smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000574496927 335024034 /nfs/dbraw/zinc/02/40/34/335024034.db2.gz GMAAVWFVVVXNBR-UHFFFAOYSA-N 0 3 298.386 4.182 20 5 CIBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000020085342 170987383 /nfs/dbraw/zinc/98/73/83/170987383.db2.gz NKHUARIZAOUVPO-OLZOCXBDSA-N 0 3 270.332 4.007 20 5 CIBDHN Cc1ccc([C@H](C)N[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000020148629 171037118 /nfs/dbraw/zinc/03/71/18/171037118.db2.gz KKYZCPOBRQAWJT-RYUDHWBXSA-N 0 3 290.388 4.377 20 5 CIBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000037177133 173010576 /nfs/dbraw/zinc/01/05/76/173010576.db2.gz NWILUIDVZVFZFU-WDEREUQCSA-N 0 3 276.361 4.068 20 5 CIBDHN C[C@@H](N[C@@H](C)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000037177132 173010708 /nfs/dbraw/zinc/01/07/08/173010708.db2.gz NWILUIDVZVFZFU-MNOVXSKESA-N 0 3 276.361 4.068 20 5 CIBDHN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000037177131 173010903 /nfs/dbraw/zinc/01/09/03/173010903.db2.gz NWILUIDVZVFZFU-QWRGUYRKSA-N 0 3 276.361 4.068 20 5 CIBDHN Cc1cc(C)cc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000318357448 261056825 /nfs/dbraw/zinc/05/68/25/261056825.db2.gz YLMBRUHZLMRXIF-HNNXBMFYSA-N 0 3 298.386 4.371 20 5 CIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1ccccc1 ZINC000152882241 261070810 /nfs/dbraw/zinc/07/08/10/261070810.db2.gz KVGIVJJRTJFNQL-KGLIPLIRSA-N 0 3 284.359 4.315 20 5 CIBDHN CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000163688610 261325412 /nfs/dbraw/zinc/32/54/12/261325412.db2.gz PTMUGGJTEQOGEM-XJKSGUPXSA-N 0 3 299.374 4.100 20 5 CIBDHN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000163710771 261325967 /nfs/dbraw/zinc/32/59/67/261325967.db2.gz RHWFXNQMIZJQNA-CZUORRHYSA-N 0 3 299.374 4.100 20 5 CIBDHN Cc1cc(C)c(CNCc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000318589075 262006530 /nfs/dbraw/zinc/00/65/30/262006530.db2.gz OFAMVHICWNWTJA-UHFFFAOYSA-N 0 3 298.386 4.118 20 5 CIBDHN CC[C@@H](NC[C@@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000390515865 262202872 /nfs/dbraw/zinc/20/28/72/262202872.db2.gz ALFBQVSAQSQLPP-GXTWGEPZSA-N 0 3 298.333 4.071 20 5 CIBDHN Cc1cccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000020134495 262231758 /nfs/dbraw/zinc/23/17/58/262231758.db2.gz CLYOQHMSCOLINV-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN Cc1ccsc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531700967 328026021 /nfs/dbraw/zinc/02/60/21/328026021.db2.gz RADGPUWFDLYDPQ-LBPRGKRZSA-N 0 3 290.388 4.124 20 5 CIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(C1)CCCCC2 ZINC000303953682 328369706 /nfs/dbraw/zinc/36/97/06/328369706.db2.gz WLSXLZZHCZDOJW-CQSZACIVSA-N 0 3 288.391 4.312 20 5 CIBDHN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000037775499 326861521 /nfs/dbraw/zinc/86/15/21/326861521.db2.gz ZZQUPAFKABLJCC-CXAGYDPISA-N 0 3 284.359 4.397 20 5 CIBDHN CCc1ccccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532234942 328709576 /nfs/dbraw/zinc/70/95/76/328709576.db2.gz QAQFWEAVCSURLF-CQSZACIVSA-N 0 3 298.386 4.316 20 5 CIBDHN CC1(C)C[C@H](NCc2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433155586 330618449 /nfs/dbraw/zinc/61/84/49/330618449.db2.gz YGMVOGCOIJPIGN-KRWDZBQOSA-N 0 3 296.370 4.107 20 5 CIBDHN Cc1ccc(C)c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449350886 330917406 /nfs/dbraw/zinc/91/74/06/330917406.db2.gz XQVVVCLZVGGHTF-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN CCc1cccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000469758915 331457095 /nfs/dbraw/zinc/45/70/95/331457095.db2.gz TZQGEVGOLDLUQZ-AWEZNQCLSA-N 0 3 298.386 4.316 20 5 CIBDHN Cc1ccsc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000481414083 331806213 /nfs/dbraw/zinc/80/62/13/331806213.db2.gz LQDWRTLITDUFIF-LBPRGKRZSA-N 0 3 290.388 4.124 20 5 CIBDHN CC(C)(C)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000490112136 332081864 /nfs/dbraw/zinc/08/18/64/332081864.db2.gz IWONEBNVCWVAEH-KRWDZBQOSA-N 0 3 298.386 4.320 20 5 CIBDHN CC1CC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000494002507 332460444 /nfs/dbraw/zinc/46/04/44/332460444.db2.gz BLIUIMKRDAEDBG-PVCYVWKFSA-N 0 3 296.370 4.072 20 5 CIBDHN CCc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000189833477 333199569 /nfs/dbraw/zinc/19/95/69/333199569.db2.gz SJJHNHBMBWSLHN-CYBMUJFWSA-N 0 3 284.359 4.008 20 5 CIBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(C2CC2)cc1 ZINC000191682686 333223506 /nfs/dbraw/zinc/22/35/06/333223506.db2.gz BHTRWTIMKZUOLH-UHFFFAOYSA-N 0 3 296.370 4.070 20 5 CIBDHN Cc1ccsc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000231884624 333331228 /nfs/dbraw/zinc/33/12/28/333331228.db2.gz RFXWGUIKLGWTTR-LBPRGKRZSA-N 0 3 290.388 4.124 20 5 CIBDHN CC(C)(C)[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000236656252 333374332 /nfs/dbraw/zinc/37/43/32/333374332.db2.gz FYICXAJHYJJQLR-KRWDZBQOSA-N 0 3 298.386 4.472 20 5 CIBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000037770800 333538396 /nfs/dbraw/zinc/53/83/96/333538396.db2.gz KFRLXCJAMDLNDK-UONOGXRCSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1c([C@H](C)N[C@@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000540163008 333716098 /nfs/dbraw/zinc/71/60/98/333716098.db2.gz IAKGAVXMEVXLIB-NWDGAFQWSA-N 0 3 298.333 4.132 20 5 CIBDHN Cc1cccc(C)c1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000546177732 334018528 /nfs/dbraw/zinc/01/85/28/334018528.db2.gz WPNOOUYCTBJASL-OAHLLOKOSA-N 0 3 298.386 4.371 20 5 CIBDHN O=[N+]([O-])c1ccc(CNCc2cccc3ccccc32)cc1 ZINC000077220964 334099244 /nfs/dbraw/zinc/09/92/44/334099244.db2.gz KFANMPXCZFJBSK-UHFFFAOYSA-N 0 3 292.338 4.038 20 5 CIBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(C2CC2)c1 ZINC000551064172 334237685 /nfs/dbraw/zinc/23/76/85/334237685.db2.gz PSCOHVQWNOUDEY-CYBMUJFWSA-N 0 3 296.370 4.323 20 5 CIBDHN C[C@@H](NC1CC(C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000551242642 334242714 /nfs/dbraw/zinc/24/27/14/334242714.db2.gz VIHCLGPJDCCCBE-PNESKVBLSA-N 0 3 276.380 4.070 20 5 CIBDHN Cc1ccccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000157138323 334760617 /nfs/dbraw/zinc/76/06/17/334760617.db2.gz UZLBRILGJXDYHV-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000382156908 336083269 /nfs/dbraw/zinc/08/32/69/336083269.db2.gz TXMJUGOJPOCKTP-AWEZNQCLSA-N 0 3 290.388 4.206 20 5 CIBDHN CCCc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000386972173 336183434 /nfs/dbraw/zinc/18/34/34/336183434.db2.gz YOZJHEURAPLNDJ-AWEZNQCLSA-N 0 3 298.386 4.398 20 5 CIBDHN CC[C@@H](NCc1ccsc1C)c1cccc([N+](=O)[O-])c1 ZINC000293429774 522887368 /nfs/dbraw/zinc/88/73/68/522887368.db2.gz BBXPNIAANJILSG-OAHLLOKOSA-N 0 3 290.388 4.206 20 5 CIBDHN CC[C@@H](NCc1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000094195530 522898277 /nfs/dbraw/zinc/89/82/77/522898277.db2.gz BVLNEOGVGRYRII-CQSZACIVSA-N 0 3 290.388 4.206 20 5 CIBDHN CCc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000051718523 523945696 /nfs/dbraw/zinc/94/56/96/523945696.db2.gz TWEONYVBFDIQCW-LLVKDONJSA-N 0 3 290.388 4.070 20 5 CIBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000020085337 170987529 /nfs/dbraw/zinc/98/75/29/170987529.db2.gz DPMLTXVAVRWPLX-UONOGXRCSA-N 0 3 284.359 4.315 20 5 CIBDHN CCC[C@@H](NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000020139639 171026969 /nfs/dbraw/zinc/02/69/69/171026969.db2.gz ZHSFMTVYYFTVKV-OAHLLOKOSA-N 0 3 290.388 4.287 20 5 CIBDHN Cc1cc([C@H](C)NCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000035253026 172082890 /nfs/dbraw/zinc/08/28/90/172082890.db2.gz FWFHPALZVJILKA-NSHDSACASA-N 0 3 290.388 4.124 20 5 CIBDHN Cc1ccc([C@H](C)N[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000192930795 227390862 /nfs/dbraw/zinc/39/08/62/227390862.db2.gz LWSAKADZNKHSPU-SUMWQHHRSA-N 0 3 296.370 4.241 20 5 CIBDHN CCc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000041631636 260608089 /nfs/dbraw/zinc/60/80/89/260608089.db2.gz RYHWZVSLHLDSME-NSHDSACASA-N 0 3 290.388 4.070 20 5 CIBDHN Cc1cc(C)cc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000318357452 261056657 /nfs/dbraw/zinc/05/66/57/261056657.db2.gz YLMBRUHZLMRXIF-OAHLLOKOSA-N 0 3 298.386 4.371 20 5 CIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1ccccc1 ZINC000152882137 261070420 /nfs/dbraw/zinc/07/04/20/261070420.db2.gz KVGIVJJRTJFNQL-ZIAGYGMSSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000160924005 261231001 /nfs/dbraw/zinc/23/10/01/261231001.db2.gz AVRVFFUFDDYVPF-LBPRGKRZSA-N 0 3 290.388 4.124 20 5 CIBDHN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000163710645 261325971 /nfs/dbraw/zinc/32/59/71/261325971.db2.gz RHWFXNQMIZJQNA-CJNGLKHVSA-N 0 3 299.374 4.100 20 5 CIBDHN CC(C)[C@H](c1ccccc1)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000497359962 262147205 /nfs/dbraw/zinc/14/72/05/262147205.db2.gz BUIRYIDDHUWFDH-GOSISDBHSA-N 0 3 298.386 4.424 20 5 CIBDHN C[C@@H](N[C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122214252 262345734 /nfs/dbraw/zinc/34/57/34/262345734.db2.gz AFVHJKATGMCEGH-FZKQIMNGSA-N 0 3 296.370 4.397 20 5 CIBDHN C[C@H](N[C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122214019 262345773 /nfs/dbraw/zinc/34/57/73/262345773.db2.gz AFVHJKATGMCEGH-SCLBCKFNSA-N 0 3 296.370 4.397 20 5 CIBDHN C[C@H](CCc1ccccc1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000378867733 327762000 /nfs/dbraw/zinc/76/20/00/327762000.db2.gz FYTQCOUXUCWWPB-CABCVRRESA-N 0 3 298.386 4.267 20 5 CIBDHN C[C@@H](CCc1ccccc1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000378867734 327762143 /nfs/dbraw/zinc/76/21/43/327762143.db2.gz FYTQCOUXUCWWPB-GJZGRUSLSA-N 0 3 298.386 4.267 20 5 CIBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000414497302 328189048 /nfs/dbraw/zinc/18/90/48/328189048.db2.gz SLGQJRRIVFFGLR-QGZVFWFLSA-N 0 3 284.359 4.144 20 5 CIBDHN Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000037775566 