smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000574496927 335024033 /nfs/dbraw/zinc/02/40/33/335024033.db2.gz GMAAVWFVVVXNBR-UHFFFAOYSA-N 1 0 298.386 4.182 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000020085342 170987381 /nfs/dbraw/zinc/98/73/81/170987381.db2.gz NKHUARIZAOUVPO-OLZOCXBDSA-N 1 0 270.332 4.007 20 5 CIBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000020124121 171005741 /nfs/dbraw/zinc/00/57/41/171005741.db2.gz SIWIMLAXIOWALJ-NSHDSACASA-N 1 0 290.750 4.099 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000020148077 171034906 /nfs/dbraw/zinc/03/49/06/171034906.db2.gz KWSXSNSMEQOGIW-NEPJUHHUSA-N 1 0 288.322 4.146 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000020148629 171037117 /nfs/dbraw/zinc/03/71/17/171037117.db2.gz KKYZCPOBRQAWJT-RYUDHWBXSA-N 1 0 290.388 4.377 20 5 CIBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000021501813 171305843 /nfs/dbraw/zinc/30/58/43/171305843.db2.gz VMPDEWZHBVMLGH-KBPBESRZSA-N 1 0 284.359 4.049 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000037177133 173010573 /nfs/dbraw/zinc/01/05/73/173010573.db2.gz NWILUIDVZVFZFU-WDEREUQCSA-N 1 0 276.361 4.068 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000037177132 173010704 /nfs/dbraw/zinc/01/07/04/173010704.db2.gz NWILUIDVZVFZFU-MNOVXSKESA-N 1 0 276.361 4.068 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000037177131 173010901 /nfs/dbraw/zinc/01/09/01/173010901.db2.gz NWILUIDVZVFZFU-QWRGUYRKSA-N 1 0 276.361 4.068 20 5 CIBDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000318357448 261056824 /nfs/dbraw/zinc/05/68/24/261056824.db2.gz YLMBRUHZLMRXIF-HNNXBMFYSA-N 1 0 298.386 4.371 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000152882241 261070809 /nfs/dbraw/zinc/07/08/09/261070809.db2.gz KVGIVJJRTJFNQL-KGLIPLIRSA-N 1 0 284.359 4.315 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000163688610 261325408 /nfs/dbraw/zinc/32/54/08/261325408.db2.gz PTMUGGJTEQOGEM-XJKSGUPXSA-N 1 0 299.374 4.100 20 5 CIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000163710771 261325965 /nfs/dbraw/zinc/32/59/65/261325965.db2.gz RHWFXNQMIZJQNA-CZUORRHYSA-N 1 0 299.374 4.100 20 5 CIBDRO Cc1cc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000318589075 262006527 /nfs/dbraw/zinc/00/65/27/262006527.db2.gz OFAMVHICWNWTJA-UHFFFAOYSA-N 1 0 298.386 4.118 20 5 CIBDRO CC[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000390515865 262202871 /nfs/dbraw/zinc/20/28/71/262202871.db2.gz ALFBQVSAQSQLPP-GXTWGEPZSA-N 1 0 298.333 4.071 20 5 CIBDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000020134495 262231757 /nfs/dbraw/zinc/23/17/57/262231757.db2.gz CLYOQHMSCOLINV-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000020526108 262245290 /nfs/dbraw/zinc/24/52/90/262245290.db2.gz QUBIIHMGIUXTEC-GUIRCDHDSA-N 1 0 276.380 4.070 20 5 CIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000020526109 262245316 /nfs/dbraw/zinc/24/53/16/262245316.db2.gz QUBIIHMGIUXTEC-SFDCQRBFSA-N 1 0 276.380 4.070 20 5 CIBDRO CC[C@H]([NH2+]CCCCCSC)c1cccc([N+](=O)[O-])c1 ZINC000186772191 262324092 /nfs/dbraw/zinc/32/40/92/262324092.db2.gz LFUUWYZBSPLZCO-HNNXBMFYSA-N 1 0 296.436 4.169 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000094322248 265237014 /nfs/dbraw/zinc/23/70/14/265237014.db2.gz DJSDTMOOOXFHRH-WFASDCNBSA-N 1 0 276.380 4.133 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000094322245 265237143 /nfs/dbraw/zinc/23/71/43/265237143.db2.gz DJSDTMOOOXFHRH-IUODEOHRSA-N 1 0 276.380 4.133 20 5 CIBDRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000378924674 327766765 /nfs/dbraw/zinc/76/67/65/327766765.db2.gz RQHGBEKSKJDCHS-HUUCEWRRSA-N 1 0 298.386 4.267 20 5 CIBDRO CCCC1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040675926 328015530 /nfs/dbraw/zinc/01/55/30/328015530.db2.gz LJOSWXVALOFMFX-UHFFFAOYSA-N 1 0 290.407 4.086 20 5 CIBDRO Cc1ccsc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531700967 328026020 /nfs/dbraw/zinc/02/60/20/328026020.db2.gz RADGPUWFDLYDPQ-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000049092684 328336548 /nfs/dbraw/zinc/33/65/48/328336548.db2.gz ZHHPSEGIQQTLOJ-JMSVASOKSA-N 1 0 264.369 4.070 20 5 CIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000303953682 328369704 /nfs/dbraw/zinc/36/97/04/328369704.db2.gz WLSXLZZHCZDOJW-CQSZACIVSA-N 1 0 288.391 4.312 20 5 CIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000303941039 328370892 /nfs/dbraw/zinc/37/08/92/328370892.db2.gz SRQBJPHPPTYXMI-QGZVFWFLSA-N 1 0 298.386 4.048 20 5 CIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000049963042 328379671 /nfs/dbraw/zinc/37/96/71/328379671.db2.gz SMPGMZOLXTWJCF-LLVKDONJSA-N 1 0 290.750 4.099 20 5 CIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000037775499 326861520 /nfs/dbraw/zinc/86/15/20/326861520.db2.gz ZZQUPAFKABLJCC-CXAGYDPISA-N 1 0 284.359 4.397 20 5 CIBDRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000409846058 327166093 /nfs/dbraw/zinc/16/60/93/327166093.db2.gz SVMWFJDCZTWGBG-NWDGAFQWSA-N 1 0 298.333 4.071 20 5 CIBDRO CCC[C@H](CC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537970909 327241050 /nfs/dbraw/zinc/24/10/50/327241050.db2.gz QDOAHVUPTVKMJT-OLZOCXBDSA-N 1 0 264.369 4.133 20 5 CIBDRO CCc1ccccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532234942 328709575 /nfs/dbraw/zinc/70/95/75/328709575.db2.gz QAQFWEAVCSURLF-CQSZACIVSA-N 1 0 298.386 4.316 20 5 CIBDRO CCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532442786 328778860 /nfs/dbraw/zinc/77/88/60/328778860.db2.gz YNQMMAGXMVFZMW-LLVKDONJSA-N 1 0 290.388 4.384 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]CC2(C3CC3)CCC2)cc1[N+](=O)[O-] ZINC000391407983 328978639 /nfs/dbraw/zinc/97/86/39/328978639.db2.gz IJTGMLXHSMCOQL-CYBMUJFWSA-N 1 0 288.391 4.134 20 5 CIBDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433155586 330618448 /nfs/dbraw/zinc/61/84/48/330618448.db2.gz YGMVOGCOIJPIGN-KRWDZBQOSA-N 1 0 296.370 4.107 20 5 CIBDRO Cc1ccc(C)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449350886 330917405 /nfs/dbraw/zinc/91/74/05/330917405.db2.gz XQVVVCLZVGGHTF-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CCC[C@@H]([NH2+][C@H](CC)CSC)c1cccc([N+](=O)[O-])c1 ZINC000164096154 331162287 /nfs/dbraw/zinc/16/22/87/331162287.db2.gz PENDTUSDOQDKBL-UKRRQHHQSA-N 1 0 296.436 4.167 20 5 CIBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000463924422 331354075 /nfs/dbraw/zinc/35/40/75/331354075.db2.gz GRFMBCSZYUHFAQ-FZMZJTMJSA-N 1 0 264.369 4.070 20 5 CIBDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000469758915 331457094 /nfs/dbraw/zinc/45/70/94/331457094.db2.gz TZQGEVGOLDLUQZ-AWEZNQCLSA-N 1 0 298.386 4.316 20 5 CIBDRO Cc1ccsc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000481414083 331806212 /nfs/dbraw/zinc/80/62/12/331806212.db2.gz LQDWRTLITDUFIF-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000483725446 331883122 /nfs/dbraw/zinc/88/31/22/331883122.db2.gz IOGPRGBVWRHXGW-ARLBYUKCSA-N 1 0 288.391 4.214 20 5 CIBDRO CC(C)(C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000490112136 332081862 /nfs/dbraw/zinc/08/18/62/332081862.db2.gz IWONEBNVCWVAEH-KRWDZBQOSA-N 1 0 298.386 4.320 20 5 CIBDRO Cc1cc(C)cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000492241741 332388728 /nfs/dbraw/zinc/38/87/28/332388728.db2.gz QZMHCWQSTXVRQR-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO CC1CC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000494002507 332460443 /nfs/dbraw/zinc/46/04/43/332460443.db2.gz BLIUIMKRDAEDBG-PVCYVWKFSA-N 1 0 296.370 4.072 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+]CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000219860773 333158117 /nfs/dbraw/zinc/15/81/17/333158117.db2.gz AWWAPDYZXAOFIX-HNNXBMFYSA-N 1 0 298.386 4.187 20 5 CIBDRO CSCCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186781398 333164870 /nfs/dbraw/zinc/16/48/70/333164870.db2.gz OZKANQMYMDXLIA-ZDUSSCGKSA-N 1 0 296.436 4.087 20 5 CIBDRO CSCCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186781381 333164927 /nfs/dbraw/zinc/16/49/27/333164927.db2.gz OZKANQMYMDXLIA-CYBMUJFWSA-N 1 0 296.436 4.087 20 5 CIBDRO CCc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000189833477 333199568 /nfs/dbraw/zinc/19/95/68/333199568.db2.gz SJJHNHBMBWSLHN-CYBMUJFWSA-N 1 0 284.359 4.008 20 5 CIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000191682686 333223505 /nfs/dbraw/zinc/22/35/05/333223505.db2.gz BHTRWTIMKZUOLH-UHFFFAOYSA-N 1 0 296.370 4.070 20 5 CIBDRO Cc1ccsc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884624 333331226 /nfs/dbraw/zinc/33/12/26/333331226.db2.gz RFXWGUIKLGWTTR-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000236900295 333376325 /nfs/dbraw/zinc/37/63/25/333376325.db2.gz PAWSZEBPCUZTLA-LLVKDONJSA-N 1 0 290.388 4.211 20 5 CIBDRO Cc1c(C[NH2+][C@H](C)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000237512774 333380072 /nfs/dbraw/zinc/38/00/72/333380072.db2.gz OQMVILZFURNKMR-CQSZACIVSA-N 1 0 298.386 4.014 20 5 CIBDRO CC(C)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000037562822 333534898 /nfs/dbraw/zinc/53/48/98/333534898.db2.gz ZZJCZJQFGYSCCK-OAHLLOKOSA-N 1 0 290.388 4.143 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000037770800 333538395 /nfs/dbraw/zinc/53/83/95/333538395.db2.gz KFRLXCJAMDLNDK-UONOGXRCSA-N 1 0 284.359 4.315 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037775589 333539236 /nfs/dbraw/zinc/53/92/36/333539236.db2.gz BPQXCJDPCPPOKP-STQMWFEESA-N 1 0 276.380 4.214 20 5 CIBDRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000037775531 333539337 /nfs/dbraw/zinc/53/93/37/333539337.db2.gz PQXKZLPOLDLKNC-AVGNSLFASA-N 1 0 276.380 4.070 20 5 CIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000540163008 333716097 /nfs/dbraw/zinc/71/60/97/333716097.db2.gz IAKGAVXMEVXLIB-NWDGAFQWSA-N 1 0 298.333 4.132 20 5 CIBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000546177732 334018526 /nfs/dbraw/zinc/01/85/26/334018526.db2.gz WPNOOUYCTBJASL-OAHLLOKOSA-N 1 0 298.386 4.371 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000546692008 334046317 /nfs/dbraw/zinc/04/63/17/334046317.db2.gz MFELMNVGFAMQAR-OLZOCXBDSA-N 1 0 276.380 4.133 20 5 CIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3ccccc32)cc1 ZINC000077220964 334099241 /nfs/dbraw/zinc/09/92/41/334099241.db2.gz KFANMPXCZFJBSK-UHFFFAOYSA-N 1 0 292.338 4.038 20 5 CIBDRO Cc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000549169508 334186858 /nfs/dbraw/zinc/18/68/58/334186858.db2.gz ZPWRFNWHSOCOAH-UHFFFAOYSA-N 1 0 296.370 4.068 20 5 CIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C2CC2)c1 ZINC000551064172 334237684 /nfs/dbraw/zinc/23/76/84/334237684.db2.gz PSCOHVQWNOUDEY-CYBMUJFWSA-N 1 0 296.370 4.323 20 5 CIBDRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000551242642 334242713 /nfs/dbraw/zinc/24/27/13/334242713.db2.gz VIHCLGPJDCCCBE-PNESKVBLSA-N 1 0 276.380 4.070 20 5 CIBDRO C[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552904451 334350108 /nfs/dbraw/zinc/35/01/08/334350108.db2.gz HSIHBZKFCCJPPZ-XCRHUMRWSA-N 1 0 296.370 4.049 20 5 CIBDRO Cc1ccccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000157138323 334760615 /nfs/dbraw/zinc/76/06/15/334760615.db2.gz UZLBRILGJXDYHV-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CCC[C@@H]([NH2+]C1(C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000576296839 335186220 /nfs/dbraw/zinc/18/62/20/335186220.db2.gz BZOHNXOOKQVURE-OAHLLOKOSA-N 1 0 276.380 4.214 20 5 CIBDRO C[C@@H]([NH2+]Cc1sccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000193012712 335333764 /nfs/dbraw/zinc/33/37/64/335333764.db2.gz NEYGUSSDIKRECM-SECBINFHSA-N 1 0 296.779 4.161 20 5 CIBDRO CC[C@@H]([NH2+]CC1(C2CC2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358343116 335803104 /nfs/dbraw/zinc/80/31/04/335803104.db2.gz RHSCUWMJEZLVOJ-MRXNPFEDSA-N 1 0 288.391 4.216 20 5 CIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000382156908 336083267 /nfs/dbraw/zinc/08/32/67/336083267.db2.gz TXMJUGOJPOCKTP-AWEZNQCLSA-N 1 0 290.388 4.206 20 5 CIBDRO CCCc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000386972173 336183432 /nfs/dbraw/zinc/18/34/32/336183432.db2.gz YOZJHEURAPLNDJ-AWEZNQCLSA-N 1 0 298.386 4.398 20 5 CIBDRO CC(C)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000387329750 336192507 /nfs/dbraw/zinc/19/25/07/336192507.db2.gz ADMFCDFXBSYYEA-KRWDZBQOSA-N 1 0 298.386 4.472 20 5 CIBDRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000050401050 520688600 /nfs/dbraw/zinc/68/86/00/520688600.db2.gz YJJUDPMBJKXKPS-GXTWGEPZSA-N 1 0 264.369 4.133 20 5 CIBDRO CCC[C@H](CC)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000050401057 521083411 /nfs/dbraw/zinc/08/34/11/521083411.db2.gz YJJUDPMBJKXKPS-OCCSQVGLSA-N 1 0 264.369 4.133 20 5 CIBDRO CC[C@@H]([NH2+]Cc1ccsc1C)c1cccc([N+](=O)[O-])c1 ZINC000293429774 522887357 /nfs/dbraw/zinc/88/73/57/522887357.db2.gz BBXPNIAANJILSG-OAHLLOKOSA-N 1 0 290.388 4.206 20 5 CIBDRO CC[C@@H]([NH2+]Cc1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000094195530 522898256 /nfs/dbraw/zinc/89/82/56/522898256.db2.gz BVLNEOGVGRYRII-CQSZACIVSA-N 1 0 290.388 4.206 20 5 CIBDRO CCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000051718523 523945688 /nfs/dbraw/zinc/94/56/88/523945688.db2.gz TWEONYVBFDIQCW-LLVKDONJSA-N 1 0 290.388 4.070 20 5 CIBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000037122815 525467187 /nfs/dbraw/zinc/46/71/87/525467187.db2.gz GZSFOYADAMKPOB-LLVKDONJSA-N 1 0 290.388 4.124 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccsc2)cc1[N+](=O)[O-] ZINC000061360962 525942707 /nfs/dbraw/zinc/94/27/07/525942707.db2.gz PEUWULRUXFGNBO-NWDGAFQWSA-N 1 0 290.388 4.377 20 5 CIBDRO CC[C@H]([NH2+][C@H](C)c1cc(C)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000353517006 529666239 /nfs/dbraw/zinc/66/62/39/529666239.db2.gz HMHGPAQCJHBFSG-CJNGLKHVSA-N 1 0 299.374 4.100 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000020085337 170987528 /nfs/dbraw/zinc/98/75/28/170987528.db2.gz DPMLTXVAVRWPLX-UONOGXRCSA-N 1 0 284.359 4.315 20 5 CIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000020122020 171002341 /nfs/dbraw/zinc/00/23/41/171002341.db2.gz VBXPFHLMFOMMFA-NSHDSACASA-N 1 0 290.750 4.099 20 5 CIBDRO CCC[C@@H]([NH2+]Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000020139639 171026968 /nfs/dbraw/zinc/02/69/68/171026968.db2.gz ZHSFMTVYYFTVKV-OAHLLOKOSA-N 1 0 290.388 4.287 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000020525897 171238952 /nfs/dbraw/zinc/23/89/52/171238952.db2.gz WWLAAIFHZBULEY-STQMWFEESA-N 1 0 270.332 4.007 20 5 CIBDRO C[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000021501816 171305968 /nfs/dbraw/zinc/30/59/68/171305968.db2.gz VMPDEWZHBVMLGH-UONOGXRCSA-N 1 0 284.359 4.049 20 5 CIBDRO Cc1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000035253026 172082888 /nfs/dbraw/zinc/08/28/88/172082888.db2.gz FWFHPALZVJILKA-NSHDSACASA-N 1 0 290.388 4.124 20 5 CIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000035368216 172159730 /nfs/dbraw/zinc/15/97/30/172159730.db2.gz METORFDXGYRMNU-VIFPVBQESA-N 1 0 296.779 4.161 20 5 CIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000035368217 172159959 /nfs/dbraw/zinc/15/99/59/172159959.db2.gz METORFDXGYRMNU-SECBINFHSA-N 1 0 296.779 4.161 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000192930795 227390857 /nfs/dbraw/zinc/39/08/57/227390857.db2.gz LWSAKADZNKHSPU-SUMWQHHRSA-N 1 0 296.370 4.241 20 5 CIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352570365 227071574 /nfs/dbraw/zinc/07/15/74/227071574.db2.gz GMCOWTGPYXGGNA-ZDUSSCGKSA-N 1 0 298.342 4.038 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000037764729 260116626 /nfs/dbraw/zinc/11/66/26/260116626.db2.gz PKHNQQMYGBONHC-NWDGAFQWSA-N 1 0 288.322 4.146 20 5 CIBDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000041631636 260608088 /nfs/dbraw/zinc/60/80/88/260608088.db2.gz RYHWZVSLHLDSME-NSHDSACASA-N 1 0 290.388 4.070 20 5 CIBDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000318357452 261056656 /nfs/dbraw/zinc/05/66/56/261056656.db2.gz YLMBRUHZLMRXIF-OAHLLOKOSA-N 1 0 298.386 4.371 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000152882137 261070418 /nfs/dbraw/zinc/07/04/18/261070418.db2.gz KVGIVJJRTJFNQL-ZIAGYGMSSA-N 1 0 284.359 4.315 20 5 CIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000160924005 261230996 /nfs/dbraw/zinc/23/09/96/261230996.db2.gz AVRVFFUFDDYVPF-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000163710645 261325969 /nfs/dbraw/zinc/32/59/69/261325969.db2.gz RHWFXNQMIZJQNA-CJNGLKHVSA-N 1 0 299.374 4.100 20 5 CIBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000497359962 262147201 /nfs/dbraw/zinc/14/72/01/262147201.db2.gz BUIRYIDDHUWFDH-GOSISDBHSA-N 1 0 298.386 4.424 20 5 CIBDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122214252 262345732 /nfs/dbraw/zinc/34/57/32/262345732.db2.gz AFVHJKATGMCEGH-FZKQIMNGSA-N 1 0 296.370 4.397 20 5 CIBDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122214019 262345770 /nfs/dbraw/zinc/34/57/70/262345770.db2.gz AFVHJKATGMCEGH-SCLBCKFNSA-N 1 0 296.370 4.397 20 5 CIBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000484505899 267347494 /nfs/dbraw/zinc/34/74/94/267347494.db2.gz WUUHAJSJJFUKJE-GZBFAFLISA-N 1 0 276.380 4.133 20 5 CIBDRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000378867733 327761997 /nfs/dbraw/zinc/76/19/97/327761997.db2.gz FYTQCOUXUCWWPB-CABCVRRESA-N 1 0 298.386 4.267 20 5 CIBDRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000378867734 327762142 /nfs/dbraw/zinc/76/21/42/327762142.db2.gz FYTQCOUXUCWWPB-GJZGRUSLSA-N 1 0 298.386 4.267 20 5 CIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000414497302 328189046 /nfs/dbraw/zinc/18/90/46/328189046.db2.gz SLGQJRRIVFFGLR-QGZVFWFLSA-N 1 0 284.359 4.144 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC000050015546 328381797 /nfs/dbraw/zinc/38/17/97/328381797.db2.gz PNJANOAXJPJWNQ-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000037775566 326861448 /nfs/dbraw/zinc/86/14/48/326861448.db2.gz QJNKVVFHBIKCBD-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000409846057 327165976 /nfs/dbraw/zinc/16/59/76/327165976.db2.gz SVMWFJDCZTWGBG-NEPJUHHUSA-N 1 0 298.333 4.071 20 5 CIBDRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000409865470 327166298 /nfs/dbraw/zinc/16/62/98/327166298.db2.gz FLKGDVJHCJFNCN-RYUDHWBXSA-N 1 0 298.333 4.071 20 5 CIBDRO Cc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000035257290 330244836 /nfs/dbraw/zinc/24/48/36/330244836.db2.gz WZBFBDJBDLEALL-UHFFFAOYSA-N 1 0 278.396 4.208 20 5 CIBDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000536866212 330253043 /nfs/dbraw/zinc/25/30/43/330253043.db2.gz YYXIYZCBIAEYRE-VBHSOAQHSA-N 1 0 296.370 4.179 20 5 CIBDRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536870119 330265181 /nfs/dbraw/zinc/26/51/81/330265181.db2.gz MUDBQEZBTDCINU-SCLBCKFNSA-N 1 0 296.370 4.241 20 5 CIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CC2CC2)c2ccccc2)cc1 ZINC000536883291 330361042 /nfs/dbraw/zinc/36/10/42/330361042.db2.gz QTBAOXVYFCSSDV-GOSISDBHSA-N 1 0 296.370 4.226 20 5 CIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC(C)(F)F ZINC000449352180 330917652 /nfs/dbraw/zinc/91/76/52/330917652.db2.gz UQIVKEMWIIFGET-FMIVXFBMSA-N 1 0 298.333 4.023 20 5 CIBDRO CC[C@H]([NH2+]CCC1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000453445401 331132178 /nfs/dbraw/zinc/13/21/78/331132178.db2.gz YLAVAFCWLIZTEK-AWEZNQCLSA-N 1 0 298.333 4.071 20 5 CIBDRO CCc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000195663826 331180345 /nfs/dbraw/zinc/18/03/45/331180345.db2.gz KLQMXEAEHWRJFQ-CQSZACIVSA-N 1 0 298.386 4.316 20 5 CIBDRO C[C@@H](Nc1cc2c(c[nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000462950708 331335846 /nfs/dbraw/zinc/33/58/46/331335846.db2.gz PCTDKSXSWGEONQ-GFCCVEGCSA-N 1 0 297.358 4.042 20 5 CIBDRO CCCc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000479557880 331737552 /nfs/dbraw/zinc/73/75/52/331737552.db2.gz YNOYMZWZWGDSQP-AWEZNQCLSA-N 1 0 298.386 4.398 20 5 CIBDRO Cc1cccc(C[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000488399646 332003974 /nfs/dbraw/zinc/00/39/74/332003974.db2.gz QPXVLHYZLMKRCI-CQSZACIVSA-N 1 0 284.359 4.096 20 5 CIBDRO Cc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1C ZINC000492337143 332393230 /nfs/dbraw/zinc/39/32/30/332393230.db2.gz YDHVCKAKNPGDBS-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000088294986 333087706 /nfs/dbraw/zinc/08/77/06/333087706.db2.gz ZROVCAVDRCQPOX-AVGNSLFASA-N 1 0 264.369 4.070 20 5 CIBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000517551791 333102345 /nfs/dbraw/zinc/10/23/45/333102345.db2.gz VYJCEQHOGNRXSE-HOCLYGCPSA-N 1 0 276.380 4.043 20 5 CIBDRO CC[N@H+](Cc1ccc(C)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000521859779 333194063 /nfs/dbraw/zinc/19/40/63/333194063.db2.gz SFGBIZOOFUEUGF-UHFFFAOYSA-N 1 0 298.386 4.234 20 5 CIBDRO Cc1cc(C)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000195689422 333260586 /nfs/dbraw/zinc/26/05/86/333260586.db2.gz CAESKEMQJRMGOF-UHFFFAOYSA-N 1 0 298.386 4.152 20 5 CIBDRO Cc1ccsc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884621 333331360 /nfs/dbraw/zinc/33/13/60/333331360.db2.gz RFXWGUIKLGWTTR-GFCCVEGCSA-N 1 0 290.388 4.124 20 5 CIBDRO CCC[NH+](CCC)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000303266672 333339604 /nfs/dbraw/zinc/33/96/04/333339604.db2.gz QHNCZYTWIAVOFU-UHFFFAOYSA-N 1 0 294.395 4.004 20 5 CIBDRO CC(C)(C)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000236589693 333373894 /nfs/dbraw/zinc/37/38/94/333373894.db2.gz KWHQJNHVERSCMB-UHFFFAOYSA-N 1 0 298.386 4.182 20 5 CIBDRO Cc1cccc(CC[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000237498811 333379734 /nfs/dbraw/zinc/37/97/34/333379734.db2.gz UGPRGIPGVHRYDR-OAHLLOKOSA-N 1 0 298.386 4.014 20 5 CIBDRO Cc1c(C[NH2+][C@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000128064933 333641289 /nfs/dbraw/zinc/64/12/89/333641289.db2.gz IQVBQIQOYWXFJB-GOSISDBHSA-N 1 0 296.370 4.144 20 5 CIBDRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000545980540 334010230 /nfs/dbraw/zinc/01/02/30/334010230.db2.gz DXYASOVBKVVQTJ-NVPAJSRCSA-N 1 0 296.370 4.192 20 5 CIBDRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000546177731 334018559 /nfs/dbraw/zinc/01/85/59/334018559.db2.gz WPNOOUYCTBJASL-HNNXBMFYSA-N 1 0 298.386 4.371 20 5 CIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1=CCCC1 ZINC000547363069 334083607 /nfs/dbraw/zinc/08/36/07/334083607.db2.gz HQIFMQHSGJBQIM-CQSZACIVSA-N 1 0 288.391 4.006 20 5 CIBDRO C[C@@H]([NH2+]CCCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000313275132 334763370 /nfs/dbraw/zinc/76/33/70/334763370.db2.gz VUEKKFHVNQGGMU-GFCCVEGCSA-N 1 0 264.369 4.072 20 5 CIBDRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000157269334 334765285 /nfs/dbraw/zinc/76/52/85/334765285.db2.gz PXKUCBCCIICSRY-UONOGXRCSA-N 1 0 284.359 4.315 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000581706138 336131912 /nfs/dbraw/zinc/13/19/12/336131912.db2.gz BDPWRKMGNBNONN-ZDUSSCGKSA-N 1 0 288.391 4.277 20 5 CIBDRO CC(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000036823800 519726943 /nfs/dbraw/zinc/72/69/43/519726943.db2.gz BJEHYWMMKYKBRI-UHFFFAOYSA-N 1 0 294.738 4.006 20 5 CIBDRO CC(C)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000044317990 519836324 /nfs/dbraw/zinc/83/63/24/519836324.db2.gz XIEBNUOVVMHLNF-UHFFFAOYSA-N 1 0 284.359 4.008 20 5 CIBDRO CCC[C@@H]([NH2+]Cc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000063152328 520784245 /nfs/dbraw/zinc/78/42/45/520784245.db2.gz QXXACVDEIUNXSR-OAHLLOKOSA-N 1 0 290.388 4.287 20 5 CIBDRO CC[C@H]([NH2+][C@H](C)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000061360867 522741037 /nfs/dbraw/zinc/74/10/37/522741037.db2.gz NHUAPVXOCFUQPY-ABAIWWIYSA-N 1 0 290.388 4.458 20 5 CIBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000044729615 525470949 /nfs/dbraw/zinc/47/09/49/525470949.db2.gz DMESEJLSBBWABB-NWDGAFQWSA-N 1 0 288.347 4.216 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000061361137 525530950 /nfs/dbraw/zinc/53/09/50/525530950.db2.gz POYARJKNZDLYQY-QWRGUYRKSA-N 1 0 276.361 4.068 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000036959935 525940893 /nfs/dbraw/zinc/94/08/93/525940893.db2.gz PNKLSAZJXCAEQN-OLZOCXBDSA-N 1 0 288.347 4.216 20 5 CIBDRO CC[C@@H]([NH2+][C@H](C)c1cc(C)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000353517010 529205180 /nfs/dbraw/zinc/20/51/80/529205180.db2.gz HMHGPAQCJHBFSG-CZUORRHYSA-N 1 0 299.374 4.100 20 5 CIBDRO CC[C@@H]([NH2+][C@H]1CCC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000353348095 529207060 /nfs/dbraw/zinc/20/70/60/529207060.db2.gz WYELZJCHYWKFKT-CVEARBPZSA-N 1 0 288.391 4.358 20 5 CIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000020122019 171002152 /nfs/dbraw/zinc/00/21/52/171002152.db2.gz VBXPFHLMFOMMFA-LLVKDONJSA-N 1 0 290.750 4.099 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000020526131 171239120 /nfs/dbraw/zinc/23/91/20/171239120.db2.gz OEKQTOUKUGQPAI-RYUDHWBXSA-N 1 0 288.322 4.146 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000192930785 227390675 /nfs/dbraw/zinc/39/06/75/227390675.db2.gz LWSAKADZNKHSPU-CXAGYDPISA-N 1 0 296.370 4.241 20 5 CIBDRO C[C@H]([NH2+]CCCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313270998 260275482 /nfs/dbraw/zinc/27/54/82/260275482.db2.gz OEPWZKUFKXHNEP-LBPRGKRZSA-N 1 0 264.369 4.072 20 5 CIBDRO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000521190183 260378373 /nfs/dbraw/zinc/37/83/73/260378373.db2.gz OQMUPOPKKMFXDS-KWCYVHTRSA-N 1 0 294.420 4.057 20 5 CIBDRO CC[C@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000163749671 261327745 /nfs/dbraw/zinc/32/77/45/261327745.db2.gz PNXCBBNRKYBFIR-IRXDYDNUSA-N 1 0 299.374 4.182 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000163749914 261327863 /nfs/dbraw/zinc/32/78/63/261327863.db2.gz PNXCBBNRKYBFIR-DLBZAZTESA-N 1 0 299.374 4.182 20 5 CIBDRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177608516 261364360 /nfs/dbraw/zinc/36/43/60/261364360.db2.gz ZELQHWRFXHWOCI-ZDUSSCGKSA-N 1 0 296.370 4.323 20 5 CIBDRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177608532 261364405 /nfs/dbraw/zinc/36/44/05/261364405.db2.gz ZELQHWRFXHWOCI-CYBMUJFWSA-N 1 0 296.370 4.323 20 5 CIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000120075276 262180355 /nfs/dbraw/zinc/18/03/55/262180355.db2.gz SIBGUIQZRMHZPD-QGZVFWFLSA-N 1 0 296.370 4.152 20 5 CIBDRO CSCCCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186780929 262323358 /nfs/dbraw/zinc/32/33/58/262323358.db2.gz LKMLRCKJWVLMQF-ZDUSSCGKSA-N 1 0 296.436 4.087 20 5 CIBDRO Cc1c(C[NH2+][C@H]2C[C@H](C)c3ccccc32)cccc1[N+](=O)[O-] ZINC000319965380 262381007 /nfs/dbraw/zinc/38/10/07/262381007.db2.gz CZOHEBLBUOINFO-SJCJKPOMSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1c(C[NH2+][C@@H]2C[C@H](C)c3ccccc32)cccc1[N+](=O)[O-] ZINC000319965404 262381143 /nfs/dbraw/zinc/38/11/43/262381143.db2.gz CZOHEBLBUOINFO-YVEFUNNKSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1ccnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000285990305 263096742 /nfs/dbraw/zinc/09/67/42/263096742.db2.gz GZPLFTURWSSXMQ-UONOGXRCSA-N 1 0 299.374 4.018 20 5 CIBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC000418118081 267257906 /nfs/dbraw/zinc/25/79/06/267257906.db2.gz SIFGRLOHFQJWMP-CYBMUJFWSA-N 1 0 296.370 4.323 20 5 CIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000531693267 328024942 /nfs/dbraw/zinc/02/49/42/328024942.db2.gz GUABCYRZWLECNK-KWCYVHTRSA-N 1 0 276.380 4.133 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000049529311 328367795 /nfs/dbraw/zinc/36/77/95/328367795.db2.gz JUUSEEDTPRJRCC-WCQYABFASA-N 1 0 290.388 4.458 20 5 CIBDRO Cc1cc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)s1 ZINC000037563051 326855531 /nfs/dbraw/zinc/85/55/31/326855531.db2.gz SIXJKNZSWLBHOF-SECBINFHSA-N 1 0 296.417 4.185 20 5 CIBDRO C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000409865468 327166206 /nfs/dbraw/zinc/16/62/06/327166206.db2.gz FLKGDVJHCJFNCN-NEPJUHHUSA-N 1 0 298.333 4.071 20 5 CIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCc1ccccc1 ZINC000533881703 327231536 /nfs/dbraw/zinc/23/15/36/327231536.db2.gz SKJZQIZOBQBAOC-OAHLLOKOSA-N 1 0 298.386 4.220 20 5 CIBDRO CC[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000358322225 328882241 /nfs/dbraw/zinc/88/22/41/328882241.db2.gz SPTKBMDOUKKZQO-JSGCOSHPSA-N 1 0 298.333 4.213 20 5 CIBDRO CCC[C@H]([NH2+]CCSC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000312388035 330462958 /nfs/dbraw/zinc/46/29/58/330462958.db2.gz FVPQMBFGTKZVPI-HNNXBMFYSA-N 1 0 296.436 4.167 20 5 CIBDRO CC[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000430748588 330572869 /nfs/dbraw/zinc/57/28/69/330572869.db2.gz FESMZZGGTCKGOK-FZMZJTMJSA-N 1 0 298.333 4.071 20 5 CIBDRO Cc1cc(C)cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449346896 330916754 /nfs/dbraw/zinc/91/67/54/330916754.db2.gz FBXOBYANOTUAPJ-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000449774657 330949381 /nfs/dbraw/zinc/94/93/81/330949381.db2.gz KXWOTCIPMVBXJW-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451101659 331015551 /nfs/dbraw/zinc/01/55/51/331015551.db2.gz FAOUYDWVRWVNJM-ZDUSSCGKSA-N 1 0 284.359 4.008 20 5 CIBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000459385451 331279435 /nfs/dbraw/zinc/27/94/35/331279435.db2.gz HSIHBZKFCCJPPZ-OWQGQXMQSA-N 1 0 296.370 4.049 20 5 CIBDRO Cc1cccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000462770134 331328169 /nfs/dbraw/zinc/32/81/69/331328169.db2.gz UHGNFCDZBPIJON-UHFFFAOYSA-N 1 0 298.386 4.016 20 5 CIBDRO CC[C@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464781573 331367756 /nfs/dbraw/zinc/36/77/56/331367756.db2.gz SVYSJGRGCOLZIO-CZUORRHYSA-N 1 0 276.380 4.168 20 5 CIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCC1CC1 ZINC000469808047 331461489 /nfs/dbraw/zinc/46/14/89/331461489.db2.gz PDTFPMBVGPOPNG-UONOGXRCSA-N 1 0 290.407 4.084 20 5 CIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CCC2CC2)cccc1[N+](=O)[O-] ZINC000469810386 331461754 /nfs/dbraw/zinc/46/17/54/331461754.db2.gz WVINQGBRQHJZBA-WCQYABFASA-N 1 0 276.380 4.133 20 5 CIBDRO CCCc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000480482928 331774057 /nfs/dbraw/zinc/77/40/57/331774057.db2.gz STPZQDCAASLVEF-UHFFFAOYSA-N 1 0 298.386 4.146 20 5 CIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000489308670 332046520 /nfs/dbraw/zinc/04/65/20/332046520.db2.gz VOEJAVXEXAXHAM-ZBFHGGJFSA-N 1 0 296.370 4.145 20 5 CIBDRO CC(C)(C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000490112137 332081985 /nfs/dbraw/zinc/08/19/85/332081985.db2.gz IWONEBNVCWVAEH-QGZVFWFLSA-N 1 0 298.386 4.320 20 5 CIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C2CCCC2)c2ccccc2)c1 ZINC000491420674 332208665 /nfs/dbraw/zinc/20/86/65/332208665.db2.gz BVGKYAMADXUDLH-GOSISDBHSA-N 1 0 296.370 4.216 20 5 CIBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000492004427 332378805 /nfs/dbraw/zinc/37/88/05/332378805.db2.gz XBSHKZBPYHOBBN-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1C ZINC000492155444 332384796 /nfs/dbraw/zinc/38/47/96/332384796.db2.gz VPJUGXXXCLAGDT-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO Cc1ccc(C)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000492224622 332388053 /nfs/dbraw/zinc/38/80/53/332388053.db2.gz JSYVFFGLJHLNPZ-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO CC(C)[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCC1 ZINC000492237415 332388505 /nfs/dbraw/zinc/38/85/05/332388505.db2.gz BKLGKIQSGRFQOR-UHFFFAOYSA-N 1 0 282.771 4.011 20 5 CIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCC2CC2)c2ccccc2)c1 ZINC000494028110 332461357 /nfs/dbraw/zinc/46/13/57/332461357.db2.gz JSVSVIGFNXTROG-SFHVURJKSA-N 1 0 296.370 4.074 20 5 CIBDRO CC1(C)C[C@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494714536 332484335 /nfs/dbraw/zinc/48/43/35/332484335.db2.gz JDDLEXKNCPWHMW-SJORKVTESA-N 1 0 296.370 4.072 20 5 CIBDRO CCC(CC)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513786863 333039125 /nfs/dbraw/zinc/03/91/25/333039125.db2.gz OPWKCLNJZNYHJU-BBRMVZONSA-N 1 0 290.407 4.084 20 5 CIBDRO CCC[C@H]([NH2+]CCCSCC)c1cccc([N+](=O)[O-])c1 ZINC000312221393 333078507 /nfs/dbraw/zinc/07/85/07/333078507.db2.gz CBVXPXJHLGJUEU-HNNXBMFYSA-N 1 0 296.436 4.169 20 5 CIBDRO CCC[C@@H]([NH2+]CCCSCC)c1cccc([N+](=O)[O-])c1 ZINC000312221394 333078517 /nfs/dbraw/zinc/07/85/17/333078517.db2.gz CBVXPXJHLGJUEU-OAHLLOKOSA-N 1 0 296.436 4.169 20 5 CIBDRO CCCC[C@H](CCC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000226269689 333255817 /nfs/dbraw/zinc/25/58/17/333255817.db2.gz RFUWGNFYJKTGEV-LBPRGKRZSA-N 1 0 270.398 4.105 20 5 CIBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000523842137 333347567 /nfs/dbraw/zinc/34/75/67/333347567.db2.gz IODLLZXBRYBVBG-RISCZKNCSA-N 1 0 296.798 4.259 20 5 CIBDRO CC[C@@H]([NH2+]CC(C)(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000233898265 333355966 /nfs/dbraw/zinc/35/59/66/333355966.db2.gz ONJRBXUVEMSRCF-CQSZACIVSA-N 1 0 264.369 4.072 20 5 CIBDRO C[C@H](C1CC1)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000524188967 333355967 /nfs/dbraw/zinc/35/59/67/333355967.db2.gz PPDXBTPICJESPY-SNVBAGLBSA-N 1 0 294.782 4.011 20 5 CIBDRO C[C@@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000237569383 333380253 /nfs/dbraw/zinc/38/02/53/333380253.db2.gz GJUOBIRPYPLACB-GJZGRUSLSA-N 1 0 298.386 4.439 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000037770922 333538518 /nfs/dbraw/zinc/53/85/18/333538518.db2.gz RHSCBWOQFUVCGP-UONOGXRCSA-N 1 0 284.359 4.315 20 5 CIBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000537938386 333548455 /nfs/dbraw/zinc/54/84/55/333548455.db2.gz XTBBGDILILMDDI-ACJLOTCBSA-N 1 0 296.370 4.241 20 5 CIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(C)(C)C1 ZINC000540156993 333714988 /nfs/dbraw/zinc/71/49/88/333714988.db2.gz UQTDPMBUEHPDAA-DZGCQCFKSA-N 1 0 290.407 4.084 20 5 CIBDRO CCC[C@@H](CC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540171916 333717544 /nfs/dbraw/zinc/71/75/44/333717544.db2.gz