHFFFAOYSA-N 0 3 343.374 2.824 10 5 EFBEHN O=C(CCc1ccoc1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001566787512 1415775219 /nfs/dbraw/zinc/77/52/19/1415775219.db2.gz GZIGCOYQLBDZOU-WKILWMFISA-N 0 3 343.383 2.557 10 5 EFBEHN CC(C)c1oncc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001567584494 1416197778 /nfs/dbraw/zinc/19/77/78/1416197778.db2.gz WHKKCFMNAWRJJZ-UHFFFAOYSA-N 0 3 346.387 2.568 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cn1 ZINC001567592725 1416201280 /nfs/dbraw/zinc/20/12/80/1416201280.db2.gz AJQVWIBVTMOXES-UHFFFAOYSA-N 0 3 348.790 2.505 10 5 EFBEHN CCC1(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001699296519 1417417878 /nfs/dbraw/zinc/41/78/78/1417417878.db2.gz ZXVXDCZOQHTAOS-ARJAWSKDSA-N 0 3 331.416 2.937 10 5 EFBEHN Cc1cncc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001707369775 1418234632 /nfs/dbraw/zinc/23/46/32/1418234632.db2.gz YNGBZTVBJMXALT-UHFFFAOYSA-N 0 3 342.399 2.550 10 5 EFBEHN Cc1ccoc1CC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001712971207 1418310523 /nfs/dbraw/zinc/31/05/23/1418310523.db2.gz RIBOQYMJBXGRFS-UHFFFAOYSA-N 0 3 345.399 2.677 10 5 EFBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C12CCC(CC1)C2 ZINC001714722573 1418614894 /nfs/dbraw/zinc/61/48/94/1418614894.db2.gz GPUMDXKOJMBZQH-UHFFFAOYSA-N 0 3 331.416 2.723 10 5 EFBEHN Cc1cc(C)c(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001716310390 1418765765 /nfs/dbraw/zinc/76/57/65/1418765765.db2.gz FETNUACLGCXOSR-ARJAWSKDSA-N 0 3 342.399 2.616 10 5 EFBEHN O=C(Cc1ccoc1)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001717151149 1419239706 /nfs/dbraw/zinc/23/97/06/1419239706.db2.gz VUVRUSPLIVOODM-UHFFFAOYSA-N 0 3 343.383 2.559 10 5 EFBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)C1(CF)CCC1 ZINC001717157007 1419241963 /nfs/dbraw/zinc/24/19/63/1419241963.db2.gz AMCMNOIZNYVFGK-UHFFFAOYSA-N 0 3 349.406 2.863 10 5 EFBEHN Cc1ccc(C(=O)N(C)CCCNCc2csc([N+](=O)[O-])c2)cn1 ZINC001722975781 1424390990 /nfs/dbraw/zinc/39/09/90/1424390990.db2.gz BNVBVXTZUOIMMP-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN Cc1ncc(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])s1 ZINC001722985169 1424394733 /nfs/dbraw/zinc/39/47/33/1424394733.db2.gz OQYDJVZUXGLTNY-UHFFFAOYSA-N 0 3 348.428 2.612 10 5 EFBEHN CN(CCCN(C)C(=O)C=C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001724848773 1425066007 /nfs/dbraw/zinc/06/60/07/1425066007.db2.gz VBNOTCMSDYCYMB-UHFFFAOYSA-N 0 3 331.416 2.985 10 5 EFBEHN CC(COC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1)[N+](=O)[O-] ZINC000813114784 713635156 /nfs/dbraw/zinc/63/51/56/713635156.db2.gz WNKRJCSDQXFQBP-IUCAKERBSA-N 0 3 348.168 2.975 10 5 EFBEHN Cc1nccn1C[C@@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176083671 715050167 /nfs/dbraw/zinc/05/01/67/715050167.db2.gz ORPUPYGKFQSZOR-INIZCTEOSA-N 0 3 340.387 2.572 10 5 EFBEHN Cc1nccn1C[C@@H]1CCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000176075775 715112632 /nfs/dbraw/zinc/11/26/32/715112632.db2.gz ADROXIBNIQFMDJ-INIZCTEOSA-N 0 3 340.387 2.572 10 5 EFBEHN O=[N+]([O-])c1ccc(-c2ncn(CN3C[C@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000176193239 715179767 /nfs/dbraw/zinc/17/97/67/715179767.db2.gz ZSRKDSPDLYHPFY-HUUCEWRRSA-N 0 3 327.388 2.933 10 5 EFBEHN CC[C@@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000893449130 715519554 /nfs/dbraw/zinc/51/95/54/715519554.db2.gz FMWXASHASQZIMG-JKSUJKDBSA-N 0 3 334.420 2.782 10 5 EFBEHN CC[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC000893452680 715560944 /nfs/dbraw/zinc/56/09/44/715560944.db2.gz WRZWCLKIFYDPOC-ULQDDVLXSA-N 0 3 346.431 2.924 10 5 EFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892775917 719156623 /nfs/dbraw/zinc/15/66/23/719156623.db2.gz DUCJCXLNASWLKA-LVWOJMJRSA-N 0 3 329.400 2.599 10 5 EFBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCOC23CCOCC3)c1 ZINC000925515639 719823951 /nfs/dbraw/zinc/82/39/51/719823951.db2.gz VHSPRNMRIZHVGV-CQSZACIVSA-N 0 3 326.780 2.676 10 5 EFBEHN C[C@@H]1[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000928434947 722862614 /nfs/dbraw/zinc/86/26/14/722862614.db2.gz FQVVRWWUUVCLCC-KOLCDFICSA-N 0 3 343.836 2.549 10 5 EFBEHN COc1ccc(CNC[C@@H](O)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000917418054 727803075 /nfs/dbraw/zinc/80/30/75/727803075.db2.gz XLQMYMHKHCIRAK-OAHLLOKOSA-N 0 3 338.310 2.705 10 5 EFBEHN