326861450 /nfs/dbraw/zinc/86/14/50/326861450.db2.gz QJNKVVFHBIKCBD-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN C[C@H](N[C@@H]1c2ccccc2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000536866212 330253044 /nfs/dbraw/zinc/25/30/44/330253044.db2.gz YYXIYZCBIAEYRE-VBHSOAQHSA-N 0 3 296.370 4.179 20 5 CIBDHN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536870119 330265183 /nfs/dbraw/zinc/26/51/83/330265183.db2.gz MUDBQEZBTDCINU-SCLBCKFNSA-N 0 3 296.370 4.241 20 5 CIBDHN O=[N+]([O-])c1ccc(CN[C@H](CC2CC2)c2ccccc2)cc1 ZINC000536883291 330361043 /nfs/dbraw/zinc/36/10/43/330361043.db2.gz QTBAOXVYFCSSDV-GOSISDBHSA-N 0 3 296.370 4.226 20 5 CIBDHN CCc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000195663826 331180346 /nfs/dbraw/zinc/18/03/46/331180346.db2.gz KLQMXEAEHWRJFQ-CQSZACIVSA-N 0 3 298.386 4.316 20 5 CIBDHN CCCc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000479557880 331737554 /nfs/dbraw/zinc/73/75/54/331737554.db2.gz YNOYMZWZWGDSQP-AWEZNQCLSA-N 0 3 298.386 4.398 20 5 CIBDHN CC(C)CN(Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000521189531 333114299 /nfs/dbraw/zinc/11/42/99/333114299.db2.gz GKKBRDZMZCPHLK-UHFFFAOYSA-N 0 3 298.386 4.253 20 5 CIBDHN CCN(Cc1ccc(C)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000521859779 333194067 /nfs/dbraw/zinc/19/40/67/333194067.db2.gz SFGBIZOOFUEUGF-UHFFFAOYSA-N 0 3 298.386 4.234 20 5 CIBDHN Cc1ccsc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000231884621 333331362 /nfs/dbraw/zinc/33/13/62/333331362.db2.gz RFXWGUIKLGWTTR-GFCCVEGCSA-N 0 3 290.388 4.124 20 5 CIBDHN CCCN(CCC)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000303266672 333339607 /nfs/dbraw/zinc/33/96/07/333339607.db2.gz QHNCZYTWIAVOFU-UHFFFAOYSA-N 0 3 294.395 4.004 20 5 CIBDHN CC(C)(C)c1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000236589693 333373895 /nfs/dbraw/zinc/37/38/95/333373895.db2.gz KWHQJNHVERSCMB-UHFFFAOYSA-N 0 3 298.386 4.182 20 5 CIBDHN Cc1c(CNCc2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000236655500 333374393 /nfs/dbraw/zinc/37/43/93/333374393.db2.gz LYIKSIXEPHJUFR-UHFFFAOYSA-N 0 3 298.386 4.316 20 5 CIBDHN Cc1cccc(CC[C@@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000237498811 333379737 /nfs/dbraw/zinc/37/97/37/333379737.db2.gz UGPRGIPGVHRYDR-OAHLLOKOSA-N 0 3 298.386 4.014 20 5 CIBDHN Cc1c(CN[C@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000128064933 333641292 /nfs/dbraw/zinc/64/12/92/333641292.db2.gz IQVBQIQOYWXFJB-GOSISDBHSA-N 0 3 296.370 4.144 20 5 CIBDHN Cc1cccc(C)c1[C@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000546177731 334018561 /nfs/dbraw/zinc/01/85/61/334018561.db2.gz WPNOOUYCTBJASL-HNNXBMFYSA-N 0 3 298.386 4.371 20 5 CIBDHN CC(C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000036823800 519726946 /nfs/dbraw/zinc/72/69/46/519726946.db2.gz BJEHYWMMKYKBRI-UHFFFAOYSA-N 0 3 294.738 4.006 20 5 CIBDHN CCC[C@@H](NCc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000063152328 520784255 /nfs/dbraw/zinc/78/42/55/520784255.db2.gz QXXACVDEIUNXSR-OAHLLOKOSA-N 0 3 290.388 4.287 20 5 CIBDHN CC[C@H](N[C@H](C)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000061360867 522741045 /nfs/dbraw/zinc/74/10/45/522741045.db2.gz NHUAPVXOCFUQPY-ABAIWWIYSA-N 0 3 290.388 4.458 20 5 CIBDHN Cc1ccc([C@@H](C)N[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000192930785 227390682 /nfs/dbraw/zinc/39/06/82/227390682.db2.gz LWSAKADZNKHSPU-CXAGYDPISA-N 0 3 296.370 4.241 20 5 CIBDHN C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000521190183 260378376 /nfs/dbraw/zinc/37/83/76/260378376.db2.gz OQMUPOPKKMFXDS-KWCYVHTRSA-N 0 3 294.420 4.057 20 5 CIBDHN CC[C@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000163749671 261327749 /nfs/dbraw/zinc/32/77/49/261327749.db2.gz PNXCBBNRKYBFIR-IRXDYDNUSA-N 0 3 299.374 4.182 20 5 CIBDHN CC[C@@H](N[C@@H](CC)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000163749914 261327866 /nfs/dbraw/zinc/32/78/66/261327866.db2.gz PNXCBBNRKYBFIR-DLBZAZTESA-N 0 3 299.374 4.182 20 5 CIBDHN C[C@H](NCc1ccc(C2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177608516 261364363 /nfs/dbraw/zinc/36/43/63/261364363.db2.gz ZELQHWRFXHWOCI-ZDUSSCGKSA-N 0 3 296.370 4.323 20 5 CIBDHN C[C@@H](NCc1ccc(C2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177608532 261364408 /nfs/dbraw/zinc/36/44/08/261364408.db2.gz ZELQHWRFXHWOCI-CYBMUJFWSA-N 0 3 296.370 4.323 20 5 CIBDHN CC(C)[C@H](c1ccccc1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000497358747 262145954 /nfs/dbraw/zinc/14/59/54/262145954.db2.gz VWHLYOZGNFQIID-GOSISDBHSA-N 0 3 298.386 4.424 20 5 CIBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCCc2ccccc21 ZINC000120075276 262180356 /nfs/dbraw/zinc/18/03/56/262180356.db2.gz SIBGUIQZRMHZPD-QGZVFWFLSA-N 0 3 296.370 4.152 20 5 CIBDHN Cc1c(CN[C@H]2C[C@H](C)c3ccccc32)cccc1[N+](=O)[O-] ZINC000319965380 262381008 /nfs/dbraw/zinc/38/10/08/262381008.db2.gz CZOHEBLBUOINFO-SJCJKPOMSA-N 0 3 296.370 4.241 20 5 CIBDHN Cc1c(CN[C@@H]2C[C@H](C)c3ccccc32)cccc1[N+](=O)[O-] ZINC000319965404 262381144 /nfs/dbraw/zinc/38/11/44/262381144.db2.gz CZOHEBLBUOINFO-YVEFUNNKSA-N 0 3 296.370 4.241 20 5 CIBDHN C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC000418118081 267257909 /nfs/dbraw/zinc/25/79/09/267257909.db2.gz SIFGRLOHFQJWMP-CYBMUJFWSA-N 0 3 296.370 4.323 20 5 CIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCCc1ccccc1 ZINC000533881703 327231539 /nfs/dbraw/zinc/23/15/39/327231539.db2.gz SKJZQIZOBQBAOC-OAHLLOKOSA-N 0 3 298.386 4.220 20 5 CIBDHN CC[C@H](N[C@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000358322225 328882242 /nfs/dbraw/zinc/88/22/42/328882242.db2.gz SPTKBMDOUKKZQO-JSGCOSHPSA-N 0 3 298.333 4.213 20 5 CIBDHN CCC[C@H](NCCSC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000312388035 330462959 /nfs/dbraw/zinc/46/29/59/330462959.db2.gz FVPQMBFGTKZVPI-HNNXBMFYSA-N 0 3 296.436 4.167 20 5 CIBDHN Cc1cc(C)cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449346896 330916755 /nfs/dbraw/zinc/91/67/55/330916755.db2.gz FBXOBYANOTUAPJ-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN Cc1cccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2C)c1 ZINC000449774657 330949382 /nfs/dbraw/zinc/94/93/82/330949382.db2.gz KXWOTCIPMVBXJW-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN CCc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451101659 331015552 /nfs/dbraw/zinc/01/55/52/331015552.db2.gz FAOUYDWVRWVNJM-ZDUSSCGKSA-N 0 3 284.359 4.008 20 5 CIBDHN CC[C@]1(C)CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464781573 331367758 /nfs/dbraw/zinc/36/77/58/331367758.db2.gz SVYSJGRGCOLZIO-CZUORRHYSA-N 0 3 276.380 4.168 20 5 CIBDHN CCCc1cccc(CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000480482928 331774059 /nfs/dbraw/zinc/77/40/59/331774059.db2.gz STPZQDCAASLVEF-UHFFFAOYSA-N 0 3 298.386 4.146 20 5 CIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](c2ccccc2)C1 ZINC000489308670 332046524 /nfs/dbraw/zinc/04/65/24/332046524.db2.gz VOEJAVXEXAXHAM-ZBFHGGJFSA-N 0 3 296.370 4.145 20 5 CIBDHN CC(C)(C)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000490112137 332081986 /nfs/dbraw/zinc/08/19/86/332081986.db2.gz IWONEBNVCWVAEH-QGZVFWFLSA-N 0 3 298.386 4.320 20 5 CIBDHN O=[N+]([O-])c1cccc([C@H](NC2CCCC2)c2ccccc2)c1 ZINC000491420674 332208666 /nfs/dbraw/zinc/20/86/66/332208666.db2.gz BVGKYAMADXUDLH-GOSISDBHSA-N 0 3 296.370 4.216 20 5 CIBDHN O=[N+]([O-])c1cccc([C@@H](NCCC2CC2)c2ccccc2)c1 ZINC000494028110 332461358 /nfs/dbraw/zinc/46/13/58/332461358.db2.gz JSVSVIGFNXTROG-SFHVURJKSA-N 0 3 296.370 4.074 20 5 CIBDHN CC1(C)C[C@H]1N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494714536 332484336 /nfs/dbraw/zinc/48/43/36/332484336.db2.gz JDDLEXKNCPWHMW-SJORKVTESA-N 0 3 296.370 4.072 20 5 CIBDHN CCCC[C@H](CCC)NCc1csc([N+](=O)[O-])c1 ZINC000226269689 333255818 /nfs/dbraw/zinc/25/58/18/333255818.db2.gz RFUWGNFYJKTGEV-LBPRGKRZSA-N 0 3 270.398 4.105 20 5 CIBDHN C[C@@H]1CCC[C@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000523842137 333347571 /nfs/dbraw/zinc/34/75/71/333347571.db2.gz IODLLZXBRYBVBG-RISCZKNCSA-N 0 3 296.798 4.259 20 5 CIBDHN C[C@H](C1CC1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000524188967 333355970 /nfs/dbraw/zinc/35/59/70/333355970.db2.gz PPDXBTPICJESPY-SNVBAGLBSA-N 0 3 294.782 4.011 20 5 CIBDHN Cc1ccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000037770922 333538519 /nfs/dbraw/zinc/53/85/19/333538519.db2.gz RHSCBWOQFUVCGP-UONOGXRCSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000537938386 333548456 /nfs/dbraw/zinc/54/84/56/333548456.db2.gz XTBBGDILILMDDI-ACJLOTCBSA-N 0 3 296.370 4.241 20 5 CIBDHN C[C@H](N[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000070788178 333829367 /nfs/dbraw/zinc/82/93/67/333829367.db2.gz KVMJOYOUSSBQIE-SCLBCKFNSA-N 0 3 296.370 4.323 20 5 CIBDHN Cc1cc(C)cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000545165529 333965721 /nfs/dbraw/zinc/96/57/21/333965721.db2.gz JSUZCWAQODWHLQ-UHFFFAOYSA-N 0 3 298.386 4.237 20 5 CIBDHN Cc1ccccc1C(C)(C)NCc1cccc([N+](=O)[O-])c1C ZINC000549869678 334207579 /nfs/dbraw/zinc/20/75/79/334207579.db2.gz WYPHPTGADQHQDY-UHFFFAOYSA-N 0 3 298.386 4.237 20 5 CIBDHN Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000154527790 334696912 /nfs/dbraw/zinc/69/69/12/334696912.db2.gz LUJXURAQPYHETR-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN Cc1cc(C)c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000386762111 336178438 /nfs/dbraw/zinc/17/84/38/336178438.db2.gz FOLFEDLDYRVFIJ-HNNXBMFYSA-N 0 3 298.386 4.371 20 5 CIBDHN Cc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192600043 534090706 /nfs/dbraw/zinc/09/07/06/534090706.db2.gz 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ZINC000173399548 261162512 /nfs/dbraw/zinc/16/25/12/261162512.db2.gz XCMLYKZRISXWIJ-UGSOOPFHSA-N 0 3 296.370 4.241 20 5 CIBDHN Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000160924126 261231009 /nfs/dbraw/zinc/23/10/09/261231009.db2.gz