HENRNAXXGCTEKC-CHWSQXEVSA-N 1 0 264.369 4.133 20 5 CIBDRO CCC[C@H]([NH2+][C@@H](C)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000070101840 333799187 /nfs/dbraw/zinc/79/91/87/333799187.db2.gz QZTPRDZTLKGTEV-LRDDRELGSA-N 1 0 276.380 4.214 20 5 CIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000070788178 333829366 /nfs/dbraw/zinc/82/93/66/333829366.db2.gz KVMJOYOUSSBQIE-SCLBCKFNSA-N 1 0 296.370 4.323 20 5 CIBDRO Cc1cc(C)cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000545165529 333965719 /nfs/dbraw/zinc/96/57/19/333965719.db2.gz JSUZCWAQODWHLQ-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO Cc1ccccc1C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000549869678 334207577 /nfs/dbraw/zinc/20/75/77/334207577.db2.gz WYPHPTGADQHQDY-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512517 334346122 /nfs/dbraw/zinc/34/61/22/334346122.db2.gz LIELTOLJOBDARN-BBRMVZONSA-N 1 0 296.370 4.241 20 5 CIBDRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000251775311 334369206 /nfs/dbraw/zinc/36/92/06/334369206.db2.gz IRFCBOBDGUPKSF-RWMBFGLXSA-N 1 0 264.369 4.070 20 5 CIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000154527790 334696910 /nfs/dbraw/zinc/69/69/10/334696910.db2.gz LUJXURAQPYHETR-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000180413592 335580983 /nfs/dbraw/zinc/58/09/83/335580983.db2.gz GDVVXVHBPAGKCN-MRXNPFEDSA-N 1 0 296.370 4.107 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000581706137 336131997 /nfs/dbraw/zinc/13/19/97/336131997.db2.gz BDPWRKMGNBNONN-CYBMUJFWSA-N 1 0 288.391 4.277 20 5 CIBDRO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000386750369 336177897 /nfs/dbraw/zinc/17/78/97/336177897.db2.gz BRWYADWFHSYRBO-LSDHHAIUSA-N 1 0 298.386 4.185 20 5 CIBDRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000386750364 336177928 /nfs/dbraw/zinc/17/79/28/336177928.db2.gz BRWYADWFHSYRBO-CABCVRRESA-N 1 0 298.386 4.185 20 5 CIBDRO Cc1cc(C)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000386762111 336178437 /nfs/dbraw/zinc/17/84/37/336178437.db2.gz FOLFEDLDYRVFIJ-HNNXBMFYSA-N 1 0 298.386 4.371 20 5 CIBDRO C[C@H]([NH2+]CC(C)(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000387070139 336184560 /nfs/dbraw/zinc/18/45/60/336184560.db2.gz UFWGFMFDXSAGCJ-AWEZNQCLSA-N 1 0 298.386 4.223 20 5 CIBDRO C[C@H](CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000387338218 336192913 /nfs/dbraw/zinc/19/29/13/336192913.db2.gz VOPABJVIPTVOSW-HUUCEWRRSA-N 1 0 298.386 4.439 20 5 CIBDRO Cc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192600043 534090697 /nfs/dbraw/zinc/09/06/97/534090697.db2.gz XRTQLXIGVHHQFY-SFHVURJKSA-N 1 0 296.370 4.070 20 5 CIBDRO CC[C@@H]([NH2+]CCCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000297262485 522823144 /nfs/dbraw/zinc/82/31/44/522823144.db2.gz KDBVZJGRZQNZQN-CYBMUJFWSA-N 1 0 286.322 4.071 20 5 CIBDRO Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000037718949 525168612 /nfs/dbraw/zinc/16/86/12/525168612.db2.gz NKKRCQBQNSOZQG-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271541431 525768546 /nfs/dbraw/zinc/76/85/46/525768546.db2.gz LSGGLNCBFJNJDG-KBPBESRZSA-N 1 0 299.374 4.018 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000037775562 525943984 /nfs/dbraw/zinc/94/39/84/525943984.db2.gz BVJTXLDVEXGHDU-NEPJUHHUSA-N 1 0 290.388 4.377 20 5 CIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192595525 533544219 /nfs/dbraw/zinc/54/42/19/533544219.db2.gz QIFXNKXLTUUMAA-ACJLOTCBSA-N 1 0 296.370 4.323 20 5 CIBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000020124310 171006373 /nfs/dbraw/zinc/00/63/73/171006373.db2.gz RWQWSXPZYLPUGJ-LLVKDONJSA-N 1 0 290.750 4.099 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000020148645 171036949 /nfs/dbraw/zinc/03/69/49/171036949.db2.gz DDWGVFPUMZXURO-QWRGUYRKSA-N 1 0 276.361 4.068 20 5 CIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000020526238 171239441 /nfs/dbraw/zinc/23/94/41/171239441.db2.gz SFFQBAPTEIRPFF-VXGBXAGGSA-N 1 0 288.322 4.146 20 5 CIBDRO C[C@@H]([NH2+]CCCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313270997 260275520 /nfs/dbraw/zinc/27/55/20/260275520.db2.gz OEPWZKUFKXHNEP-GFCCVEGCSA-N 1 0 264.369 4.072 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000152881961 261070715 /nfs/dbraw/zinc/07/07/15/261070715.db2.gz KVGIVJJRTJFNQL-UONOGXRCSA-N 1 0 284.359 4.315 20 5 CIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173399548 261162511 /nfs/dbraw/zinc/16/25/11/261162511.db2.gz XCMLYKZRISXWIJ-UGSOOPFHSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000160924126 261231007 /nfs/dbraw/zinc/23/10/07/261231007.db2.gz AVRVFFUFDDYVPF-GFCCVEGCSA-N 1 0 290.388 4.124 20 5 CIBDRO Cc1cc(NCc2cccc([N+](=O)[O-])c2)c2ccccc2[nH+]1 ZINC000301120280 261330120 /nfs/dbraw/zinc/33/01/20/261330120.db2.gz VVCFZWOCOBQCCE-UHFFFAOYSA-N 1 0 293.326 4.064 20 5 CIBDRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000314249173 261599546 /nfs/dbraw/zinc/59/95/46/261599546.db2.gz KEOVJDUJZIWIEZ-GJZGRUSLSA-N 1 0 298.386 4.267 20 5 CIBDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000020134491 262231812 /nfs/dbraw/zinc/23/18/12/262231812.db2.gz CLYOQHMSCOLINV-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000094322247 265236511 /nfs/dbraw/zinc/23/65/11/265236511.db2.gz DJSDTMOOOXFHRH-DOMZBBRYSA-N 1 0 276.380 4.133 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCc1ccccc1 ZINC000531677587 328023301 /nfs/dbraw/zinc/02/33/01/328023301.db2.gz YQQSRTQARPJHIL-HNNXBMFYSA-N 1 0 298.386 4.187 20 5 CIBDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000049092686 328336492 /nfs/dbraw/zinc/33/64/92/328336492.db2.gz ZHHPSEGIQQTLOJ-ZOWXZIJZSA-N 1 0 264.369 4.070 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000049183110 328346052 /nfs/dbraw/zinc/34/60/52/328346052.db2.gz INKACJYUZLETQK-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO Cc1ccccc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000049525961 328367680 /nfs/dbraw/zinc/36/76/80/328367680.db2.gz BIHYECQUERYWPX-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000049529310 328367701 /nfs/dbraw/zinc/36/77/01/328367701.db2.gz JUUSEEDTPRJRCC-AAEUAGOBSA-N 1 0 290.388 4.458 20 5 CIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000303941036 328370890 /nfs/dbraw/zinc/37/08/90/328370890.db2.gz SRQBJPHPPTYXMI-KRWDZBQOSA-N 1 0 298.386 4.048 20 5 CIBDRO Cc1c([C@@H](C)[NH2+]C2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000539048709 326928952 /nfs/dbraw/zinc/92/89/52/326928952.db2.gz SDKDKIHGOYSWIX-LLVKDONJSA-N 1 0 298.333 4.132 20 5 CIBDRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000409865469 327166310 /nfs/dbraw/zinc/16/63/10/327166310.db2.gz FLKGDVJHCJFNCN-NWDGAFQWSA-N 1 0 298.333 4.071 20 5 CIBDRO CCSCC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152823010 327381696 /nfs/dbraw/zinc/38/16/96/327381696.db2.gz UEDKFDQAJUPRKE-DGCLKSJQSA-N 1 0 296.436 4.086 20 5 CIBDRO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000331331377 327404007 /nfs/dbraw/zinc/40/40/07/327404007.db2.gz RRYDIYTXHQJKLU-WCQYABFASA-N 1 0 298.333 4.071 20 5 CIBDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000536866213 330253038 /nfs/dbraw/zinc/25/30/38/330253038.db2.gz YYXIYZCBIAEYRE-ZJNRKIDTSA-N 1 0 296.370 4.179 20 5 CIBDRO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536870117 330265163 /nfs/dbraw/zinc/26/51/63/330265163.db2.gz MUDBQEZBTDCINU-FZKQIMNGSA-N 1 0 296.370 4.241 20 5 CIBDRO CCc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000084200806 330485313 /nfs/dbraw/zinc/48/53/13/330485313.db2.gz GAYCXMVYXNXBMZ-CYBMUJFWSA-N 1 0 284.359 4.008 20 5 CIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCC2)CC1 ZINC000441398723 330767574 /nfs/dbraw/zinc/76/75/74/330767574.db2.gz HRSHWBAVQYPUEC-AWEZNQCLSA-N 1 0 288.391 4.312 20 5 CIBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453222218 331103271 /nfs/dbraw/zinc/10/32/71/331103271.db2.gz KYGTZLZAZBVNBD-FHSNZYRGSA-N 1 0 296.370 4.494 20 5 CIBDRO CCC[C@@H]([NH2+][C@@H](CC)CSC)c1cccc([N+](=O)[O-])c1 ZINC000164095928 331162280 /nfs/dbraw/zinc/16/22/80/331162280.db2.gz PENDTUSDOQDKBL-DZGCQCFKSA-N 1 0 296.436 4.167 20 5 CIBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000462728648 331325720 /nfs/dbraw/zinc/32/57/20/331325720.db2.gz KVHCQHIRJHNEHG-DPQIITEBSA-N 1 0 288.391 4.166 20 5 CIBDRO C[C@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000462758477 331327741 /nfs/dbraw/zinc/32/77/41/331327741.db2.gz ALTUDXZXCYEGCG-HOCLYGCPSA-N 1 0 290.407 4.086 20 5 CIBDRO C=Cc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000462801710 331329784 /nfs/dbraw/zinc/32/97/84/331329784.db2.gz ICANBMXUJQRGCJ-CQSZACIVSA-N 1 0 296.370 4.131 20 5 CIBDRO C=Cc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000462801709 331329791 /nfs/dbraw/zinc/32/97/91/331329791.db2.gz ICANBMXUJQRGCJ-AWEZNQCLSA-N 1 0 296.370 4.131 20 5 CIBDRO CC[C@@]1(C)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464775570 331367463 /nfs/dbraw/zinc/36/74/63/331367463.db2.gz MIGNKCHTGXSMNF-CJNGLKHVSA-N 1 0 276.380 4.168 20 5 CIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1=CCCC1 ZINC000468621281 331437596 /nfs/dbraw/zinc/43/75/96/331437596.db2.gz WPSUWXCXNYGARL-SDNWHVSQSA-N 1 0 286.375 4.088 20 5 CIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000489308668 332046638 /nfs/dbraw/zinc/04/66/38/332046638.db2.gz VOEJAVXEXAXHAM-GOEBONIOSA-N 1 0 296.370 4.145 20 5 CIBDRO Cc1c(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000495403687 332517174 /nfs/dbraw/zinc/51/71/74/332517174.db2.gz WMUTZLVMDPGHNW-ZFWWWQNUSA-N 1 0 298.386 4.185 20 5 CIBDRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252033240 334373103 /nfs/dbraw/zinc/37/31/03/334373103.db2.gz ZROVCAVDRCQPOX-YNEHKIRRSA-N 1 0 264.369 4.070 20 5 CIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000178647261 333076316 /nfs/dbraw/zinc/07/63/16/333076316.db2.gz MXSPVQONEZGSFX-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1ccc(C)c([C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000523442027 333327090 /nfs/dbraw/zinc/32/70/90/333327090.db2.gz HQHYBKPWDLCBLJ-HNNXBMFYSA-N 1 0 298.386 4.405 20 5 CIBDRO CC[C@H]([NH2+]CC(C)(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000234026204 333357135 /nfs/dbraw/zinc/35/71/35/333357135.db2.gz ONJRBXUVEMSRCF-AWEZNQCLSA-N 1 0 264.369 4.072 20 5 CIBDRO CCC(C)(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000236859190 333375910 /nfs/dbraw/zinc/37/59/10/333375910.db2.gz OXSFEYDWVXNEFV-UHFFFAOYSA-N 1 0 288.347 4.133 20 5 CIBDRO C[C@@H]([NH2+]Cc1cccc(C2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000316438876 333393793 /nfs/dbraw/zinc/39/37/93/333393793.db2.gz MNAAJOWAZLAQMX-CYBMUJFWSA-N 1 0 296.370 4.323 20 5 CIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(C)(C)C1 ZINC000540156994 333714980 /nfs/dbraw/zinc/71/49/80/333714980.db2.gz UQTDPMBUEHPDAA-HIFRSBDPSA-N 1 0 290.407 4.084 20 5 CIBDRO CC[C@@H]([NH2+]CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129615985 333782794 /nfs/dbraw/zinc/78/27/94/333782794.db2.gz YGXMYTTWTCDFCQ-CQSZACIVSA-N 1 0 264.369 4.072 20 5 CIBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000247101930 334275699 /nfs/dbraw/zinc/27/56/99/334275699.db2.gz QLABRBFPIRIHMP-OWQGQXMQSA-N 1 0 296.370 4.049 20 5 CIBDRO C[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000247101941 334275763 /nfs/dbraw/zinc/27/57/63/334275763.db2.gz QLABRBFPIRIHMP-XCRHUMRWSA-N 1 