AVRVFFUFDDYVPF-GFCCVEGCSA-N 0 3 290.388 4.124 20 5 CIBDHN Cc1cc(NCc2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000301120280 261330124 /nfs/dbraw/zinc/33/01/24/261330124.db2.gz VVCFZWOCOBQCCE-UHFFFAOYSA-N 0 3 293.326 4.064 20 5 CIBDHN Cc1cccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000020134491 262231813 /nfs/dbraw/zinc/23/18/13/262231813.db2.gz CLYOQHMSCOLINV-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN Cc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)s1 ZINC000049183110 328346054 /nfs/dbraw/zinc/34/60/54/328346054.db2.gz INKACJYUZLETQK-LBPRGKRZSA-N 0 3 290.388 4.124 20 5 CIBDHN Cc1ccccc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000049525961 328367681 /nfs/dbraw/zinc/36/76/81/328367681.db2.gz BIHYECQUERYWPX-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN 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284.359 4.144 20 5 CIBDHN Cc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192629448 228196190 /nfs/dbraw/zinc/19/61/90/228196190.db2.gz BSQSKSBYHAGFBG-GOSISDBHSA-N 0 3 296.370 4.070 20 5 CIBDHN CC(C)(CCc1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000317184481 260043326 /nfs/dbraw/zinc/04/33/26/260043326.db2.gz NKRCODRZWOMQJA-UHFFFAOYSA-N 0 3 298.386 4.096 20 5 CIBDHN CC[C@@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000163750036 261327652 /nfs/dbraw/zinc/32/76/52/261327652.db2.gz PNXCBBNRKYBFIR-IAGOWNOFSA-N 0 3 299.374 4.182 20 5 CIBDHN CC[C@@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000163749798 261327876 /nfs/dbraw/zinc/32/78/76/261327876.db2.gz PNXCBBNRKYBFIR-SJORKVTESA-N 0 3 299.374 4.182 20 5 CIBDHN CC[C@H](NC[C@@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000390515866 262202950 /nfs/dbraw/zinc/20/29/50/262202950.db2.gz ALFBQVSAQSQLPP-JSGCOSHPSA-N 0 3 298.333 4.071 20 5 CIBDHN CCC[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000519160628 265347800 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Cc1cc(C)cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000043393631 328789517 /nfs/dbraw/zinc/78/95/17/328789517.db2.gz UMDUVHJDAMHXIC-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN CC[C@@H](N[C@@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000358322227 328882182 /nfs/dbraw/zinc/88/21/82/328882182.db2.gz SPTKBMDOUKKZQO-TZMCWYRMSA-N 0 3 298.333 4.213 20 5 CIBDHN C[C@H](CCc1ccccc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000532899545 329170490 /nfs/dbraw/zinc/17/04/90/329170490.db2.gz JCXBONQYJXEKEL-OAHLLOKOSA-N 0 3 298.386 4.048 20 5 CIBDHN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536831101 330228966 /nfs/dbraw/zinc/22/89/66/330228966.db2.gz FSXSEBSRTROVPA-UGSOOPFHSA-N 0 3 296.370 4.241 20 5 CIBDHN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536831094 330228978 /nfs/dbraw/zinc/22/89/78/330228978.db2.gz FSXSEBSRTROVPA-SCLBCKFNSA-N 0 3 296.370 4.241 20 5 CIBDHN CCC[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000058181162 330385791 /nfs/dbraw/zinc/38/57/91/330385791.db2.gz RGYCKPAUTPLKBZ-KRWDZBQOSA-N 0 3 284.359 4.226 20 5 CIBDHN Cc1ccccc1[C@H](NCc1ccccc1[N+](=O)[O-])C(C)C ZINC000537059470 330394170 /nfs/dbraw/zinc/39/41/70/330394170.db2.gz KDZOFNMMRVIMRE-GOSISDBHSA-N 0 3 298.386 4.390 20 5 CIBDHN Cc1ccccc1[C@@H](NCc1ccccc1[N+](=O)[O-])C(C)C ZINC000537059471 330394231 /nfs/dbraw/zinc/39/42/31/330394231.db2.gz KDZOFNMMRVIMRE-SFHVURJKSA-N 0 3 298.386 4.390 20 5 CIBDHN Cc1cccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000157323129 330773199 /nfs/dbraw/zinc/77/31/99/330773199.db2.gz DJFXGWVGNDPECP-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN CC[C@H](C)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453050763 331084786 /nfs/dbraw/zinc/08/47/86/331084786.db2.gz AHWHCVHXXLOPAI-SUMWQHHRSA-N 0 3 284.359 4.072 20 5 CIBDHN CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000453218907 331102850 /nfs/dbraw/zinc/10/28/50/331102850.db2.gz HGXCWIQTYMLHMO-XHDPSFHLSA-N 0 3 290.388 4.458 20 5 CIBDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000453245772 331106816 /nfs/dbraw/zinc/10/68/16/331106816.db2.gz IKPPBUVLJBAAQJ-SCLBCKFNSA-N 0 3 296.370 4.241 20 5 CIBDHN CC[C@]1(C)CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464775572 331367479 /nfs/dbraw/zinc/36/74/79/331367479.db2.gz MIGNKCHTGXSMNF-XJKSGUPXSA-N 0 3 276.380 4.168 20 5 CIBDHN CCc1cccc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000469784326 331458403 /nfs/dbraw/zinc/45/84/03/331458403.db2.gz XAFKGUPJQLHECJ-GOSISDBHSA-N 0 3 298.386 4.398 20 5 CIBDHN CCCc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000479557881 331737478 /nfs/dbraw/zinc/73/74/78/331737478.db2.gz YNOYMZWZWGDSQP-CQSZACIVSA-N 0 3 298.386 4.398 20 5 CIBDHN Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000481344351 331804333 /nfs/dbraw/zinc/80/43/33/331804333.db2.gz XDSLUMMQNXIJMI-HNNXBMFYSA-N 0 3 298.386 4.371 20 5 CIBDHN O=[N+]([O-])c1cccc([C@H](NCC2CCC2)c2ccccc2)c1 ZINC000490185386 332083989 /nfs/dbraw/zinc/08/39/89/332083989.db2.gz WBJLVHCWBSRLGF-GOSISDBHSA-N 0 3 296.370 4.074 20 5 CIBDHN 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ZINC000090918484 260264339 /nfs/dbraw/zinc/26/43/39/260264339.db2.gz YGWYVXMIQNWJKE-ROUUACIJSA-N 0 3 296.370 4.323 20 5 CIBDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173399534 261162646 /nfs/dbraw/zinc/16/26/46/261162646.db2.gz XCMLYKZRISXWIJ-SCLBCKFNSA-N 0 3 296.370 4.241 20 5 CIBDHN CC(C)[C@H](c1ccccc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000497425231 262159382 /nfs/dbraw/zinc/15/93/82/262159382.db2.gz FNFKDIFBOCORPH-GOSISDBHSA-N 0 3 298.386 4.424 20 5 CIBDHN Cc1cscc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000094877608 265269297 /nfs/dbraw/zinc/26/92/97/265269297.db2.gz KGMZKTXEKIXEDB-GFCCVEGCSA-N 0 3 290.388 4.124 20 5 CIBDHN O=[N+]([O-])c1cccc(CNCc2csc3ccccc23)c1 ZINC000048068574 328040783 /nfs/dbraw/zinc/04/07/83/328040783.db2.gz FEDVAQIGMFDZEA-UHFFFAOYSA-N 0 3 298.367 4.099 20 5 CIBDHN Cc1ccc(C)c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000048327020 328051820 /nfs/dbraw/zinc/05/18/20/328051820.db2.gz CMVVKCVRUVEHET-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN C[C@H](NCCCC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000313267597 327105705 /nfs/dbraw/zinc/10/57/05/327105705.db2.gz KUFYCONMXGZGFD-LBPRGKRZSA-N 0 3 264.369 4.072 20 5 CIBDHN C[C@H](N[C@H]1C=CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000559147279 327143162 /nfs/dbraw/zinc/14/31/62/327143162.db2.gz PWQXNOISFCRTOW-ZFWWWQNUSA-N 0 3 274.364 4.134 20 5 CIBDHN C[C@@H](N[C@@H]1C=CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000559147278 327143234 /nfs/dbraw/zinc/14/32/34/327143234.db2.gz PWQXNOISFCRTOW-UKRRQHHQSA-N 0 3 274.364 4.134 20 5 CIBDHN CC[C@H](NC1(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562874905 327521424 /nfs/dbraw/zinc/52/14/24/327521424.db2.gz PEVURWURYBGEEO-KRWDZBQOSA-N 0 3 296.370 4.325 20 5 CIBDHN Cc1cc(C)c(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000532464536 328780583 /nfs/dbraw/zinc/78/05/83/328780583.db2.gz BTDLYUOVFVWRGY-OAHLLOKOSA-N 0 3 298.386 4.371 20 5 CIBDHN Cc1csc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000394236379 329108187 /nfs/dbraw/zinc/10/81/87/329108187.db2.gz PRFOMODUVYMMTA-LBPRGKRZSA-N 0 3 290.388 4.124 20 5 CIBDHN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000536866211 330253058 /nfs/dbraw/zinc/25/30/58/330253058.db2.gz YYXIYZCBIAEYRE-LXIYXOSZSA-N 0 3 296.370 4.179 20 5 CIBDHN C[C@H](N[C@H]1C[C@H](C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453222219 331103221 /nfs/dbraw/zinc/10/32/21/331103221.db2.gz KYGTZLZAZBVNBD-LXIYXOSZSA-N 0 3 296.370 4.494 20 5 CIBDHN CCc1cccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000469758916 331457106 /nfs/dbraw/zinc/45/71/06/331457106.db2.gz TZQGEVGOLDLUQZ-CQSZACIVSA-N 0 3 298.386 4.316 20 5 CIBDHN Cc1ccc([C@@H](C)NC/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000482959637 331854189 /nfs/dbraw/zinc/85/41/89/331854189.db2.gz KELCNQCISIBZNJ-WUKHSURWSA-N 0 3 296.370 4.267 20 5 CIBDHN CC[C@@H](C)CN(CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000489299492 332045921 /nfs/dbraw/zinc/04/59/21/332045921.db2.gz YBZQKBPJXYUONB-OLZOCXBDSA-N 0 3 264.369 4.024 20 5 CIBDHN CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1(C)CCCC1 ZINC000489846359 332070087 /nfs/dbraw/zinc/07/00/87/332070087.db2.gz WNDRHWGTIJHXLU-UHFFFAOYSA-N 0 3 282.771 4.013 20 5 CIBDHN CC(C)(NC/C=C/c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000492149547 332384649 /nfs/dbraw/zinc/38/46/49/332384649.db2.gz FRHQBOYMIYPRSA-DHZHZOJOSA-N 0 3 296.370 4.133 20 5 CIBDHN CC1(C)C[C@@H]1N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494714533 332484428 /nfs/dbraw/zinc/48/44/28/332484428.db2.gz JDDLEXKNCPWHMW-DLBZAZTESA-N 0 3 296.370 4.072 20 5 CIBDHN Cc1c([C@@H](C)NC/C=C\c2ccccc2)cccc1[N+](=O)[O-] ZINC000495395640 332517001 /nfs/dbraw/zinc/51/70/01/332517001.db2.gz GTSPNQRVQUITMR-YYRKOSNBSA-N 0 3 296.370 4.267 20 5 CIBDHN CC(C)(C)CC(C)(C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000505816038 332753251 /nfs/dbraw/zinc/75/32/51/332753251.db2.gz SMAOVBCISSAIOM-UHFFFAOYSA-N 0 3 282.359 4.038 20 5 CIBDHN CC[C@H](C)[C@@H](C)N(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000513450380 333020249 /nfs/dbraw/zinc/02/02/49/333020249.db2.gz JRVRCRVISUZOEZ-WDEREUQCSA-N 0 3 282.409 4.055 20 5 CIBDHN C[C@H](C1CCCCC1)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000548930648 334180799 /nfs/dbraw/zinc/18/07/99/334180799.db2.gz VTCVUMUQIDZVQR-LLVKDONJSA-N 0 3 282.409 4.057 20 5 CIBDHN C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000550629919 334225658 /nfs/dbraw/zinc/22/56/58/334225658.db2.gz YDXVCOHFCSJCFR-CYBMUJFWSA-N 0 3 296.370 4.323 20 5 CIBDHN CC[C@H](NCc1cc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000344618555 335260289 /nfs/dbraw/zinc/26/02/89/335260289.db2.gz VMGMGEFSMQIYQK-HNNXBMFYSA-N 0 3 290.388 4.206 20 5 CIBDHN CCC[C@H](NCc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000063152326 521167174 /nfs/dbraw/zinc/16/71/74/521167174.db2.gz QXXACVDEIUNXSR-HNNXBMFYSA-N 0 3 290.388 4.287 20 5 CIBDHN Cc1ccsc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000094195532 525860310 /nfs/dbraw/zinc/86/03/10/525860310.db2.gz JQGROAVORJBMFT-LBPRGKRZSA-N 0 3 290.388 4.124 20 5 CIBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000020148647 171036925 /nfs/dbraw/zinc/03/69/25/171036925.db2.gz DDWGVFPUMZXURO-WDEREUQCSA-N 0 3 276.361 4.068 20 5 CIBDHN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000037177134 173010672 /nfs/dbraw/zinc/01/06/72/173010672.db2.gz NWILUIDVZVFZFU-GHMZBOCLSA-N 0 3 276.361 4.068 20 5 CIBDHN C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000521190182 260378349 /nfs/dbraw/zinc/37/83/49/260378349.db2.gz OQMUPOPKKMFXDS-BNOWGMLFSA-N 0 3 294.420 4.057 20 5 CIBDHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173399561 261162205 /nfs/dbraw/zinc/16/22/05/261162205.db2.gz XCMLYKZRISXWIJ-FZKQIMNGSA-N 0 3 296.370 4.241 20 5 CIBDHN CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000163688854 261325399 /nfs/dbraw/zinc/32/53/99/261325399.db2.gz PTMUGGJTEQOGEM-CZUORRHYSA-N 0 3 299.374 4.100 20 5 CIBDHN Cc1c(CN[C@H]2C[C@@H](C)c3ccccc32)cccc1[N+](=O)[O-] ZINC000319965370 262380880 /nfs/dbraw/zinc/38/08/80/262380880.db2.gz CZOHEBLBUOINFO-PXAZEXFGSA-N 0 3 296.370 4.241 20 5 CIBDHN CCC[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000519160629 265347044 /nfs/dbraw/zinc/34/70/44/265347044.db2.gz UKWKYLADZBAKDG-ZDUSSCGKSA-N 0 3 294.395 4.002 20 5 CIBDHN Cc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)s1 ZINC000049183108 328346099 /nfs/dbraw/zinc/34/60/99/328346099.db2.gz INKACJYUZLETQK-GFCCVEGCSA-N 0 3 290.388 4.124 20 5 CIBDHN C[C@H](N[C@H]1c2ccccc2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000536866210 330253049 /nfs/dbraw/zinc/25/30/49/330253049.db2.gz YYXIYZCBIAEYRE-FHSNZYRGSA-N 0 3 296.370 4.179 20 5 CIBDHN Cc1cccc2c1CC[C@H]2N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536872146 330269293 /nfs/dbraw/zinc/26/92/93/330269293.db2.gz SJSQYMVSFZTTFV-FZKQIMNGSA-N 0 3 296.370 4.241 20 5 CIBDHN CC[C@@H](C)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453050755 331084758 /nfs/dbraw/zinc/08/47/58/331084758.db2.gz AHWHCVHXXLOPAI-CXAGYDPISA-N 0 3 284.359 4.072 20 5 CIBDHN Cc1csc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000453321978 331116436 /nfs/dbraw/zinc/11/64/36/331116436.db2.gz QBAMVOQXZJOSMN-LBPRGKRZSA-N 0 3 290.388 4.124 20 5 CIBDHN Cc1csc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000453321977 331116482 /nfs/dbraw/zinc/11/64/82/331116482.db2.gz QBAMVOQXZJOSMN-GFCCVEGCSA-N 0 3 290.388 4.124 20 5 CIBDHN CCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491343959 332193876 /nfs/dbraw/zinc/19/38/76/332193876.db2.gz USQANSDXPTUMHZ-QGZVFWFLSA-N 0 3 284.359 4.074 20 5 CIBDHN O=[N+]([O-])c1cccc([C@@H](NC2CCCC2)c2ccccc2)c1 ZINC000491420675 332208703 /nfs/dbraw/zinc/20/87/03/332208703.db2.gz BVGKYAMADXUDLH-SFHVURJKSA-N 0 3 296.370 4.216 20 5 CIBDHN CCCC[C@@H](CCC)NCc1csc([N+](=O)[O-])c1 ZINC000226269679 333255699 /nfs/dbraw/zinc/25/56/99/333255699.db2.gz RFUWGNFYJKTGEV-GFCCVEGCSA-N 0 3 270.398 4.105 20 5 CIBDHN Cc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000037668308 333535955 /nfs/dbraw/zinc/53/59/55/333535955.db2.gz YDRPMDGNTIVDQU-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN Cc1cccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000037775600 333539229 /nfs/dbraw/zinc/53/92/29/333539229.db2.gz AACZSMXOQUZYLY-UONOGXRCSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1c([C@@H](C)N[C@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000540163007 333716105 /nfs/dbraw/zinc/71/61/05/333716105.db2.gz IAKGAVXMEVXLIB-NEPJUHHUSA-N 0 3 298.333 4.132 20 5 CIBDHN Cc1cccc(C(C)(C)NCc2ccc([N+](=O)[O-])cc2C)c1 ZINC000544595062 333939069 /nfs/dbraw/zinc/93/90/69/333939069.db2.gz WZHXRSOQDZOKQV-UHFFFAOYSA-N 0 3 298.386 4.237 20 5 CIBDHN CC(C)(NC/C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000546578361 334038746 /nfs/dbraw/zinc/03/87/46/334038746.db2.gz NLOWHXZSXSBZCS-TWGQIWQCSA-N 0 3 296.370 4.133 20 5 CIBDHN C[C@@H]1CC[C@@H]1N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552074480 334286279 /nfs/dbraw/zinc/28/62/79/334286279.db2.gz PRHRYXLJFVACRI-JEBQAFNWSA-N 0 3 296.370 4.072 20 5 CIBDHN CCC1(NCc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000382534266 336092796 /nfs/dbraw/zinc/09/27/96/336092796.db2.gz BENSYJSICSVSEL-UHFFFAOYSA-N 0 3 282.771 4.061 20 5 CIBDHN CCC1(NCc2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000382557823 336093740 /nfs/dbraw/zinc/09/37/40/336093740.db2.gz KHCBFHBFPVAHCB-UHFFFAOYSA-N 0 3 282.771 4.061 20 5 CIBDHN Cc1cc(C)c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000386762112 336178558 /nfs/dbraw/zinc/17/85/58/336178558.db2.gz FOLFEDLDYRVFIJ-OAHLLOKOSA-N 0 3 298.386 4.371 20 5 CIBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000037775559 525740685 /nfs/dbraw/zinc/74/06/85/525740685.db2.gz BVJTXLDVEXGHDU-NWDGAFQWSA-N 0 3 290.388 4.377 20 5 CIBDHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020126363 171010128 /nfs/dbraw/zinc/01/01/28/171010128.db2.gz DVXKROWMCAONRT-UONOGXRCSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192600029 228167098 /nfs/dbraw/zinc/16/70/98/228167098.db2.gz XRTQLXIGVHHQFY-GOSISDBHSA-N 0 3 296.370 4.070 20 5 CIBDHN C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000521190184 260378068 /nfs/dbraw/zinc/37/80/68/260378068.db2.gz OQMUPOPKKMFXDS-MRVWCRGKSA-N 0 3 294.420 4.057 20 5 CIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1ccccc1 ZINC000152882059 261070802 /nfs/dbraw/zinc/07/08/02/261070802.db2.gz KVGIVJJRTJFNQL-KBPBESRZSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1cc(C)cc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000107320141 261377275 /nfs/dbraw/zinc/37/72/75/261377275.db2.gz NYIJOUAUCVFMGB-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000160923734 328095154 /nfs/dbraw/zinc/09/51/54/328095154.db2.gz NUFXIVDJCHODHT-GFCCVEGCSA-N 0 3 290.388 4.124 20 5 CIBDHN Cc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000049556690 328373216 /nfs/dbraw/zinc/37/32/16/328373216.db2.gz LEWIPTBYLOXWSN-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN C[C@H](N[C@@H]1C=CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000559147276 327143196 /nfs/dbraw/zinc/14/31/96/327143196.db2.gz PWQXNOISFCRTOW-DZGCQCFKSA-N 0 3 274.364 4.134 20 5 CIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCCc1ccccc1 ZINC000533881702 327231560 /nfs/dbraw/zinc/23/15/60/327231560.db2.gz SKJZQIZOBQBAOC-HNNXBMFYSA-N 0 3 298.386 4.220 20 5 CIBDHN CC(C)C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000441448148 330769055 /nfs/dbraw/zinc/76/90/55/330769055.db2.gz OMYXISDPKGEZSM-CYBMUJFWSA-N 0 3 276.380 4.024 20 5 CIBDHN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453248913 331107190 /nfs/dbraw/zinc/10/71/90/331107190.db2.gz SJSQYMVSFZTTFV-SCLBCKFNSA-N 0 3 296.370 4.241 20 5 CIBDHN CC[C@@]1(C)CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464775569 331367444 /nfs/dbraw/zinc/36/74/44/331367444.db2.gz MIGNKCHTGXSMNF-BBRMVZONSA-N 0 3 276.380 4.168 20 5 CIBDHN CC[C@H](NCc1cc(C)cc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000487516568 331972074 /nfs/dbraw/zinc/97/20/74/331972074.db2.gz GGGRLWCUOOOVRH-SFHVURJKSA-N 0 3 298.386 4.453 20 5 CIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](c2ccccc2)C1 ZINC000489308669 332046590 /nfs/dbraw/zinc/04/65/90/332046590.db2.gz VOEJAVXEXAXHAM-HOCLYGCPSA-N 0 3 296.370 4.145 20 5 CIBDHN C[C@@H](NCc1ccc2occc2c1)c1cccc([N+](=O)[O-])c1 ZINC000512097193 332953664 /nfs/dbraw/zinc/95/36/64/332953664.db2.gz CIAUIMHNTJAXFY-GFCCVEGCSA-N 0 3 296.326 4.192 20 5 CIBDHN CCCc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000513115573 333005022 /nfs/dbraw/zinc/00/50/22/333005022.db2.gz SDIQBRNWYPDJFI-AWEZNQCLSA-N 0 3 298.386 4.398 20 5 CIBDHN CCCc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000513115574 333005058 /nfs/dbraw/zinc/00/50/58/333005058.db2.gz SDIQBRNWYPDJFI-CQSZACIVSA-N 0 3 298.386 4.398 20 5 CIBDHN CC[C@@H](C)[C@@H](C)N(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000513450375 333020199 /nfs/dbraw/zinc/02/01/99/333020199.db2.gz JRVRCRVISUZOEZ-GHMZBOCLSA-N 0 3 282.409 4.055 20 5 CIBDHN Cc1ccc(CNCc2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000191680866 333223518 /nfs/dbraw/zinc/22/35/18/333223518.db2.gz ADDXBZIESWNVMB-UHFFFAOYSA-N 0 3 296.370 4.070 20 5 CIBDHN Cc1c(CN[C@@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000315779924 333383808 /nfs/dbraw/zinc/38/38/08/333383808.db2.gz VRRDVMSXSYEFMN-QGZVFWFLSA-N 0 3 296.370 4.070 20 5 CIBDHN Cc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000037772294 333539126 /nfs/dbraw/zinc/53/91/26/333539126.db2.gz BKQROMHXSNAWII-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000037775702 333539298 /nfs/dbraw/zinc/53/92/98/333539298.db2.gz AHVBHOTYWVBBAX-RISCZKNCSA-N 0 3 290.388 4.458 20 5 CIBDHN Cc1cccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000037775598 333539357 /nfs/dbraw/zinc/53/93/57/333539357.db2.gz AACZSMXOQUZYLY-KBPBESRZSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC/C=C/c1ccccc1 ZINC000540917184 333753381 /nfs/dbraw/zinc/75/33/81/333753381.db2.gz WDBMOWRUGDCKKL-PPYMECGQSA-N 0 3 296.370 4.267 20 5 CIBDHN C[C@@H](N[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000070788187 333829788 /nfs/dbraw/zinc/82/97/88/333829788.db2.gz KVMJOYOUSSBQIE-ACJLOTCBSA-N 0 3 296.370 4.323 20 5 CIBDHN Cc1cccc(C)c1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000546225172 334020241 /nfs/dbraw/zinc/02/02/41/334020241.db2.gz BGPKDEJESVKHBZ-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN O=[N+]([O-])c1cccc(CNCc2cc3ccccc3s2)c1 ZINC000549830871 334206064 /nfs/dbraw/zinc/20/60/64/334206064.db2.gz NOXSJFVDSOJWTC-UHFFFAOYSA-N 0 3 298.367 4.099 20 5 CIBDHN