0 296.370 4.049 20 5 CIBDRO Cc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000552537744 334334327 /nfs/dbraw/zinc/33/43/27/334334327.db2.gz PJSYZUDMDUFLPF-UHFFFAOYSA-N 1 0 298.386 4.152 20 5 CIBDRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513424 334346119 /nfs/dbraw/zinc/34/61/19/334346119.db2.gz DEBOIJWDMVYPHB-DYVFJYSZSA-N 1 0 296.370 4.241 20 5 CIBDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552904449 334350085 /nfs/dbraw/zinc/35/00/85/334350085.db2.gz HSIHBZKFCCJPPZ-FDQGKXFDSA-N 1 0 296.370 4.049 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000565217188 334545871 /nfs/dbraw/zinc/54/58/71/334545871.db2.gz KXSUSLLTSBDQEE-DYVFJYSZSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000157138618 334760508 /nfs/dbraw/zinc/76/05/08/334760508.db2.gz LGSNFNXSXYXGRD-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CCC[C@H]([NH2+]C1(C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000576296838 335186165 /nfs/dbraw/zinc/18/61/65/335186165.db2.gz BZOHNXOOKQVURE-HNNXBMFYSA-N 1 0 276.380 4.214 20 5 CIBDRO CCC1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000382569340 336094136 /nfs/dbraw/zinc/09/41/36/336094136.db2.gz PIIDWEOAIMAJPJ-UHFFFAOYSA-N 1 0 282.771 4.061 20 5 CIBDRO C[C@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000387338211 336192946 /nfs/dbraw/zinc/19/29/46/336192946.db2.gz VOPABJVIPTVOSW-CABCVRRESA-N 1 0 298.386 4.439 20 5 CIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352543818 534095287 /nfs/dbraw/zinc/09/52/87/534095287.db2.gz KECPEJKLXMGFGI-ZDUSSCGKSA-N 1 0 298.342 4.038 20 5 CIBDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000037775667 525530605 /nfs/dbraw/zinc/53/06/05/525530605.db2.gz HAUFIKJFGJAHOC-NEPJUHHUSA-N 1 0 288.347 4.216 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000061361139 525612276 /nfs/dbraw/zinc/61/22/76/525612276.db2.gz POYARJKNZDLYQY-WDEREUQCSA-N 1 0 276.361 4.068 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000037775560 525933878 /nfs/dbraw/zinc/93/38/78/525933878.db2.gz BVJTXLDVEXGHDU-RYUDHWBXSA-N 1 0 290.388 4.377 20 5 CIBDRO CC[C@H]([NH2+][C@@H]1CCC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000353348103 529655732 /nfs/dbraw/zinc/65/57/32/529655732.db2.gz WYELZJCHYWKFKT-JKSUJKDBSA-N 1 0 288.391 4.358 20 5 CIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192595495 533523521 /nfs/dbraw/zinc/52/35/21/533523521.db2.gz QIFXNKXLTUUMAA-FZKQIMNGSA-N 1 0 296.370 4.323 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000020526133 171239154 /nfs/dbraw/zinc/23/91/54/171239154.db2.gz OEKQTOUKUGQPAI-NWDGAFQWSA-N 1 0 288.322 4.146 20 5 CIBDRO Cc1ccccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192606805 228169403 /nfs/dbraw/zinc/16/94/03/228169403.db2.gz DKTGRLRQGCDHJY-SFHVURJKSA-N 1 0 296.370 4.070 20 5 CIBDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000107320137 261377728 /nfs/dbraw/zinc/37/77/28/261377728.db2.gz CIQFPKXEBVPJPA-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO CC[C@@H]([NH2+]Cc1cscc1C)c1cccc([N+](=O)[O-])c1 ZINC000094877308 262475318 /nfs/dbraw/zinc/47/53/18/262475318.db2.gz GGBRCGPYOQCPKG-OAHLLOKOSA-N 1 0 290.388 4.206 20 5 CIBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000484505901 267347280 /nfs/dbraw/zinc/34/72/80/267347280.db2.gz WUUHAJSJJFUKJE-UMVBOHGHSA-N 1 0 276.380 4.133 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000049529327 328367677 /nfs/dbraw/zinc/36/76/77/328367677.db2.gz KRXPSCVMDSZQCI-SMDDNHRTSA-N 1 0 290.388 4.458 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000049556691 328373197 /nfs/dbraw/zinc/37/31/97/328373197.db2.gz LEWIPTBYLOXWSN-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CC(C)CSCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000537950964 326865279 /nfs/dbraw/zinc/86/52/79/326865279.db2.gz TZTDTQCDXRGQKX-CYBMUJFWSA-N 1 0 296.436 4.025 20 5 CIBDRO CC(C)(CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000569361132 327163697 /nfs/dbraw/zinc/16/36/97/327163697.db2.gz KRDPJOKJHFHVLZ-FNORWQNLSA-N 1 0 288.391 4.024 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000052332497 328641063 /nfs/dbraw/zinc/64/10/63/328641063.db2.gz VNFUMTAKPMRIHM-QWHCGFSZSA-N 1 0 276.380 4.214 20 5 CIBDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536870101 330265308 /nfs/dbraw/zinc/26/53/08/330265308.db2.gz MUDBQEZBTDCINU-ACJLOTCBSA-N 1 0 296.370 4.241 20 5 CIBDRO CCc1ccccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000315430789 330475541 /nfs/dbraw/zinc/47/55/41/330475541.db2.gz QJXLDGBGDOUMJV-CQSZACIVSA-N 1 0 298.386 4.316 20 5 CIBDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000436283568 330673298 /nfs/dbraw/zinc/67/32/98/330673298.db2.gz LSROEAMTRVXOFQ-KBRIMQKVSA-N 1 0 296.370 4.192 20 5 CIBDRO Cc1cccc(C)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000160423314 330865457 /nfs/dbraw/zinc/86/54/57/330865457.db2.gz MVTBOLFGHHJIJG-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CCC[C@H]([NH2+][C@@H](CC)CSC)c1cccc([N+](=O)[O-])c1 ZINC000164095819 331162310 /nfs/dbraw/zinc/16/23/10/331162310.db2.gz PENDTUSDOQDKBL-ZFWWWQNUSA-N 1 0 296.436 4.167 20 5 CIBDRO CCC[C@H]([NH2+][C@H](CC)CSC)c1cccc([N+](=O)[O-])c1 ZINC000164096036 331162358 /nfs/dbraw/zinc/16/23/58/331162358.db2.gz PENDTUSDOQDKBL-HIFRSBDPSA-N 1 0 296.436 4.167 20 5 CIBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000459385453 331279440 /nfs/dbraw/zinc/27/94/40/331279440.db2.gz HSIHBZKFCCJPPZ-SKDZVZGDSA-N 1 0 296.370 4.049 20 5 CIBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2=CCCCCC2)cs1 ZINC000463704297 331350676 /nfs/dbraw/zinc/35/06/76/331350676.db2.gz CRPZENZKPDTCIG-UHFFFAOYSA-N 1 0 280.393 4.027 20 5 CIBDRO CC[C@]1(C)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464775571 331367397 /nfs/dbraw/zinc/36/73/97/331367397.db2.gz MIGNKCHTGXSMNF-CZUORRHYSA-N 1 0 276.380 4.168 20 5 CIBDRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000467836399 331424489 /nfs/dbraw/zinc/42/44/89/331424489.db2.gz KVZKHABXOGLZFD-UPJWGTAASA-N 1 0 276.380 4.070 20 5 CIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(C)(C)C ZINC000468643917 331438126 /nfs/dbraw/zinc/43/81/26/331438126.db2.gz VMOOGGMFGZTNFA-RAXLEYEMSA-N 1 0 276.380 4.024 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+]C/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000482959636 331854197 /nfs/dbraw/zinc/85/41/97/331854197.db2.gz KELCNQCISIBZNJ-AJHXJQRKSA-N 1 0 296.370 4.267 20 5 CIBDRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000488399645 332004073 /nfs/dbraw/zinc/00/40/73/332004073.db2.gz QPXVLHYZLMKRCI-AWEZNQCLSA-N 1 0 284.359 4.096 20 5 CIBDRO Cc1cccc([C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000489070728 332040241 /nfs/dbraw/zinc/04/02/41/332040241.db2.gz IOFXIHYTZZDNMT-CQSZACIVSA-N 1 0 284.359 4.096 20 5 CIBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1(C)CCCC1 ZINC000490132143 332082299 /nfs/dbraw/zinc/08/22/99/332082299.db2.gz FLSIEQWVWUVCJQ-UHFFFAOYSA-N 1 0 282.771 4.013 20 5 CIBDRO CC1(C)C[C@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494714534 332484339 /nfs/dbraw/zinc/48/43/39/332484339.db2.gz JDDLEXKNCPWHMW-IAGOWNOFSA-N 1 0 296.370 4.072 20 5 CIBDRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000502525104 332664534 /nfs/dbraw/zinc/66/45/34/332664534.db2.gz ABLKQWBEJRGDBW-NWDGAFQWSA-N 1 0 298.333 4.071 20 5 CIBDRO CC[N@H+](Cc1cccs1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183650365 333121455 /nfs/dbraw/zinc/12/14/55/333121455.db2.gz XPGCOTLMRDVNRK-GFCCVEGCSA-N 1 0 290.388 4.239 20 5 CIBDRO CCc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000189833465 333199547 /nfs/dbraw/zinc/19/95/47/333199547.db2.gz SJJHNHBMBWSLHN-ZDUSSCGKSA-N 1 0 284.359 4.008 20 5 CIBDRO CCC(C)(CC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000522535673 333289275 /nfs/dbraw/zinc/28/92/75/333289275.db2.gz VGMQSBIKYREMLY-UHFFFAOYSA-N 1 0 278.396 4.387 20 5 CIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000250063561 333302071 /nfs/dbraw/zinc/30/20/71/333302071.db2.gz VGBVUJLODBUYAK-OWCLPIDISA-N 1 0 288.391 4.043 20 5 CIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000523527920 333332359 /nfs/dbraw/zinc/33/23/59/333332359.db2.gz ZRCKTMBIXJLGLP-CYBMUJFWSA-N 1 0 278.396 4.100 20 5 CIBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCCC1 ZINC000523843439 333347881 /nfs/dbraw/zinc/34/78/81/333347881.db2.gz UNGNHNRALSGBIT-UHFFFAOYSA-N 1 0 296.798 4.403 20 5 CIBDRO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236900466 333376333 /nfs/dbraw/zinc/37/63/33/333376333.db2.gz KYTNIGIJKXMOFL-LLVKDONJSA-N 1 0 290.388 4.211 20 5 CIBDRO C[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000237468060 333379496 /nfs/dbraw/zinc/37/94/96/333379496.db2.gz GJUOBIRPYPLACB-CABCVRRESA-N 1 0 298.386 4.439 20 5 CIBDRO C[C@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000237469184 333379549 /nfs/dbraw/zinc/37/95/49/333379549.db2.gz GJUOBIRPYPLACB-HUUCEWRRSA-N 1 0 298.386 4.439 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000237605029 333380396 /nfs/dbraw/zinc/38/03/96/333380396.db2.gz GGMWVDYAIGMPJZ-CABCVRRESA-N 1 0 298.386 4.358 20 5 CIBDRO CCc1ccc([C@H](CC)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000315630076 333382640 /nfs/dbraw/zinc/38/26/40/333382640.db2.gz USUFCURJLDQHNX-KRWDZBQOSA-N 1 0 298.386 4.398 20 5 CIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000036992028 333452321 /nfs/dbraw/zinc/45/23/21/333452321.db2.gz NUJLRKAPPMVKGO-SECBINFHSA-N 1 0 296.779 4.161 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000037772296 333539111 /nfs/dbraw/zinc/53/91/11/333539111.db2.gz LVTFIIQPCCPFJG-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000037775532 333539359 /nfs/dbraw/zinc/53/93/59/333539359.db2.gz PQXKZLPOLDLKNC-UPJWGTAASA-N 1 0 276.380 4.070 20 5 CIBDRO Cc1cscc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000576174337 335165275 /nfs/dbraw/zinc/16/52/75/335165275.db2.gz BICKFENTDZVXBE-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000546692010 334046388 /nfs/dbraw/zinc/04/63/88/334046388.db2.gz MFELMNVGFAMQAR-STQMWFEESA-N 1 0 276.380 4.133 20 5 CIBDRO Cc1cccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000237630787 334092740 /nfs/dbraw/zinc/09/27/40/334092740.db2.gz BIGLEAQUPHFMBL-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000551275184 334244767 /nfs/dbraw/zinc/24/47/67/334244767.db2.gz QLABRBFPIRIHMP-SKDZVZGDSA-N 1 0 296.370 4.049 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000552579518 334337607 /nfs/dbraw/zinc/33/76/07/334337607.db2.gz BVTJWAHMOPLGHT-LLVKDONJSA-N 1 0 298.333 4.132 20 5 CIBDRO CCc1ccccc1C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000386382449 336171965 /nfs/dbraw/zinc/17/19/65/336171965.db2.gz HVEQCMXBEJALRZ-GOSISDBHSA-N 1 0 298.386 4.398 20 5 CIBDRO CC[C@H]([NH2+][C@@H](C)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000061360865 522698538 /nfs/dbraw/zinc/69/85/38/522698538.db2.gz NHUAPVXOCFUQPY-NHYWBVRUSA-N 1 0 290.388 4.458 20 5 CIBDRO CC[C@@H]([NH2+]Cc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000036721130 522879725 /nfs/dbraw/zinc/87/97/25/522879725.db2.gz PJCWBTFSSFMSJS-QGZVFWFLSA-N 1 0 284.359 4.144 20 5 CIBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000037775664 525471673 /nfs/dbraw/zinc/47/16/73/525471673.db2.gz HAUFIKJFGJAHOC-NWDGAFQWSA-N 1 0 288.347 4.216 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000036959937 525746034 /nfs/dbraw/zinc/74/60/34/525746034.db2.gz PNKLSAZJXCAEQN-CHWSQXEVSA-N 1 0 288.347 4.216 20 5 CIBDRO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000353516993 529652125 /nfs/dbraw/zinc/65/21/25/529652125.db2.gz HMHGPAQCJHBFSG-BBRMVZONSA-N 1 0 299.374 4.100 20 5 CIBDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526174 171238944 /nfs/dbraw/zinc/23/89/44/171238944.db2.gz PQUFIAQNGGSYKN-KGLIPLIRSA-N 1 0 284.359 4.315 20 5 CIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000020526132 171239026 /nfs/dbraw/zinc/23/90/26/171239026.db2.gz OEKQTOUKUGQPAI-VXGBXAGGSA-N 1 0 288.322 4.146 20 5 CIBDRO Cc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192629448 228196189 /nfs/dbraw/zinc/19/61/89/228196189.db2.gz BSQSKSBYHAGFBG-GOSISDBHSA-N 1 0 296.370 4.070 20 5 CIBDRO CC(C)(CCc1ccccc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000317184481 260043325 /nfs/dbraw/zinc/04/33/25/260043325.db2.gz NKRCODRZWOMQJA-UHFFFAOYSA-N 1 0 298.386 4.096 20 5 CIBDRO CC[C@@H]([NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000163750036 261327648 /nfs/dbraw/zinc/32/76/48/261327648.db2.gz PNXCBBNRKYBFIR-IAGOWNOFSA-N 1 0 299.374 4.182 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000163749798 261327872 /nfs/dbraw/zinc/32/78/72/261327872.db2.gz PNXCBBNRKYBFIR-SJORKVTESA-N 1 0 299.374 4.182 20 5 CIBDRO Cc1cc(NCc2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302206068 261349587 /nfs/dbraw/zinc/34/95/87/261349587.db2.gz XDZPRMSRQHSLKD-UHFFFAOYSA-N 1 0 293.326 4.064 20 5 CIBDRO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000184412228 262019066 /nfs/dbraw/zinc/01/90/66/262019066.db2.gz JQPZPEMVTHUYFB-KBPBESRZSA-N 1 0 299.374 4.018 20 5 CIBDRO CC[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000390515866 262202949 /nfs/dbraw/zinc/20/29/49/262202949.db2.gz ALFBQVSAQSQLPP-JSGCOSHPSA-N 1 0 298.333 4.071 20 5 CIBDRO CCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000519160628 265347791 /nfs/dbraw/zinc/34/77/91/265347791.db2.gz UKWKYLADZBAKDG-CYBMUJFWSA-N 1 0 294.395 4.002 20 5 CIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC3(CC3)CC2)c(Cl)c1 ZINC000362923753 267061272 /nfs/dbraw/zinc/06/12/72/267061272.db2.gz LGUBIGHSALCPLH-UHFFFAOYSA-N 1 0 294.782 4.061 20 5 CIBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC000418118082 267258697 /nfs/dbraw/zinc/25/86/97/267258697.db2.gz SIFGRLOHFQJWMP-ZDUSSCGKSA-N 1 0 296.370 4.323 20 5 CIBDRO C[C@H]([NH2+]C(C1CCC1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000313835745 327771510 /nfs/dbraw/zinc/77/15/10/327771510.db2.gz JAWAVZGMOKVEJZ-LBPRGKRZSA-N 1 0 288.391 4.214 20 5 CIBDRO CCC[C@H]([NH2+]CC1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000394783871 328009852 /nfs/dbraw/zinc/00/98/52/328009852.db2.gz JBDIFGJLXODRLQ-AWEZNQCLSA-N 1 0 298.333 4.071 20 5 CIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000531693268 328024876 /nfs/dbraw/zinc/02/48/76/328024876.db2.gz GUABCYRZWLECNK-UBHSHLNASA-N 1 0 276.380 4.133 20 5 CIBDRO Cc1ccsc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531700966 328026026 /nfs/dbraw/zinc/02/60/26/328026026.db2.gz RADGPUWFDLYDPQ-GFCCVEGCSA-N 1 0 290.388 4.124 20 5 CIBDRO CCSCC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531984852 328378417 /nfs/dbraw/zinc/37/84/17/328378417.db2.gz UDNCDPUHYGSSSN-QWHCGFSZSA-N 1 0 296.436 4.086 20 5 CIBDRO CCSCC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531984853 328378542 /nfs/dbraw/zinc/37/85/42/328378542.db2.gz UDNCDPUHYGSSSN-STQMWFEESA-N 1 0 296.436 4.086 20 5 CIBDRO Cc1cc([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)s1 ZINC000037563052 326855475 /nfs/dbraw/zinc/85/54/75/326855475.db2.gz SIXJKNZSWLBHOF-VIFPVBQESA-N 1 0 296.417 4.185 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000037770799 326861186 /nfs/dbraw/zinc/86/11/86/326861186.db2.gz KFRLXCJAMDLNDK-ZIAGYGMSSA-N 1 0 284.359 4.315 20 5 CIBDRO Cc1ccccc1C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000559327245 327160020 /nfs/dbraw/zinc/16/00/20/327160020.db2.gz YJHBFJXCDDOZHH-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO CCC[C@H](CC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537970911 327240909 /nfs/dbraw/zinc/24/09/09/327240909.db2.gz QDOAHVUPTVKMJT-STQMWFEESA-N 1 0 264.369 4.133 20 5 CIBDRO CCCC(C)(C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000561353781 327388266 /nfs/dbraw/zinc/38/82/66/327388266.db2.gz RQCIHQHKLABYPK-UHFFFAOYSA-N 1 0 278.396 4.387 20 5 CIBDRO Cc1cc(C)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000043393631 328789515 /nfs/dbraw/zinc/78/95/15/328789515.db2.gz UMDUVHJDAMHXIC-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO CC[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000358322227 328882181 /nfs/dbraw/zinc/88/21/81/328882181.db2.gz SPTKBMDOUKKZQO-TZMCWYRMSA-N 1 0 298.333 4.213 20 5 CIBDRO C[C@H](CCc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000532899545 329170488 /nfs/dbraw/zinc/17/04/88/329170488.db2.gz JCXBONQYJXEKEL-OAHLLOKOSA-N 1 0 298.386 4.048 20 5 CIBDRO CC(C)(C)C1CC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000582799140 329211890 /nfs/dbraw/zinc/21/18/90/329211890.db2.gz JEPJDXHTCGZDBT-VURMDHGXSA-N 1 0 288.391 4.022 20 5 CIBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536831101 330228965 /nfs/dbraw/zinc/22/89/65/330228965.db2.gz FSXSEBSRTROVPA-UGSOOPFHSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536831094 330228977 /nfs/dbraw/zinc/22/89/77/330228977.db2.gz FSXSEBSRTROVPA-SCLBCKFNSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000536834630 330230077 /nfs/dbraw/zinc/23/00/77/330230077.db2.gz XPNBPIKNKQXZER-LLVKDONJSA-N 1 0 298.333 4.132 20 5 CIBDRO CCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000058181162 330385790 /nfs/dbraw/zinc/38/57/90/330385790.db2.gz RGYCKPAUTPLKBZ-KRWDZBQOSA-N 1 0 284.359 4.226 20 5 CIBDRO Cc1ccccc1[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000537059470 330394169 /nfs/dbraw/zinc/39/41/69/330394169.db2.gz KDZOFNMMRVIMRE-GOSISDBHSA-N 1 0 298.386 4.390 20 5 CIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000537059471 330394230 /nfs/dbraw/zinc/39/42/30/330394230.db2.gz KDZOFNMMRVIMRE-SFHVURJKSA-N 1 0 298.386 4.390 20 5 CIBDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000435668854 330659893 /nfs/dbraw/zinc/65/98/93/330659893.db2.gz DXYASOVBKVVQTJ-JQFCIGGWSA-N 1 0 296.370 4.192 20 5 CIBDRO Cc1cccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000157323129 330773198 /nfs/dbraw/zinc/77/31/98/330773198.db2.gz DJFXGWVGNDPECP-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CC[C@H](C)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453050763 331084785 /nfs/dbraw/zinc/08/47/85/331084785.db2.gz AHWHCVHXXLOPAI-SUMWQHHRSA-N 1 0 284.359 4.072 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000453218907 331102849 /nfs/dbraw/zinc/10/28/49/331102849.db2.gz HGXCWIQTYMLHMO-XHDPSFHLSA-N 1 0 290.388 4.458 20 5 CIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000453245772 331106815 /nfs/dbraw/zinc/10/68/15/331106815.db2.gz IKPPBUVLJBAAQJ-SCLBCKFNSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1ccccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000462762470 331327833 /nfs/dbraw/zinc/32/78/33/331327833.db2.gz MQJFFRLBHMFNFR-UHFFFAOYSA-N 1 0 298.386 4.016 20 5 CIBDRO CC[C@]1(C)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464775572 331367477 /nfs/dbraw/zinc/36/74/77/331367477.db2.gz MIGNKCHTGXSMNF-XJKSGUPXSA-N 1 0 276.380 4.168 20 5 CIBDRO CCc1cccc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000469784326 331458401 /nfs/dbraw/zinc/45/84/01/331458401.db2.gz XAFKGUPJQLHECJ-GOSISDBHSA-N 1 0 298.386 4.398 20 5 CIBDRO CCCc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000479557881 331737477 /nfs/dbraw/zinc/73/74/77/331737477.db2.gz YNOYMZWZWGDSQP-CQSZACIVSA-N 1 0 298.386 4.398 20 5 CIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000479870945 331749913 /nfs/dbraw/zinc/74/99/13/331749913.db2.gz DFFULZMBEFAFHT-CORIIIEPSA-N 1 0 276.380 4.133 20 5 CIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000481344351 331804332 /nfs/dbraw/zinc/80/43/32/331804332.db2.gz XDSLUMMQNXIJMI-HNNXBMFYSA-N 1 0 298.386 4.371 20 5 CIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000484276031 331895387 /nfs/dbraw/zinc/89/53/87/331895387.db2.gz NKQRIOBLONHXPK-DOMZBBRYSA-N 1 0 276.380 4.133 20 5 CIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2CCC2)c2ccccc2)c1 ZINC000490185386 332083988 /nfs/dbraw/zinc/08/39/88/332083988.db2.gz WBJLVHCWBSRLGF-GOSISDBHSA-N 1 0 296.370 4.074 20 5 CIBDRO CC1CC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000494002495 332460486 /nfs/dbraw/zinc/46/04/86/332460486.db2.gz BLIUIMKRDAEDBG-AUCFXJAVSA-N 1 0 296.370 4.072 20 5 CIBDRO Cc1c(C[NH2+][C@H](C)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000495403676 332517173 /nfs/dbraw/zinc/51/71/73/332517173.db2.gz WMUTZLVMDPGHNW-DZGCQCFKSA-N 1 0 298.386 4.185 20 5 CIBDRO CCC(CC)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513786864 333039220 /nfs/dbraw/zinc/03/92/20/333039220.db2.gz OPWKCLNJZNYHJU-CJNGLKHVSA-N 1 0 290.407 4.084 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000219860735 333158172 /nfs/dbraw/zinc/15/81/72/333158172.db2.gz AWWAPDYZXAOFIX-OAHLLOKOSA-N 1 0 298.386 4.187 20 5 CIBDRO CC[C@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000523554477 333332769 /nfs/dbraw/zinc/33/27/69/333332769.db2.gz SNMQFKKSRTYPKY-HNNXBMFYSA-N 1 0 276.380 4.058 20 5 CIBDRO CC(C)[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000302834830 333335506 /nfs/dbraw/zinc/33/55/06/333335506.db2.gz XPVRBOHSQNWHLY-UHFFFAOYSA-N 1 0 284.359 4.005 20 5 CIBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000523842135 333347724 /nfs/dbraw/zinc/34/77/24/333347724.db2.gz IODLLZXBRYBVBG-BXUZGUMPSA-N 1 0 296.798 4.259 20 5 CIBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000523842138 333347738 /nfs/dbraw/zinc/34/77/38/333347738.db2.gz IODLLZXBRYBVBG-SMDDNHRTSA-N 1 0 296.798 4.259 20 5 CIBDRO C[C@@H](C1CC1)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000524188966 333355834 /nfs/dbraw/zinc/35/58/34/333355834.db2.gz PPDXBTPICJESPY-JTQLQIEISA-N 1 0 294.782 4.011 20 5 CIBDRO Cc1cccnc1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000236661601 333374323 /nfs/dbraw/zinc/37/43/23/333374323.db2.gz UTQYSWNBZPHNKH-UHFFFAOYSA-N 1 0 285.347 4.034 20 5 CIBDRO CC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237001905 333377026 /nfs/dbraw/zinc/37/70/26/333377026.db2.gz KYTNIGIJKXMOFL-NSHDSACASA-N 1 0 290.388 4.211 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000237440625 333379529 /nfs/dbraw/zinc/37/95/29/333379529.db2.gz GGMWVDYAIGMPJZ-GJZGRUSLSA-N 1 0 298.386 4.358 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000037775591 333539249 /nfs/dbraw/zinc/53/92/49/333539249.db2.gz BPQXCJDPCPPOKP-OLZOCXBDSA-N 1 0 276.380 4.214 20 5 CIBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000537938389 333548303 /nfs/dbraw/zinc/54/83/03/333548303.db2.gz XTBBGDILILMDDI-UGSOOPFHSA-N 1 0 296.370 4.241 20 5 CIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000539049595 333651504 /nfs/dbraw/zinc/65/15/04/333651504.db2.gz VFRKQZODZVJBAQ-CHWSQXEVSA-N 1 0 294.395 4.079 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000540158653 333715077 /nfs/dbraw/zinc/71/50/77/333715077.db2.gz SEGUSRTTYYDNBD-DGCLKSJQSA-N 1 0 298.333 4.132 20 5 CIBDRO CS[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000543426611 