CC[C@@H](NCc1cc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000344618559 335260340 /nfs/dbraw/zinc/26/03/40/335260340.db2.gz VMGMGEFSMQIYQK-OAHLLOKOSA-N 0 3 290.388 4.206 20 5 CIBDHN CCC[C@H](NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000020139642 521165413 /nfs/dbraw/zinc/16/54/13/521165413.db2.gz ZHSFMTVYYFTVKV-HNNXBMFYSA-N 0 3 290.388 4.287 20 5 CIBDHN CCc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000035009772 260003712 /nfs/dbraw/zinc/00/37/12/260003712.db2.gz CBHMDOJLWHZAEN-ZDUSSCGKSA-N 0 3 284.359 4.008 20 5 CIBDHN Cc1ccc([C@H](C)N[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000192930827 227390497 /nfs/dbraw/zinc/39/04/97/227390497.db2.gz LWSAKADZNKHSPU-GUYCJALGSA-N 0 3 296.370 4.241 20 5 CIBDHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177065 260072916 /nfs/dbraw/zinc/07/29/16/260072916.db2.gz KTXJNYFYSZJRCS-UONOGXRCSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1c([C@H](C)N[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000089553189 260445420 /nfs/dbraw/zinc/44/54/20/260445420.db2.gz LQFNVZJWVQPOEV-KGLIPLIRSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1c(CNc2ccnc3ccccc32)cccc1[N+](=O)[O-] ZINC000318420292 261076558 /nfs/dbraw/zinc/07/65/58/261076558.db2.gz YUJOSRSWEKVALY-UHFFFAOYSA-N 0 3 293.326 4.064 20 5 CIBDHN Cc1cc(C)c(CNCc2cccc([N+](=O)[O-])c2C)cc1C ZINC000318480319 261212523 /nfs/dbraw/zinc/21/25/23/261212523.db2.gz GRZHJBUYHZOPJQ-UHFFFAOYSA-N 0 3 298.386 4.118 20 5 CIBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCCCc2ccccc21 ZINC000120075126 262180302 /nfs/dbraw/zinc/18/03/02/262180302.db2.gz SIBGUIQZRMHZPD-KRWDZBQOSA-N 0 3 296.370 4.152 20 5 CIBDHN CC[C@H](Cc1ccccc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000303900962 328365960 /nfs/dbraw/zinc/36/59/60/328365960.db2.gz LKELXPUQDLWEBQ-QGZVFWFLSA-N 0 3 298.386 4.048 20 5 CIBDHN CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000049529329 328367829 /nfs/dbraw/zinc/36/78/29/328367829.db2.gz KRXPSCVMDSZQCI-BXUZGUMPSA-N 0 3 290.388 4.458 20 5 CIBDHN Cc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000532211483 328707679 /nfs/dbraw/zinc/70/76/79/328707679.db2.gz AVRWATFBAYKPEK-HNNXBMFYSA-N 0 3 298.386 4.371 20 5 CIBDHN O=[N+]([O-])c1ccc(CN[C@@H](CC2CC2)c2ccccc2)cc1 ZINC000536883294 330361027 /nfs/dbraw/zinc/36/10/27/330361027.db2.gz QTBAOXVYFCSSDV-SFHVURJKSA-N 0 3 296.370 4.226 20 5 CIBDHN Cc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000120421045 330388600 /nfs/dbraw/zinc/38/86/00/330388600.db2.gz WIACJAGLDPGIEV-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CCCC2)CC1 ZINC000441398724 330767650 /nfs/dbraw/zinc/76/76/50/330767650.db2.gz HRSHWBAVQYPUEC-CQSZACIVSA-N 0 3 288.391 4.312 20 5 CIBDHN CCc1cccc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000469784327 331458509 /nfs/dbraw/zinc/45/85/09/331458509.db2.gz XAFKGUPJQLHECJ-SFHVURJKSA-N 0 3 298.386 4.398 20 5 CIBDHN Cc1ccc(CNCc2cccc(C(C)C)c2)cc1[N+](=O)[O-] ZINC000479400291 331727075 /nfs/dbraw/zinc/72/70/75/331727075.db2.gz XVRKXLRYOUBZKV-UHFFFAOYSA-N 0 3 298.386 4.316 20 5 CIBDHN CCc1ccccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000484173775 331894090 /nfs/dbraw/zinc/89/40/90/331894090.db2.gz IPINOYQSMSBPKI-AWEZNQCLSA-N 0 3 298.386 4.316 20 5 CIBDHN CC[C@@H](NCc1cc(C)cc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000487516566 331972086 /nfs/dbraw/zinc/97/20/86/331972086.db2.gz GGGRLWCUOOOVRH-GOSISDBHSA-N 0 3 298.386 4.453 20 5 CIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](c2ccccc2)C1 ZINC000489308667 332046619 /nfs/dbraw/zinc/04/66/19/332046619.db2.gz VOEJAVXEXAXHAM-GDBMZVCRSA-N 0 3 296.370 4.145 20 5 CIBDHN CC1(C)C[C@@H]1N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494714535 332484376 /nfs/dbraw/zinc/48/43/76/332484376.db2.gz JDDLEXKNCPWHMW-IRXDYDNUSA-N 0 3 296.370 4.072 20 5 CIBDHN C/C(=C\c1ccccc1)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000501385278 332631510 /nfs/dbraw/zinc/63/15/10/332631510.db2.gz CSHRJSVHHJZCII-ATGUSINASA-N 0 3 296.370 4.349 20 5 CIBDHN C[C@@H](N[C@H](c1ccccc1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000266859335 334693578 /nfs/dbraw/zinc/69/35/78/334693578.db2.gz KTNVCPOYHCXURL-FZKQIMNGSA-N 0 3 296.370 4.397 20 5 CIBDHN CCc1ccc(C(C)(C)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000538260641 333581981 /nfs/dbraw/zinc/58/19/81/333581981.db2.gz HLVJXXBBKMLQOT-UHFFFAOYSA-N 0 3 298.386 4.182 20 5 CIBDHN Cc1cccc2c1[C@@H](C)C[C@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000089513427 334346172 /nfs/dbraw/zinc/34/61/72/334346172.db2.gz DEBOIJWDMVYPHB-SUMWQHHRSA-N 0 3 296.370 4.241 20 5 CIBDHN Cc1cc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cs1 ZINC000381824820 336073511 /nfs/dbraw/zinc/07/35/11/336073511.db2.gz WTXIUOIITBBCDE-LBPRGKRZSA-N 0 3 290.388 4.124 20 5 CIBDHN Cc1cc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cs1 ZINC000381824804 336073570 /nfs/dbraw/zinc/07/35/70/336073570.db2.gz WTXIUOIITBBCDE-GFCCVEGCSA-N 0 3 290.388 4.124 20 5 CIBDHN CC[C@@H](N[C@@H](C)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000061360866 522915106 /nfs/dbraw/zinc/91/51/06/522915106.db2.gz NHUAPVXOCFUQPY-XHDPSFHLSA-N 0 3 290.388 4.458 20 5 CIBDHN Cc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000050225205 524590192 /nfs/dbraw/zinc/59/01/92/524590192.db2.gz UPDUUNZXHPMPHK-LBPRGKRZSA-N 0 3 290.388 4.124 20 5 CIBDHN Cc1ccsc1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070091650 525871022 /nfs/dbraw/zinc/87/10/22/525871022.db2.gz JOGKSKBEJUOVOZ-NWDGAFQWSA-N 0 3 290.388 4.377 20 5 CIBDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000049159557 525935140 /nfs/dbraw/zinc/93/51/40/525935140.db2.gz WPZGEZSUPVYNNC-RYUDHWBXSA-N 0 3 290.388 4.377 20 5 CIBDHN Cc1ccc([C@@H](C)N[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000020148630 171037083 /nfs/dbraw/zinc/03/70/83/171037083.db2.gz KKYZCPOBRQAWJT-VXGBXAGGSA-N 0 3 290.388 4.377 20 5 CIBDHN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173399572 261162588 /nfs/dbraw/zinc/16/25/88/261162588.db2.gz XCMLYKZRISXWIJ-ACJLOTCBSA-N 0 3 296.370 4.241 20 5 CIBDHN CC(C)[C@@H](c1ccccc1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000497358748 262145885 /nfs/dbraw/zinc/14/58/85/262145885.db2.gz VWHLYOZGNFQIID-SFHVURJKSA-N 0 3 298.386 4.424 20 5 CIBDHN C[C@H](N[C@@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122213592 262345817 /nfs/dbraw/zinc/34/58/17/262345817.db2.gz AFVHJKATGMCEGH-UGSOOPFHSA-N 0 3 296.370 4.397 20 5 CIBDHN C[C@@H](N[C@H]1C[C@@H](C)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000320199783 262456592 /nfs/dbraw/zinc/45/65/92/262456592.db2.gz SWCPGIZFDWBILK-VFVRVIDISA-N 0 3 296.370 4.494 20 5 CIBDHN Cc1cscc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000094877609 265268815 /nfs/dbraw/zinc/26/88/15/265268815.db2.gz KGMZKTXEKIXEDB-LBPRGKRZSA-N 0 3 290.388 4.124 20 5 CIBDHN O=[N+]([O-])c1ccc(CNCc2csc3ccccc23)cc1 ZINC000048068576 328040979 /nfs/dbraw/zinc/04/09/79/328040979.db2.gz FEPOHSFHRRWQAR-UHFFFAOYSA-N 0 3 298.367 4.099 20 5 CIBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1cccs1 ZINC000049530541 328368097 /nfs/dbraw/zinc/36/80/97/328368097.db2.gz LPBHDFPAGHHNAH-ZDUSSCGKSA-N 0 3 290.388 4.206 20 5 CIBDHN O=[N+]([O-])c1ccc(CNCc2ccc3sccc3c2)cc1 ZINC000558480240 327097532 /nfs/dbraw/zinc/09/75/32/327097532.db2.gz PAHDMVBLJMXIIE-UHFFFAOYSA-N 0 3 298.367 4.099 20 5 CIBDHN C[C@@H](N[C@H]1C=CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000559147277 327143317 /nfs/dbraw/zinc/14/33/17/327143317.db2.gz PWQXNOISFCRTOW-HIFRSBDPSA-N 0 3 274.364 4.134 20 5 CIBDHN C[C@@H](NC[C@@H]1CCCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000331341855 327424114 /nfs/dbraw/zinc/42/41/14/327424114.db2.gz YCFNAVATKPOZLB-NEPJUHHUSA-N 0 3 298.333 4.071 20 5 CIBDHN Cc1cccc(C)c1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160314077 327605372 /nfs/dbraw/zinc/60/53/72/327605372.db2.gz BYSSPGKKXIMZLE-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN Cc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2)cc1C ZINC000051634444 328626342 /nfs/dbraw/zinc/62/63/42/328626342.db2.gz BZRBFGZLAHDXGX-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN CCc1ccccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000052202864 328640795 /nfs/dbraw/zinc/64/07/95/328640795.db2.gz FGAXOZBLOMVEKY-ZDUSSCGKSA-N 0 3 284.359 4.008 20 5 CIBDHN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536872140 330269363 /nfs/dbraw/zinc/26/93/63/330269363.db2.gz SJSQYMVSFZTTFV-ACJLOTCBSA-N 0 3 296.370 4.241 20 5 CIBDHN Cc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000120421199 330388649 /nfs/dbraw/zinc/38/86/49/330388649.db2.gz WIACJAGLDPGIEV-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN Cc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000449348275 330917052 /nfs/dbraw/zinc/91/70/52/330917052.db2.gz LFSZXKAPZDEYSQ-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN CC[C@@H](C)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453050760 331084799 /nfs/dbraw/zinc/08/47/99/331084799.db2.gz AHWHCVHXXLOPAI-DYVFJYSZSA-N 0 3 284.359 4.072 20 5 CIBDHN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000453218905 331102837 /nfs/dbraw/zinc/10/28/37/331102837.db2.gz HGXCWIQTYMLHMO-NHYWBVRUSA-N 0 3 290.388 4.458 20 5 CIBDHN C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453222220 331103282 /nfs/dbraw/zinc/10/32/82/331103282.db2.gz KYGTZLZAZBVNBD-VBHSOAQHSA-N 0 3 296.370 4.494 20 5 CIBDHN CCc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000195663828 331180334 /nfs/dbraw/zinc/18/03/34/331180334.db2.gz KLQMXEAEHWRJFQ-AWEZNQCLSA-N 0 3 298.386 4.316 20 5 CIBDHN CC1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494038202 332461755 /nfs/dbraw/zinc/46/17/55/332461755.db2.gz KANBXRHWLJYPKY-QGZVFWFLSA-N 0 3 296.370 4.074 20 5 CIBDHN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000522536651 333289387 /nfs/dbraw/zinc/28/93/87/333289387.db2.gz ZWWGZVDPFXBOJI-UHFFFAOYSA-N 0 3 282.771 4.013 20 5 CIBDHN O=[N+]([O-])c1ccccc1CN1CCCC2(CCCCC2)C1 ZINC000523588054 333333583 /nfs/dbraw/zinc/33/35/83/333333583.db2.gz OKOMJVSESOIABH-UHFFFAOYSA-N 0 3 288.391 4.141 20 5 CIBDHN CC(C)(C)[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000236717835 333374839 /nfs/dbraw/zinc/37/48/39/333374839.db2.gz LHPYBNHBHIASPJ-QGZVFWFLSA-N 0 3 298.386 4.472 20 5 CIBDHN Cc1ccc([C@@H](C)NC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000237388147 333379233 /nfs/dbraw/zinc/37/92/33/333379233.db2.gz KELCNQCISIBZNJ-RZIFZGNASA-N 0 3 296.370 4.267 20 5 CIBDHN Cc1cccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000037775597 333539341 /nfs/dbraw/zinc/53/93/41/333539341.db2.gz AACZSMXOQUZYLY-KGLIPLIRSA-N 0 3 284.359 4.315 20 5 CIBDHN CC(C)(NC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000538386400 333587473 /nfs/dbraw/zinc/58/74/73/333587473.db2.gz GKERUERCJAAITK-CSKARUKUSA-N 0 3 296.370 4.133 20 5 CIBDHN CS[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000542500747 333828721 /nfs/dbraw/zinc/82/87/21/333828721.db2.gz XIANTNVORXIWBC-RISCZKNCSA-N 0 3 296.436 4.023 20 5 CIBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(C2CC2)c1 ZINC000551064173 334237740 /nfs/dbraw/zinc/23/77/40/334237740.db2.gz PSCOHVQWNOUDEY-ZDUSSCGKSA-N 0 3 296.370 4.323 20 5 CIBDHN CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccncc1 ZINC000163709474 334871912 /nfs/dbraw/zinc/87/19/12/334871912.db2.gz GANRZLORNHLMLA-GUYCJALGSA-N 0 3 299.374 4.100 20 5 CIBDHN CC[C@@H](N[C@H](C)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000061360868 522937689 /nfs/dbraw/zinc/93/76/89/522937689.db2.gz NHUAPVXOCFUQPY-IAQYHMDHSA-N 0 3 290.388 4.458 20 5 CIBDHN Cc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000050225204 524605418 /nfs/dbraw/zinc/60/54/18/524605418.db2.gz UPDUUNZXHPMPHK-GFCCVEGCSA-N 0 3 290.388 4.124 20 5 CIBDHN Cc1ccccc1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020126361 171010217 /nfs/dbraw/zinc/01/02/17/171010217.db2.gz DVXKROWMCAONRT-KBPBESRZSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1ccccc1[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020126360 171010646 /nfs/dbraw/zinc/01/06/46/171010646.db2.gz DVXKROWMCAONRT-KGLIPLIRSA-N 0 3 284.359 4.315 20 5 CIBDHN C[C@@H](N[C@@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000020148644 171036577 /nfs/dbraw/zinc/03/65/77/171036577.db2.gz DDWGVFPUMZXURO-MNOVXSKESA-N 0 3 276.361 4.068 20 5 CIBDHN Cc1cc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000035253020 172082460 /nfs/dbraw/zinc/08/24/60/172082460.db2.gz LXENEYLKHSUEQM-LLVKDONJSA-N 0 3 290.388 4.124 20 5 CIBDHN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192595510 228164399 /nfs/dbraw/zinc/16/43/99/228164399.db2.gz QIFXNKXLTUUMAA-UGSOOPFHSA-N 0 3 296.370 4.323 20 5 CIBDHN Cc1c([C@@H](C)N[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000089553188 260445098 /nfs/dbraw/zinc/44/50/98/260445098.db2.gz LQFNVZJWVQPOEV-ZIAGYGMSSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1c([C@H](C)N[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000089552822 260445445 /nfs/dbraw/zinc/44/54/45/260445445.db2.gz LQFNVZJWVQPOEV-KBPBESRZSA-N 0 3 284.359 4.315 20 5 CIBDHN CC[C@H](NC[C@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000390515867 262202826 /nfs/dbraw/zinc/20/28/26/262202826.db2.gz ALFBQVSAQSQLPP-OCCSQVGLSA-N 0 3 298.333 4.071 20 5 CIBDHN C[C@@H](NC[C@@H]1CCCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000390565015 327880489 /nfs/dbraw/zinc/88/04/89/327880489.db2.gz NIJKKTHNLJMFHT-YPMHNXCESA-N 0 3 298.333 4.071 20 5 CIBDHN CC[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000563419633 328063676 /nfs/dbraw/zinc/06/36/76/328063676.db2.gz YNSCHQZWRKZOAM-IAGOWNOFSA-N 0 3 296.370 4.323 20 5 CIBDHN Cc1cc(C)cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000043393628 328789563 /nfs/dbraw/zinc/78/95/63/328789563.db2.gz UMDUVHJDAMHXIC-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN CCC1(C)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441541699 330770543 /nfs/dbraw/zinc/77/05/43/330770543.db2.gz KKRPKEJJAARWPI-ZDUSSCGKSA-N 0 3 276.380 4.168 20 5 CIBDHN C[C@@H](NC1(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000480671234 331783312 /nfs/dbraw/zinc/78/33/12/331783312.db2.gz RJVVWVRUFKTQLI-CQSZACIVSA-N 0 3 296.370 4.021 20 5 CIBDHN Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000481344352 331804544 /nfs/dbraw/zinc/80/45/44/331804544.db2.gz XDSLUMMQNXIJMI-OAHLLOKOSA-N 0 3 298.386 4.371 20 5 CIBDHN CC(C)(NC/C=C\c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000492149548 332384682 /nfs/dbraw/zinc/38/46/82/332384682.db2.gz FRHQBOYMIYPRSA-FLIBITNWSA-N 0 3 296.370 4.133 20 5 CIBDHN C[C@H](NCc1ccc2occc2c1)c1cccc([N+](=O)[O-])c1 ZINC000512097194 332953633 /nfs/dbraw/zinc/95/36/33/332953633.db2.gz CIAUIMHNTJAXFY-LBPRGKRZSA-N 0 3 296.326 4.192 20 5 CIBDHN CC[C@@H](C)[C@H](C)N(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000513450377 333020212 /nfs/dbraw/zinc/02/02/12/333020212.db2.gz JRVRCRVISUZOEZ-MNOVXSKESA-N 0 3 282.409 4.055 20 5 CIBDHN CC[C@H](C)[C@H](C)N(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000513450379 333020345 /nfs/dbraw/zinc/02/03/45/333020345.db2.gz JRVRCRVISUZOEZ-QWRGUYRKSA-N 0 3 282.409 4.055 20 5 CIBDHN Cc1ccc(C)c([C@H](C)N(C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000524593544 333367720 /nfs/dbraw/zinc/36/77/20/333367720.db2.gz FPIMBMFBOZKZCE-HNNXBMFYSA-N 0 3 298.386 4.405 20 5 CIBDHN Cc1ccc([C@H](C)NC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000237514932 333379996 /nfs/dbraw/zinc/37/99/96/333379996.db2.gz KELCNQCISIBZNJ-PPYMECGQSA-N 0 3 296.370 4.267 20 5 CIBDHN Cc1ccc([C@H](C)N[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000540158652 333715074 /nfs/dbraw/zinc/71/50/74/333715074.db2.gz SEGUSRTTYYDNBD-AAEUAGOBSA-N 0 3 298.333 4.132 20 5 CIBDHN Cc1cscc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000576174336 335165206 /nfs/dbraw/zinc/16/52/06/335165206.db2.gz BICKFENTDZVXBE-GFCCVEGCSA-N 0 3 290.388 4.124 20 5 CIBDHN Cc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000545873838 334003444 /nfs/dbraw/zinc/00/34/44/334003444.db2.gz IIISSLNTWCECDM-UHFFFAOYSA-N 0 3 298.386 4.237 20 5 CIBDHN Cc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000547287268 334076080 /nfs/dbraw/zinc/07/60/80/334076080.db2.gz LMDTYIPICXZMFX-UHFFFAOYSA-N 0 3 298.386 4.237 20 5 CIBDHN CCc1ccc(C(C)(C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000237153052 334082399 /nfs/dbraw/zinc/08/23/99/334082399.db2.gz FLUXUFWUKXVPJS-UHFFFAOYSA-N 0 3 298.386 4.182 20 5 CIBDHN O=[N+]([O-])c1ccc(CNCc2ccc3ccccc3c2)cc1 ZINC000077220963 334099305 /nfs/dbraw/zinc/09/93/05/334099305.db2.gz UTVBNHXVQQDMJT-UHFFFAOYSA-N 0 3 292.338 4.038 20 5 CIBDHN Cc1ccc([C@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000565217189 334545650 /nfs/dbraw/zinc/54/56/50/334545650.db2.gz KXSUSLLTSBDQEE-GUYCJALGSA-N 0 3 296.370 4.241 20 5 CIBDHN Cc1cccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000157248770 334764883 /nfs/dbraw/zinc/76/48/83/334764883.db2.gz PECHNVLGAXCSLI-KBPBESRZSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000037775561 525748125 /nfs/dbraw/zinc/74/81/25/525748125.db2.gz BVJTXLDVEXGHDU-VXGBXAGGSA-N 0 3 290.388 4.377 20 5 CIBDHN Cc1ccc([C@H](C)N[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000020148631 171037014 /nfs/dbraw/zinc/03/70/14/171037014.db2.gz KKYZCPOBRQAWJT-NWDGAFQWSA-N 0 3 290.388 4.377 20 5 CIBDHN Cc1cc([C@@H](C)NCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000035253024 172082630 /nfs/dbraw/zinc/08/26/30/172082630.db2.gz FWFHPALZVJILKA-LLVKDONJSA-N 0 3 290.388 4.124 20 5 CIBDHN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000036964883 172832591 /nfs/dbraw/zinc/83/25/91/172832591.db2.gz HHBRZJKUORGRMK-UHFFFAOYSA-N 0 3 282.771 4.013 20 5 CIBDHN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177066 260072983 /nfs/dbraw/zinc/07/29/83/260072983.db2.gz KTXJNYFYSZJRCS-KBPBESRZSA-N 0 3 284.359 4.315 20 5 CIBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000037176746 260073099 /nfs/dbraw/zinc/07/30/99/260073099.db2.gz AVCJVOFKULGWEL-OLZOCXBDSA-N 0 3 270.332 4.007 20 5 CIBDHN CCc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000035009771 260003846 /nfs/dbraw/zinc/00/38/46/260003846.db2.gz CBHMDOJLWHZAEN-CYBMUJFWSA-N 0 3 284.359 4.008 20 5 CIBDHN CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000163688721 261325345 /nfs/dbraw/zinc/32/53/45/261325345.db2.gz PTMUGGJTEQOGEM-CJNGLKHVSA-N 0 3 299.374 4.100 20 5 CIBDHN Cc1cc(C)cc([C@H](C)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000107320138 261377407 /nfs/dbraw/zinc/37/74/07/261377407.db2.gz CIQFPKXEBVPJPA-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122213797 262345645 /nfs/dbraw/zinc/34/56/45/262345645.db2.gz AFVHJKATGMCEGH-ACJLOTCBSA-N 0 3 296.370 4.397 20 5 CIBDHN CC[C@@H](Cc1ccccc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000303900959 328365896 /nfs/dbraw/zinc/36/58/96/328365896.db2.gz LKELXPUQDLWEBQ-KRWDZBQOSA-N 0 3 298.386 4.048 20 5 CIBDHN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000049529326 328367662 /nfs/dbraw/zinc/36/76/62/328367662.db2.gz KRXPSCVMDSZQCI-FZMZJTMJSA-N 0 3 290.388 4.458 20 5 CIBDHN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000049529328 328367753 /nfs/dbraw/zinc/36/77/53/328367753.db2.gz KRXPSCVMDSZQCI-RISCZKNCSA-N 0 3 290.388 4.458 20 5 CIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(C1)CCCCC2 ZINC000303953680 328369890 /nfs/dbraw/zinc/36/98/90/328369890.db2.gz WLSXLZZHCZDOJW-AWEZNQCLSA-N 0 3 288.391 4.312 20 5 CIBDHN Cc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2)cc1C ZINC000051634442 328626355 /nfs/dbraw/zinc/62/63/55/328626355.db2.gz BZRBFGZLAHDXGX-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN C[C@@H](CCc1ccccc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000532899543 329170675 /nfs/dbraw/zinc/17/06/75/329170675.db2.gz