333873721 /nfs/dbraw/zinc/87/37/21/333873721.db2.gz WMWNAZDCBHDKSI-SMDDNHRTSA-N 1 0 296.436 4.023 20 5 CIBDRO C[C@H]([NH2+]C(C)(C)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000544468983 333932644 /nfs/dbraw/zinc/93/26/44/333932644.db2.gz QJWHAHFLFXMGNK-NSHDSACASA-N 1 0 290.388 4.242 20 5 CIBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000546228664 334020785 /nfs/dbraw/zinc/02/07/85/334020785.db2.gz PNFJHKVFSRNJMJ-GFCCVEGCSA-N 1 0 290.388 4.124 20 5 CIBDRO C[C@@H]1CC[C@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552074479 334286414 /nfs/dbraw/zinc/28/64/14/334286414.db2.gz PRHRYXLJFVACRI-FSPWUOQZSA-N 1 0 296.370 4.072 20 5 CIBDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513426 334346056 /nfs/dbraw/zinc/34/60/56/334346056.db2.gz DEBOIJWDMVYPHB-CXAGYDPISA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512514 334346111 /nfs/dbraw/zinc/34/61/11/334346111.db2.gz LIELTOLJOBDARN-CJNGLKHVSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1ccccc1[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000091372546 334377525 /nfs/dbraw/zinc/37/75/25/334377525.db2.gz OETYWVVZPQMRKH-GOSISDBHSA-N 1 0 296.370 4.144 20 5 CIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000091372547 334377684 /nfs/dbraw/zinc/37/76/84/334377684.db2.gz OETYWVVZPQMRKH-SFHVURJKSA-N 1 0 296.370 4.144 20 5 CIBDRO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000252450610 334380657 /nfs/dbraw/zinc/38/06/57/334380657.db2.gz PQXKZLPOLDLKNC-IATRGZMQSA-N 1 0 276.380 4.070 20 5 CIBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000567761001 334758906 /nfs/dbraw/zinc/75/89/06/334758906.db2.gz RFMZDCCAIACVIG-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO Cc1ccccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000157138465 334760522 /nfs/dbraw/zinc/76/05/22/334760522.db2.gz UZLBRILGJXDYHV-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000157195167 334762945 /nfs/dbraw/zinc/76/29/45/334762945.db2.gz PECHNVLGAXCSLI-UONOGXRCSA-N 1 0 284.359 4.315 20 5 CIBDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000157217163 334764005 /nfs/dbraw/zinc/76/40/05/334764005.db2.gz PXKUCBCCIICSRY-ZIAGYGMSSA-N 1 0 284.359 4.315 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccncc1 ZINC000163709590 334872043 /nfs/dbraw/zinc/87/20/43/334872043.db2.gz GANRZLORNHLMLA-SUMWQHHRSA-N 1 0 299.374 4.100 20 5 CIBDRO C[C@H]([NH2+]Cc1sccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000193012697 335333850 /nfs/dbraw/zinc/33/38/50/335333850.db2.gz NEYGUSSDIKRECM-VIFPVBQESA-N 1 0 296.779 4.161 20 5 CIBDRO CC[C@@H]([NH2+][C@H](C)CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000346549382 335369080 /nfs/dbraw/zinc/36/90/80/335369080.db2.gz BQQPQMXEDOWHJZ-MLGOLLRUSA-N 1 0 276.380 4.214 20 5 CIBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000051626147 522698728 /nfs/dbraw/zinc/69/87/28/522698728.db2.gz KPJQCUDFPKIJDB-BBRMVZONSA-N 1 0 284.359 4.397 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000061360583 525614295 /nfs/dbraw/zinc/61/42/95/525614295.db2.gz GLOJGWMCLLCXGC-MNOVXSKESA-N 1 0 276.361 4.068 20 5 CIBDRO Cc1ccsc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070091653 525889217 /nfs/dbraw/zinc/88/92/17/525889217.db2.gz JOGKSKBEJUOVOZ-NEPJUHHUSA-N 1 0 290.388 4.377 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000037177021 260072724 /nfs/dbraw/zinc/07/27/24/260072724.db2.gz SXYHERNXQZPVLQ-RYUDHWBXSA-N 1 0 288.322 4.146 20 5 CIBDRO Cc1ccccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192606788 228169329 /nfs/dbraw/zinc/16/93/29/228169329.db2.gz DKTGRLRQGCDHJY-GOSISDBHSA-N 1 0 296.370 4.070 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000037176744 260072570 /nfs/dbraw/zinc/07/25/70/260072570.db2.gz AVCJVOFKULGWEL-STQMWFEESA-N 1 0 270.332 4.007 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000037177023 260072819 /nfs/dbraw/zinc/07/28/19/260072819.db2.gz SXYHERNXQZPVLQ-NEPJUHHUSA-N 1 0 288.322 4.146 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000037176748 260072853 /nfs/dbraw/zinc/07/28/53/260072853.db2.gz AVCJVOFKULGWEL-QWHCGFSZSA-N 1 0 270.332 4.007 20 5 CIBDRO CC[C@H]([NH2+][C@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000090918484 260264338 /nfs/dbraw/zinc/26/43/38/260264338.db2.gz YGWYVXMIQNWJKE-ROUUACIJSA-N 1 0 296.370 4.323 20 5 CIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173399534 261162645 /nfs/dbraw/zinc/16/26/45/261162645.db2.gz XCMLYKZRISXWIJ-SCLBCKFNSA-N 1 0 296.370 4.241 20 5 CIBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000497425231 262159379 /nfs/dbraw/zinc/15/93/79/262159379.db2.gz FNFKDIFBOCORPH-GOSISDBHSA-N 1 0 298.386 4.424 20 5 CIBDRO Cc1cscc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000094877608 265269294 /nfs/dbraw/zinc/26/92/94/265269294.db2.gz KGMZKTXEKIXEDB-GFCCVEGCSA-N 1 0 290.388 4.124 20 5 CIBDRO CCC[C@@H]([NH2+]CC1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000394783873 328009846 /nfs/dbraw/zinc/00/98/46/328009846.db2.gz JBDIFGJLXODRLQ-CQSZACIVSA-N 1 0 298.333 4.071 20 5 CIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2csc3ccccc23)c1 ZINC000048068574 328040782 /nfs/dbraw/zinc/04/07/82/328040782.db2.gz FEDVAQIGMFDZEA-UHFFFAOYSA-N 1 0 298.367 4.099 20 5 CIBDRO Cc1ccc(C)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000048327020 328051818 /nfs/dbraw/zinc/05/18/18/328051818.db2.gz CMVVKCVRUVEHET-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000049529313 328367709 /nfs/dbraw/zinc/36/77/09/328367709.db2.gz JUUSEEDTPRJRCC-DGCLKSJQSA-N 1 0 290.388 4.458 20 5 CIBDRO CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000050887200 328450518 /nfs/dbraw/zinc/45/05/18/328450518.db2.gz AEXIRVCQTKNCSH-STQMWFEESA-N 1 0 264.369 4.133 20 5 CIBDRO C[C@H]([NH2+]CCCC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000313267597 327105703 /nfs/dbraw/zinc/10/57/03/327105703.db2.gz KUFYCONMXGZGFD-LBPRGKRZSA-N 1 0 264.369 4.072 20 5 CIBDRO C[C@H]([NH2+][C@H]1C=CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000559147279 327143160 /nfs/dbraw/zinc/14/31/60/327143160.db2.gz PWQXNOISFCRTOW-ZFWWWQNUSA-N 1 0 274.364 4.134 20 5 CIBDRO C[C@@H]([NH2+][C@@H]1C=CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000559147278 327143233 /nfs/dbraw/zinc/14/32/33/327143233.db2.gz PWQXNOISFCRTOW-UKRRQHHQSA-N 1 0 274.364 4.134 20 5 CIBDRO CC(C)(CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000569361131 327163585 /nfs/dbraw/zinc/16/35/85/327163585.db2.gz KRDPJOKJHFHVLZ-ALCCZGGFSA-N 1 0 288.391 4.024 20 5 CIBDRO CC[C@H]([NH2+]C1(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562874905 327521423 /nfs/dbraw/zinc/52/14/23/327521423.db2.gz PEVURWURYBGEEO-KRWDZBQOSA-N 1 0 296.370 4.325 20 5 CIBDRO Cc1cc(C)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000532464536 328780582 /nfs/dbraw/zinc/78/05/82/328780582.db2.gz BTDLYUOVFVWRGY-OAHLLOKOSA-N 1 0 298.386 4.371 20 5 CIBDRO Cc1csc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000394236379 329108186 /nfs/dbraw/zinc/10/81/86/329108186.db2.gz PRFOMODUVYMMTA-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000536866211 330253057 /nfs/dbraw/zinc/25/30/57/330253057.db2.gz YYXIYZCBIAEYRE-LXIYXOSZSA-N 1 0 296.370 4.179 20 5 CIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000061027673 330427685 /nfs/dbraw/zinc/42/76/85/330427685.db2.gz JEZNOVNVNPHSNZ-LBPRGKRZSA-N 1 0 296.326 4.192 20 5 CIBDRO CCc1ccccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000084200094 330485135 /nfs/dbraw/zinc/48/51/35/330485135.db2.gz PQXZSCTUURIECA-ZDUSSCGKSA-N 1 0 284.359 4.008 20 5 CIBDRO C[C@H]([NH2+][C@H]1C[C@H](C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453222219 331103220 /nfs/dbraw/zinc/10/32/20/331103220.db2.gz KYGTZLZAZBVNBD-LXIYXOSZSA-N 1 0 296.370 4.494 20 5 CIBDRO C=Cc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000461074941 331311018 /nfs/dbraw/zinc/31/10/18/331311018.db2.gz KHXWQSGYMFGULQ-CQSZACIVSA-N 1 0 296.370 4.131 20 5 CIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1=CCCC1 ZINC000468621280 331437597 /nfs/dbraw/zinc/43/75/97/331437597.db2.gz WPSUWXCXNYGARL-KAMYIIQDSA-N 1 0 286.375 4.088 20 5 CIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(C)(C)C ZINC000468643916 331438131 /nfs/dbraw/zinc/43/81/31/331438131.db2.gz VMOOGGMFGZTNFA-JLHYYAGUSA-N 1 0 276.380 4.024 20 5 CIBDRO CCc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000469758916 331457105 /nfs/dbraw/zinc/45/71/05/331457105.db2.gz TZQGEVGOLDLUQZ-CQSZACIVSA-N 1 0 298.386 4.316 20 5 CIBDRO CCOc1ccc([C@@H](C)[NH2+]CCC=C(C)C)cc1[N+](=O)[O-] ZINC000479289752 331723942 /nfs/dbraw/zinc/72/39/42/331723942.db2.gz VYPUBYBCPACCPU-CYBMUJFWSA-N 1 0 292.379 4.000 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]C/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000482959637 331854188 /nfs/dbraw/zinc/85/41/88/331854188.db2.gz KELCNQCISIBZNJ-WUKHSURWSA-N 1 0 296.370 4.267 20 5 CIBDRO CC[C@H]([NH2+]C1CC(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488431847 332007753 /nfs/dbraw/zinc/00/77/53/332007753.db2.gz ONMUAXVUBVKINM-XUJLQICISA-N 1 0 276.380 4.070 20 5 CIBDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000489299492 332045919 /nfs/dbraw/zinc/04/59/19/332045919.db2.gz YBZQKBPJXYUONB-OLZOCXBDSA-N 1 0 264.369 4.024 20 5 CIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1(C)CCCC1 ZINC000489846359 332070084 /nfs/dbraw/zinc/07/00/84/332070084.db2.gz WNDRHWGTIJHXLU-UHFFFAOYSA-N 1 0 282.771 4.013 20 5 CIBDRO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489865383 332070753 /nfs/dbraw/zinc/07/07/53/332070753.db2.gz XLMDUPCVYCYTID-UHFFFAOYSA-N 1 0 282.771 4.013 20 5 CIBDRO CC(C)([NH2+]C/C=C/c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000492149547 332384648 /nfs/dbraw/zinc/38/46/48/332384648.db2.gz FRHQBOYMIYPRSA-DHZHZOJOSA-N 1 0 296.370 4.133 20 5 CIBDRO CC1(C)C[C@@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494714533 332484427 /nfs/dbraw/zinc/48/44/27/332484427.db2.gz JDDLEXKNCPWHMW-DLBZAZTESA-N 1 0 296.370 4.072 20 5 CIBDRO Cc1c([C@@H](C)[NH2+]C/C=C\c2ccccc2)cccc1[N+](=O)[O-] ZINC000495395640 332516999 /nfs/dbraw/zinc/51/69/99/332516999.db2.gz GTSPNQRVQUITMR-YYRKOSNBSA-N 1 0 296.370 4.267 20 5 CIBDRO CC(C)(C)CC(C)(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000505816038 332753250 /nfs/dbraw/zinc/75/32/50/332753250.db2.gz SMAOVBCISSAIOM-UHFFFAOYSA-N 1 0 282.359 4.038 20 5 CIBDRO CCC(CC)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513786866 333039253 /nfs/dbraw/zinc/03/92/53/333039253.db2.gz OPWKCLNJZNYHJU-XJKSGUPXSA-N 1 0 290.407 4.084 20 5 CIBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000517551789 333102387 /nfs/dbraw/zinc/10/23/87/333102387.db2.gz VYJCEQHOGNRXSE-GDBMZVCRSA-N 1 0 276.380 4.043 20 5 CIBDRO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237001777 333377059 /nfs/dbraw/zinc/37/70/59/333377059.db2.gz PAWSZEBPCUZTLA-NSHDSACASA-N 1 0 290.388 4.211 20 5 CIBDRO C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000237570380 333380359 /nfs/dbraw/zinc/38/03/59/333380359.db2.gz GJUOBIRPYPLACB-LSDHHAIUSA-N 1 0 298.386 4.439 20 5 CIBDRO Cc1ccccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000537963421 333551374 /nfs/dbraw/zinc/55/13/74/333551374.db2.gz LFKCZLNIKMSFGJ-OAHLLOKOSA-N 1 0 298.386 4.105 20 5 CIBDRO Cc1ccccc1CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000539277308 333663713 /nfs/dbraw/zinc/66/37/13/333663713.db2.gz XDFCLAGHJPOLGJ-OAHLLOKOSA-N 