JCXBONQYJXEKEL-HNNXBMFYSA-N 0 3 298.386 4.048 20 5 CIBDHN CC(C)(NCCCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429261400 329183238 /nfs/dbraw/zinc/18/32/38/329183238.db2.gz PSKZMRSWFGICKP-UHFFFAOYSA-N 0 3 298.386 4.052 20 5 CIBDHN CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000036823797 330283900 /nfs/dbraw/zinc/28/39/00/330283900.db2.gz YAKLQPNLSQRMMQ-UHFFFAOYSA-N 0 3 294.738 4.008 20 5 CIBDHN CCC[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000058181165 330385737 /nfs/dbraw/zinc/38/57/37/330385737.db2.gz RGYCKPAUTPLKBZ-QGZVFWFLSA-N 0 3 284.359 4.226 20 5 CIBDHN Cc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000120421525 330388579 /nfs/dbraw/zinc/38/85/79/330388579.db2.gz TXDAIDIDPLXLRM-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN CC(C)C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441439654 330768706 /nfs/dbraw/zinc/76/87/06/330768706.db2.gz UMQLKELNCYPBIQ-CYBMUJFWSA-N 0 3 276.380 4.024 20 5 CIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccccc1C ZINC000468647225 331438247 /nfs/dbraw/zinc/43/82/47/331438247.db2.gz CXWFWMPHOORJQM-GXDHUFHOSA-N 0 3 296.370 4.096 20 5 CIBDHN CC[C@H](C)CN(CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000489299493 332045813 /nfs/dbraw/zinc/04/58/13/332045813.db2.gz YBZQKBPJXYUONB-QWHCGFSZSA-N 0 3 264.369 4.024 20 5 CIBDHN O=[N+]([O-])c1cccc([C@@H](NCC2CCC2)c2ccccc2)c1 ZINC000490185387 332083973 /nfs/dbraw/zinc/08/39/73/332083973.db2.gz WBJLVHCWBSRLGF-SFHVURJKSA-N 0 3 296.370 4.074 20 5 CIBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000513247784 333010853 /nfs/dbraw/zinc/01/08/53/333010853.db2.gz WKTDZUDMXYVVIX-DLBZAZTESA-N 0 3 296.370 4.021 20 5 CIBDHN CCN(Cc1cccs1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183650344 333121453 /nfs/dbraw/zinc/12/14/53/333121453.db2.gz XPGCOTLMRDVNRK-LBPRGKRZSA-N 0 3 290.388 4.239 20 5 CIBDHN Cc1c(CN[C@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000315779922 333383621 /nfs/dbraw/zinc/38/36/21/333383621.db2.gz VRRDVMSXSYEFMN-KRWDZBQOSA-N 0 3 296.370 4.070 20 5 CIBDHN C[C@H](NC1CC(C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000551242641 334242873 /nfs/dbraw/zinc/24/28/73/334242873.db2.gz VIHCLGPJDCCCBE-HIFPTAJRSA-N 0 3 276.380 4.070 20 5 CIBDHN Cc1cccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)c1C ZINC000183727505 335903997 /nfs/dbraw/zinc/90/39/97/335903997.db2.gz FNAMYEPLSVNDBC-OAHLLOKOSA-N 0 3 298.386 4.371 20 5 CIBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000049159552 525741356 /nfs/dbraw/zinc/74/13/56/525741356.db2.gz WPZGEZSUPVYNNC-NWDGAFQWSA-N 0 3 290.388 4.377 20 5 CIBDHN Cc1ccccc1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020126362 171010123 /nfs/dbraw/zinc/01/01/23/171010123.db2.gz DVXKROWMCAONRT-ZIAGYGMSSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1ccccc1[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000034996091 171925145 /nfs/dbraw/zinc/92/51/45/171925145.db2.gz JVTCUSFFWHPHEG-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN Cc1ccc([C@@H](C)N[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000192930813 227391092 /nfs/dbraw/zinc/39/10/92/227391092.db2.gz LWSAKADZNKHSPU-DYVFJYSZSA-N 0 3 296.370 4.241 20 5 CIBDHN Cc1ccccc1[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177068 260072634 /nfs/dbraw/zinc/07/26/34/260072634.db2.gz KTXJNYFYSZJRCS-KGLIPLIRSA-N 0 3 284.359 4.315 20 5 CIBDHN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177067 260072694 /nfs/dbraw/zinc/07/26/94/260072694.db2.gz KTXJNYFYSZJRCS-ZIAGYGMSSA-N 0 3 284.359 4.315 20 5 CIBDHN CC[C@H](N[C@@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000090918483 260263915 /nfs/dbraw/zinc/26/39/15/260263915.db2.gz YGWYVXMIQNWJKE-ZWKOTPCHSA-N 0 3 296.370 4.323 20 5 CIBDHN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000163710553 261326459 /nfs/dbraw/zinc/32/64/59/261326459.db2.gz RHWFXNQMIZJQNA-XJKSGUPXSA-N 0 3 299.374 4.100 20 5 CIBDHN Cc1cc(C)cc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000107320144 261377359 /nfs/dbraw/zinc/37/73/59/261377359.db2.gz NYIJOUAUCVFMGB-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN CC[C@@H](NC[C@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000390515868 262202772 /nfs/dbraw/zinc/20/27/72/262202772.db2.gz ALFBQVSAQSQLPP-TZMCWYRMSA-N 0 3 298.333 4.071 20 5 CIBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000525869074 264763559 /nfs/dbraw/zinc/76/35/59/264763559.db2.gz NURZTBDAHSHXGA-WBVHZDCISA-N 0 3 296.370 4.021 20 5 CIBDHN CC(C)Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000387955881 327821391 /nfs/dbraw/zinc/82/13/91/327821391.db2.gz XMJLBKUMRCCDFB-UHFFFAOYSA-N 0 3 298.386 4.083 20 5 CIBDHN C[C@H](NC[C@H]1CCCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000390565014 327880530 /nfs/dbraw/zinc/88/05/30/327880530.db2.gz NIJKKTHNLJMFHT-WCQYABFASA-N 0 3 298.333 4.071 20 5 CIBDHN CC[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000563419634 328063689 /nfs/dbraw/zinc/06/36/89/328063689.db2.gz YNSCHQZWRKZOAM-SJORKVTESA-N 0 3 296.370 4.323 20 5 CIBDHN CN(C)CCSCc1nc2ccccc2c2ccccc12 ZINC000534518581 328305008 /nfs/dbraw/zinc/30/50/08/328305008.db2.gz BGJSCTPWJIMESL-UHFFFAOYSA-N 0 3 296.439 4.183 20 5 CIBDHN Cc1ccccc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000049525960 328367696 /nfs/dbraw/zinc/36/76/96/328367696.db2.gz BIHYECQUERYWPX-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000037775498 326861367 /nfs/dbraw/zinc/86/13/67/326861367.db2.gz ZZQUPAFKABLJCC-DYVFJYSZSA-N 0 3 284.359 4.397 20 5 CIBDHN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536831091 330228907 /nfs/dbraw/zinc/22/89/07/330228907.db2.gz FSXSEBSRTROVPA-FZKQIMNGSA-N 0 3 296.370 4.241 20 5 CIBDHN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536831083 330229013 /nfs/dbraw/zinc/22/90/13/330229013.db2.gz FSXSEBSRTROVPA-ACJLOTCBSA-N 0 3 296.370 4.241 20 5 CIBDHN CC[C@H](C)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453050762 331084740 /nfs/dbraw/zinc/08/47/40/331084740.db2.gz AHWHCVHXXLOPAI-GUYCJALGSA-N 0 3 284.359 4.072 20 5 CIBDHN C[C@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000459464083 331282846 /nfs/dbraw/zinc/28/28/46/331282846.db2.gz MEIHSQVBZWXZPK-QRTARXTBSA-N 0 3 296.370 4.049 20 5 CIBDHN CC[C@@H](C)CN(CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000489299490 332045991 /nfs/dbraw/zinc/04/59/91/332045991.db2.gz YBZQKBPJXYUONB-CHWSQXEVSA-N 0 3 264.369 4.024 20 5 CIBDHN CC(C)CN(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000521188583 333114372 /nfs/dbraw/zinc/11/43/72/333114372.db2.gz GXBWYKQIVIWCKP-UHFFFAOYSA-N 0 3 298.386 4.253 20 5 CIBDHN Cc1cccc(C(C)(C)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000237618411 333380515 /nfs/dbraw/zinc/38/05/15/333380515.db2.gz IAFLQKGRZVYFBY-UHFFFAOYSA-N 0 3 298.386 4.237 20 5 CIBDHN Cc1ccc([C@@H](C)N[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000540158657 333715325 /nfs/dbraw/zinc/71/53/25/333715325.db2.gz SEGUSRTTYYDNBD-YPMHNXCESA-N 0 3 298.333 4.132 20 5 CIBDHN CC(C)(NC/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000236691987 334065157 /nfs/dbraw/zinc/06/51/57/334065157.db2.gz NLOWHXZSXSBZCS-RMKNXTFCSA-N 0 3 296.370 4.133 20 5 CIBDHN Cc1ccc(C)c(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000237646251 334093513 /nfs/dbraw/zinc/09/35/13/334093513.db2.gz RNYYFUIKZXGKFT-UHFFFAOYSA-N 0 3 298.386 4.237 20 5 CIBDHN C[C@@H]1CC[C@@H]1N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552074478 334286337 /nfs/dbraw/zinc/28/63/37/334286337.db2.gz PRHRYXLJFVACRI-BVGQSLNGSA-N 0 3 296.370 4.072 20 5 CIBDHN Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000154527664 334696788 /nfs/dbraw/zinc/69/67/88/334696788.db2.gz AJVDYHOREMEFMG-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000154527904 334696805 /nfs/dbraw/zinc/69/68/05/334696805.db2.gz LUJXURAQPYHETR-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN Cc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192629462 534716888 /nfs/dbraw/zinc/71/68/88/534716888.db2.gz BSQSKSBYHAGFBG-SFHVURJKSA-N 0 3 296.370 4.070 20 5 CIBDHN CCc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000051718520 523944070 /nfs/dbraw/zinc/94/40/70/523944070.db2.gz TWEONYVBFDIQCW-NSHDSACASA-N 0 3 290.388 4.070 20 5 CIBDHN Cc1ccsc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000094195531 525863021 /nfs/dbraw/zinc/86/30/21/525863021.db2.gz JQGROAVORJBMFT-GFCCVEGCSA-N 0 3 290.388 4.124 20 5 CIBDHN Cc1ccsc1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070091652 525870782 /nfs/dbraw/zinc/87/07/82/525870782.db2.gz JOGKSKBEJUOVOZ-VXGBXAGGSA-N 0 3 290.388 4.377 20 5 CIBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000020148628 171036685 /nfs/dbraw/zinc/03/66/85/171036685.db2.gz KKYZCPOBRQAWJT-NEPJUHHUSA-N 0 3 290.388 4.377 20 5 CIBDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000020148646 171037186 /nfs/dbraw/zinc/03/71/86/171037186.db2.gz DDWGVFPUMZXURO-GHMZBOCLSA-N 0 3 276.361 4.068 20 5 CIBDHN CC(C)[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000035015862 171932859 /nfs/dbraw/zinc/93/28/59/171932859.db2.gz RDZSMXYWDRWDOZ-KRWDZBQOSA-N 0 3 284.359 4.082 20 5 CIBDHN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192595478 228164100 /nfs/dbraw/zinc/16/41/00/228164100.db2.gz QIFXNKXLTUUMAA-SCLBCKFNSA-N 0 3 296.370 4.323 20 5 CIBDHN C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000521190185 260378117 /nfs/dbraw/zinc/37/81/17/260378117.db2.gz OQMUPOPKKMFXDS-XBFCOCLRSA-N 0 3 294.420 4.057 20 5 CIBDHN CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000163688494 261325441 /nfs/dbraw/zinc/32/54/41/261325441.db2.gz PTMUGGJTEQOGEM-BBRMVZONSA-N 0 3 299.374 4.100 20 5 CIBDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000163710442 261325996 /nfs/dbraw/zinc/32/59/96/261325996.db2.gz RHWFXNQMIZJQNA-BBRMVZONSA-N 0 3 299.374 4.100 20 5 CIBDHN CC(C)[C@@H](c1ccccc1)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000497359968 262146727 /nfs/dbraw/zinc/14/67/27/262146727.db2.gz BUIRYIDDHUWFDH-SFHVURJKSA-N 0 3 298.386 4.424 20 5 CIBDHN Cc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000160923876 328095134 /nfs/dbraw/zinc/09/51/34/328095134.db2.gz NUFXIVDJCHODHT-LBPRGKRZSA-N 0 3 290.388 4.124 20 5 CIBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1cccs1 ZINC000049530542 328367953 /nfs/dbraw/zinc/36/79/53/328367953.db2.gz LPBHDFPAGHHNAH-CYBMUJFWSA-N 0 3 290.388 4.206 20 5 CIBDHN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000037775703 326861516 /nfs/dbraw/zinc/86/15/16/326861516.db2.gz AHVBHOTYWVBBAX-BXUZGUMPSA-N 0 3 290.388 4.458 20 5 CIBDHN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000037775497 326861551 /nfs/dbraw/zinc/86/15/51/326861551.db2.gz ZZQUPAFKABLJCC-SUMWQHHRSA-N 0 3 284.359 4.397 20 5 CIBDHN C[C@@H](NC[C@H]1CCCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000331341858 327424179 /nfs/dbraw/zinc/42/41/79/327424179.db2.gz YCFNAVATKPOZLB-VXGBXAGGSA-N 0 3 298.333 4.071 20 5 CIBDHN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000051626763 328626074 /nfs/dbraw/zinc/62/60/74/328626074.db2.gz FMSFJYVBLXJXNH-GUYCJALGSA-N 0 3 284.359 4.397 20 5 CIBDHN Cc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1C ZINC000389308341 328726615 /nfs/dbraw/zinc/72/66/15/328726615.db2.gz AURIXEYSAJSKOT-HNNXBMFYSA-N 0 3 298.386 4.371 20 5 CIBDHN CC[C@@H](N[C@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000358322224 328882186 /nfs/dbraw/zinc/88/21/86/328882186.db2.gz SPTKBMDOUKKZQO-GXTWGEPZSA-N 0 3 298.333 4.213 20 5 CIBDHN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536870122 330265134 /nfs/dbraw/zinc/26/51/34/330265134.db2.gz MUDBQEZBTDCINU-UGSOOPFHSA-N 0 3 296.370 4.241 20 5 CIBDHN Cc1cc(C)c([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000315544492 330477210 /nfs/dbraw/zinc/47/72/10/330477210.db2.gz HYXNLRQJVYMGID-OAHLLOKOSA-N 0 3 298.386 4.371 20 5 CIBDHN C[C@H](N[C@@H]1C[C@H](C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453222221 331103303 /nfs/dbraw/zinc/10/33/03/331103303.db2.gz KYGTZLZAZBVNBD-ZJNRKIDTSA-N 0 3 296.370 4.494 20 5 CIBDHN CC[C@@]1(C)CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464781571 331367903 /nfs/dbraw/zinc/36/79/03/331367903.db2.gz SVYSJGRGCOLZIO-CJNGLKHVSA-N 0 3 276.380 4.168 20 5 CIBDHN O=[N+]([O-])c1cccc([C@H](NCCC2CC2)c2ccccc2)c1 ZINC000494028109 332461453 /nfs/dbraw/zinc/46/14/53/332461453.db2.gz JSVSVIGFNXTROG-GOSISDBHSA-N 0 3 296.370 4.074 20 5 CIBDHN C/C(=C\c1ccccc1)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000501385279 332631514 /nfs/dbraw/zinc/63/15/14/332631514.db2.gz CSHRJSVHHJZCII-GOFCXVBSSA-N 0 3 296.370 4.349 20 5 CIBDHN C[C@H](NC1(c2ccccc2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000173365945 335132723 /nfs/dbraw/zinc/13/27/23/335132723.db2.gz MFQVUUKEGRMBBB-AWEZNQCLSA-N 0 3 296.370 4.325 20 5 CIBDHN C[C@H]1CCC[C@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000523842136 333347689 /nfs/dbraw/zinc/34/76/89/333347689.db2.gz IODLLZXBRYBVBG-FZMZJTMJSA-N 0 3 296.798 4.259 20 5 CIBDHN Cc1cccc(CC[C@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000237322037 333378964 /nfs/dbraw/zinc/37/89/64/333378964.db2.gz UGPRGIPGVHRYDR-HNNXBMFYSA-N 0 3 298.386 4.014 20 5 CIBDHN C[C@H](NCc1cccc(C2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000316438878 333393845 /nfs/dbraw/zinc/39/38/45/333393845.db2.gz MNAAJOWAZLAQMX-ZDUSSCGKSA-N 0 3 296.370 4.323 20 5 CIBDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000037775700 333539243 /nfs/dbraw/zinc/53/92/43/333539243.db2.gz AHVBHOTYWVBBAX-FZMZJTMJSA-N 0 3 290.388 4.458 20 5 CIBDHN CC(C)(NC/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000538386401 333587589 /nfs/dbraw/zinc/58/75/89/333587589.db2.gz GKERUERCJAAITK-NTMALXAHSA-N 0 3 296.370 4.133 20 5 CIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC/C=C\c1ccccc1 ZINC000540917183 333753418 /nfs/dbraw/zinc/75/34/18/333753418.db2.gz WDBMOWRUGDCKKL-AJHXJQRKSA-N 0 3 296.370 4.267 20 5 CIBDHN CS[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000542500738 333828814 /nfs/dbraw/zinc/82/88/14/333828814.db2.gz XIANTNVORXIWBC-BXUZGUMPSA-N 0 3 296.436 4.023 20 5 CIBDHN CS[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000542500749 333828816 /nfs/dbraw/zinc/82/88/16/333828816.db2.gz XIANTNVORXIWBC-SMDDNHRTSA-N 0 3 296.436 4.023 20 5 CIBDHN Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000089513425 334346148 /nfs/dbraw/zinc/34/61/48/334346148.db2.gz DEBOIJWDMVYPHB-GUYCJALGSA-N 0 3 296.370 4.241 20 5 CIBDHN Cc1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000157138771 334760493 /nfs/dbraw/zinc/76/04/93/334760493.db2.gz LGSNFNXSXYXGRD-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN CCc1ccccc1CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000386382454 336171892 /nfs/dbraw/zinc/17/18/92/336171892.db2.gz HVEQCMXBEJALRZ-SFHVURJKSA-N 0 3 298.386 4.398 20 5 CIBDHN Cc1ccsc1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070091651 525886373 /nfs/dbraw/zinc/88/63/73/525886373.db2.gz JOGKSKBEJUOVOZ-RYUDHWBXSA-N 0 3 290.388 4.377 20 5 CIBDHN Cc1cc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000035253022 172082361 /nfs/dbraw/zinc/08/23/61/172082361.db2.gz LXENEYLKHSUEQM-NSHDSACASA-N 0 3 290.388 4.124 20 5 CIBDHN CC(C)[C@@H](c1ccccc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000497425232 262159497 /nfs/dbraw/zinc/15/94/97/262159497.db2.gz FNFKDIFBOCORPH-SFHVURJKSA-N 0 3 298.386 4.424 20 5 CIBDHN Cc1c(CN[C@@H]2C[C@@H](C)c3ccccc32)cccc1[N+](=O)[O-] ZINC000319965392 262381138 /nfs/dbraw/zinc/38/11/38/262381138.db2.gz CZOHEBLBUOINFO-SJKOYZFVSA-N 0 3 296.370 4.241 20 5 CIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1)CCCC2 ZINC000417304110 263794593 /nfs/dbraw/zinc/79/45/93/263794593.db2.gz TYCXJZHHXQHJBM-GOSISDBHSA-N 0 3 296.370 4.152 20 5 CIBDHN Cc1ccc(C)c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000048327019 328051768 /nfs/dbraw/zinc/05/17/68/328051768.db2.gz CMVVKCVRUVEHET-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000414497301 328189097 /nfs/dbraw/zinc/18/90/97/328189097.db2.gz SLGQJRRIVFFGLR-KRWDZBQOSA-N 0 3 284.359 4.144 20 5 CIBDHN Cc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000120421383 330388613 /nfs/dbraw/zinc/38/86/13/330388613.db2.gz TXDAIDIDPLXLRM-AWEZNQCLSA-N 0 3 284.359 4.062 20 5 CIBDHN Cc1cccc(C)c1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000160423423 330865357 /nfs/dbraw/zinc/86/53/57/330865357.db2.gz MVTBOLFGHHJIJG-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000453245774 331106871 /nfs/dbraw/zinc/10/68/71/331106871.db2.gz IKPPBUVLJBAAQJ-UGSOOPFHSA-N 0 3 296.370 4.241 20 5 CIBDHN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453248914 331107276 /nfs/dbraw/zinc/10/72/76/331107276.db2.gz SJSQYMVSFZTTFV-UGSOOPFHSA-N 0 3 296.370 4.241 20 5 CIBDHN C[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000459464079 331282784 /nfs/dbraw/zinc/28/27/84/331282784.db2.gz MEIHSQVBZWXZPK-KMFMINBZSA-N 0 3 296.370 4.049 20 5 CIBDHN CC[C@@]1(C)CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464781569 331367805 /nfs/dbraw/zinc/36/78/05/331367805.db2.gz SVYSJGRGCOLZIO-BBRMVZONSA-N 0 3 276.380 4.168 20 5 CIBDHN CC[C@]1(C)CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464781575 331367815 /nfs/dbraw/zinc/36/78/15/331367815.db2.gz SVYSJGRGCOLZIO-XJKSGUPXSA-N 0 3 276.380 4.168 20 5 CIBDHN CC[C@H](C)CN(CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000489299495 332045835 /nfs/dbraw/zinc/04/58/35/332045835.db2.gz YBZQKBPJXYUONB-STQMWFEESA-N 0 3 264.369 4.024 20 5 CIBDHN CCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491343958 332193811 /nfs/dbraw/zinc/19/38/11/332193811.db2.gz USQANSDXPTUMHZ-KRWDZBQOSA-N 0 3 284.359 4.074 20 5 CIBDHN C[C@@H](NCc1ccc(C2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000190803712 333210973 /nfs/dbraw/zinc/21/09/73/333210973.db2.gz FEEHOGUKJWJEHI-CYBMUJFWSA-N 0 3 296.370 4.323 20 5 CIBDHN CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000522536248 333289368 /nfs/dbraw/zinc/28/93/68/333289368.db2.gz DQQQTWFZYMTTAG-UHFFFAOYSA-N 0 3 296.798 4.403 20 5 CIBDHN C[C@@H](NC1(c2ccccc2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000173365960 335132618 /nfs/dbraw/zinc/13/26/18/335132618.db2.gz MFQVUUKEGRMBBB-CQSZACIVSA-N 0 3 296.370 4.325 20 5 CIBDHN CC(C)(C)[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000236717934 333374814 /nfs/dbraw/zinc/37/48/14/333374814.db2.gz FYICXAJHYJJQLR-QGZVFWFLSA-N 0 3 298.386 4.472 20 5 CIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCC(F)(F)C1 ZINC000540155733 333714587 /nfs/dbraw/zinc/71/45/87/333714587.db2.gz BQLQDNWFTMGZQP-VXGBXAGGSA-N 0 3 298.333 4.132 20 5 CIBDHN C[C@@H](N[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000070788182 333829794 /nfs/dbraw/zinc/82/97/94/333829794.db2.gz KVMJOYOUSSBQIE-FZKQIMNGSA-N 0 3 296.370 4.323 20 5 CIBDHN Cc1cccc(C)c1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000546225173 334020274 /nfs/dbraw/zinc/02/02/74/334020274.db2.gz BGPKDEJESVKHBZ-CQSZACIVSA-N 0 3 284.359 4.062 20 5 CIBDHN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000550629920 334225686 /nfs/dbraw/zinc/22/56/86/334225686.db2.gz YDXVCOHFCSJCFR-ZDUSSCGKSA-N 0 3 296.370 4.323 20 5 CIBDHN C[C@@H]1CC[C@H]1N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552074481 334286381 /nfs/dbraw/zinc/28/63/81/334286381.db2.gz PRHRYXLJFVACRI-XWIAVFTESA-N 0 3 296.370 4.072 20 5 CIBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000382156920 336083169 /nfs/dbraw/zinc/08/31/69/336083169.db2.gz TXMJUGOJPOCKTP-CQSZACIVSA-N 0 3 290.388 4.206 20 5 CIBDHN CC(C)(C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000383649802 336116171 /nfs/dbraw/zinc/11/61/71/336116171.db2.gz IWFANPYRDHLOIP-UHFFFAOYSA-N 0 3 282.359 4.038 20 5 CIBDHN CCCc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000386972174 336183273 /nfs/dbraw/zinc/18/32/73/336183273.db2.gz YOZJHEURAPLNDJ-CQSZACIVSA-N 0 3 298.386 4.398 20 5 CIBDHN