1 0 298.386 4.187 20 5 CIBDRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000544899150 333951726 /nfs/dbraw/zinc/95/17/26/333951726.db2.gz YPHFTUFMSOGZGV-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000548930648 334180797 /nfs/dbraw/zinc/18/07/97/334180797.db2.gz VTCVUMUQIDZVQR-LLVKDONJSA-N 1 0 282.409 4.057 20 5 CIBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000550629919 334225657 /nfs/dbraw/zinc/22/56/57/334225657.db2.gz YDXVCOHFCSJCFR-CYBMUJFWSA-N 1 0 296.370 4.323 20 5 CIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000551063595 334237660 /nfs/dbraw/zinc/23/76/60/334237660.db2.gz WDVBJYFRDIXKLR-CYBMUJFWSA-N 1 0 296.370 4.323 20 5 CIBDRO Cc1cccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC000089512724 334346200 /nfs/dbraw/zinc/34/62/00/334346200.db2.gz XEHPVOXZOGZIQS-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000568492365 334826968 /nfs/dbraw/zinc/82/69/68/334826968.db2.gz JVCVUUGOCGBAQS-LMWSTFAQSA-N 1 0 276.380 4.070 20 5 CIBDRO CC[C@H]([NH2+]Cc1cc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000344618555 335260288 /nfs/dbraw/zinc/26/02/88/335260288.db2.gz VMGMGEFSMQIYQK-HNNXBMFYSA-N 1 0 290.388 4.206 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](C)CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000346549378 335368955 /nfs/dbraw/zinc/36/89/55/335368955.db2.gz BQQPQMXEDOWHJZ-BLLLJJGKSA-N 1 0 276.380 4.214 20 5 CIBDRO C[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000178645238 335442945 /nfs/dbraw/zinc/44/29/45/335442945.db2.gz BPHYRMSMUBYDFM-LBPRGKRZSA-N 1 0 296.326 4.192 20 5 CIBDRO C[C@@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000387338215 336192910 /nfs/dbraw/zinc/19/29/10/336192910.db2.gz VOPABJVIPTVOSW-GJZGRUSLSA-N 1 0 298.386 4.439 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000540154194 518189926 /nfs/dbraw/zinc/18/99/26/518189926.db2.gz XIILYZPOFWMVJE-ZDUSSCGKSA-N 1 0 288.391 4.134 20 5 CIBDRO CCC[C@H]([NH2+]Cc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000063152326 521167160 /nfs/dbraw/zinc/16/71/60/521167160.db2.gz QXXACVDEIUNXSR-HNNXBMFYSA-N 1 0 290.388 4.287 20 5 CIBDRO Cc1cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000037122816 525523503 /nfs/dbraw/zinc/52/35/03/525523503.db2.gz GZSFOYADAMKPOB-NSHDSACASA-N 1 0 290.388 4.124 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000061360584 525620262 /nfs/dbraw/zinc/62/02/62/525620262.db2.gz GLOJGWMCLLCXGC-WDEREUQCSA-N 1 0 276.361 4.068 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000036959938 525740845 /nfs/dbraw/zinc/74/08/45/525740845.db2.gz PNKLSAZJXCAEQN-QWHCGFSZSA-N 1 0 288.347 4.216 20 5 CIBDRO Cc1ccsc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000094195532 525860293 /nfs/dbraw/zinc/86/02/93/525860293.db2.gz JQGROAVORJBMFT-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000049159374 525935332 /nfs/dbraw/zinc/93/53/32/525935332.db2.gz PFWLFBDHWCFIRC-RYUDHWBXSA-N 1 0 290.388 4.377 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000036959936 525935423 /nfs/dbraw/zinc/93/54/23/525935423.db2.gz PNKLSAZJXCAEQN-STQMWFEESA-N 1 0 288.347 4.216 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000049159383 525943997 /nfs/dbraw/zinc/94/39/97/525943997.db2.gz PFWLFBDHWCFIRC-NEPJUHHUSA-N 1 0 290.388 4.377 20 5 CIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000020124314 171006257 /nfs/dbraw/zinc/00/62/57/171006257.db2.gz YQEIWRNGMHGNOU-LLVKDONJSA-N 1 0 290.750 4.099 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000020148647 171036923 /nfs/dbraw/zinc/03/69/23/171036923.db2.gz DDWGVFPUMZXURO-WDEREUQCSA-N 1 0 276.361 4.068 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000020526239 171239587 /nfs/dbraw/zinc/23/95/87/171239587.db2.gz SFFQBAPTEIRPFF-NWDGAFQWSA-N 1 0 288.322 4.146 20 5 CIBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000037177134 173010670 /nfs/dbraw/zinc/01/06/70/173010670.db2.gz NWILUIDVZVFZFU-GHMZBOCLSA-N 1 0 276.361 4.068 20 5 CIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352543817 227049754 /nfs/dbraw/zinc/04/97/54/227049754.db2.gz KECPEJKLXMGFGI-CYBMUJFWSA-N 1 0 298.342 4.038 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000037764727 260116927 /nfs/dbraw/zinc/11/69/27/260116927.db2.gz PKHNQQMYGBONHC-RYUDHWBXSA-N 1 0 288.322 4.146 20 5 CIBDRO Cc1cccc([C@H](C)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000525462376 260154904 /nfs/dbraw/zinc/15/49/04/260154904.db2.gz LQGZZWVCXVKESX-OAHLLOKOSA-N 1 0 298.386 4.105 20 5 CIBDRO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000521190182 260378345 /nfs/dbraw/zinc/37/83/45/260378345.db2.gz OQMUPOPKKMFXDS-BNOWGMLFSA-N 1 0 294.420 4.057 20 5 CIBDRO CCSCC[C@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000132274990 260494493 /nfs/dbraw/zinc/49/44/93/260494493.db2.gz LWJRDLIRMMQYCW-SWLSCSKDSA-N 1 0 296.436 4.167 20 5 CIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173399561 261162201 /nfs/dbraw/zinc/16/22/01/261162201.db2.gz XCMLYKZRISXWIJ-FZKQIMNGSA-N 1 0 296.370 4.241 20 5 CIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000163688854 261325395 /nfs/dbraw/zinc/32/53/95/261325395.db2.gz PTMUGGJTEQOGEM-CZUORRHYSA-N 1 0 299.374 4.100 20 5 CIBDRO C[C@H](Nc1cc2c(c[nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000462950709 261723107 /nfs/dbraw/zinc/72/31/07/261723107.db2.gz PCTDKSXSWGEONQ-LBPRGKRZSA-N 1 0 297.358 4.042 20 5 CIBDRO Cc1c(C[NH2+][C@H]2C[C@@H](C)c3ccccc32)cccc1[N+](=O)[O-] ZINC000319965370 262380879 /nfs/dbraw/zinc/38/08/79/262380879.db2.gz CZOHEBLBUOINFO-PXAZEXFGSA-N 1 0 296.370 4.241 20 5 CIBDRO CCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000519160629 265347036 /nfs/dbraw/zinc/34/70/36/265347036.db2.gz UKWKYLADZBAKDG-ZDUSSCGKSA-N 1 0 294.395 4.002 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000378924675 327766894 /nfs/dbraw/zinc/76/68/94/327766894.db2.gz RQHGBEKSKJDCHS-LSDHHAIUSA-N 1 0 298.386 4.267 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000049183108 328346097 /nfs/dbraw/zinc/34/60/97/328346097.db2.gz INKACJYUZLETQK-GFCCVEGCSA-N 1 0 290.388 4.124 20 5 CIBDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000050015636 328381844 /nfs/dbraw/zinc/38/18/44/328381844.db2.gz JPDIPDNKPODLHJ-LLVKDONJSA-N 1 0 290.388 4.070 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+]CC2(C3CC3)CCC2)cc1[N+](=O)[O-] ZINC000391407986 328978661 /nfs/dbraw/zinc/97/86/61/328978661.db2.gz IJTGMLXHSMCOQL-ZDUSSCGKSA-N 1 0 288.391 4.134 20 5 CIBDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000536866210 330253048 /nfs/dbraw/zinc/25/30/48/330253048.db2.gz YYXIYZCBIAEYRE-FHSNZYRGSA-N 1 0 296.370 4.179 20 5 CIBDRO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536872146 330269292 /nfs/dbraw/zinc/26/92/92/330269292.db2.gz SJSQYMVSFZTTFV-FZKQIMNGSA-N 1 0 296.370 4.241 20 5 CIBDRO CC[C@@H](C)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453050755 331084757 /nfs/dbraw/zinc/08/47/57/331084757.db2.gz AHWHCVHXXLOPAI-CXAGYDPISA-N 1 0 284.359 4.072 20 5 CIBDRO Cc1csc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000453321978 331116435 /nfs/dbraw/zinc/11/64/35/331116435.db2.gz QBAMVOQXZJOSMN-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO Cc1csc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000453321977 331116481 /nfs/dbraw/zinc/11/64/81/331116481.db2.gz QBAMVOQXZJOSMN-GFCCVEGCSA-N 1 0 290.388 4.124 20 5 CIBDRO CC[C@@H]([NH2+]CCC1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000453445405 331132247 /nfs/dbraw/zinc/13/22/47/331132247.db2.gz YLAVAFCWLIZTEK-CQSZACIVSA-N 1 0 298.333 4.071 20 5 CIBDRO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000467836396 331424420 /nfs/dbraw/zinc/42/44/20/331424420.db2.gz KVZKHABXOGLZFD-AVGNSLFASA-N 1 0 276.380 4.070 20 5 CIBDRO C[C@H](CCC1CC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000469808046 331461582 /nfs/dbraw/zinc/46/15/82/331461582.db2.gz PDTFPMBVGPOPNG-KGLIPLIRSA-N 1 0 290.407 4.084 20 5 CIBDRO CC(C)=CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000479272674 331723245 /nfs/dbraw/zinc/72/32/45/331723245.db2.gz RJTOSNROOYBOBT-GOSISDBHSA-N 1 0 296.370 4.240 20 5 CIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000479870946 331749968 /nfs/dbraw/zinc/74/99/68/331749968.db2.gz DFFULZMBEFAFHT-OSAQELSMSA-N 1 0 276.380 4.133 20 5 CIBDRO CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000482256656 331829386 /nfs/dbraw/zinc/82/93/86/331829386.db2.gz NFYSSWKQOJHWTJ-PBHICJAKSA-N 1 0 298.386 4.267 20 5 CIBDRO Cc1cccc([C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000489070725 332040306 /nfs/dbraw/zinc/04/03/06/332040306.db2.gz IOFXIHYTZZDNMT-AWEZNQCLSA-N 1 0 284.359 4.096 20 5 CIBDRO CCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491343959 332193875 /nfs/dbraw/zinc/19/38/75/332193875.db2.gz USQANSDXPTUMHZ-QGZVFWFLSA-N 1 0 284.359 4.074 20 5 CIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CCCC2)c2ccccc2)c1 ZINC000491420675 332208702 /nfs/dbraw/zinc/20/87/02/332208702.db2.gz BVGKYAMADXUDLH-SFHVURJKSA-N 1 0 296.370 4.216 20 5 CIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000504912624 332724573 /nfs/dbraw/zinc/72/45/73/332724573.db2.gz YMJTXAQTYBLASU-AGIUHOORSA-N 1 0 294.395 4.079 20 5 CIBDRO CCC(CC)[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000517126220 333093011 /nfs/dbraw/zinc/09/30/11/333093011.db2.gz XXFWWPMFPAJONK-UHFFFAOYSA-N 1 0 276.380 4.056 20 5 CIBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000517551790 333102251 /nfs/dbraw/zinc/10/22/51/333102251.db2.gz VYJCEQHOGNRXSE-GOEBONIOSA-N 1 0 276.380 4.043 20 5 CIBDRO CCC[C@@H]([NH2+]CC1(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000222356282 333191681 /nfs/dbraw/zinc/19/16/81/333191681.db2.gz HWXDPDGQXGBCGY-MRXNPFEDSA-N 1 0 288.391 4.216 20 5 CIBDRO CCCC[C@@H](CCC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000226269679 333255698 /nfs/dbraw/zinc/25/56/98/333255698.db2.gz RFUWGNFYJKTGEV-GFCCVEGCSA-N 1 0 270.398 4.105 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000037668308 333535953 /nfs/dbraw/zinc/53/59/53/333535953.db2.gz YDRPMDGNTIVDQU-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000037775600 333539227 /nfs/dbraw/zinc/53/92/27/333539227.db2.gz AACZSMXOQUZYLY-UONOGXRCSA-N 1 0 284.359 4.315 20 5 CIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000540163007 333716104 /nfs/dbraw/zinc/71/61/04/333716104.db2.gz IAKGAVXMEVXLIB-NEPJUHHUSA-N 1 0 298.333 4.132 20 5 CIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000540165282 333716632 /nfs/dbraw/zinc/71/66/32/333716632.db2.gz QSYINEIFKMOKMP-CHWSQXEVSA-N 1 0 276.380 4.133 20 5 CIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000540165285 333716705 /nfs/dbraw/zinc/71/67/05/333716705.db2.gz QSYINEIFKMOKMP-QWHCGFSZSA-N 1 0 276.380 4.133 20 5 CIBDRO Cc1cccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000544595062 333939067 /nfs/dbraw/zinc/93/90/67/333939067.db2.gz WZHXRSOQDZOKQV-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO CC(C)([NH2+]C/C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000546578361 334038745 /nfs/dbraw/zinc/03/87/45/334038745.db2.gz NLOWHXZSXSBZCS-TWGQIWQCSA-N 1 0 296.370 4.133 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000546692007 334046297 /nfs/dbraw/zinc/04/62/97/334046297.db2.gz MFELMNVGFAMQAR-CHWSQXEVSA-N 1 0 276.380 4.133 20 5 CIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1=CCCC1 ZINC000547363068 334083629 /nfs/dbraw/zinc/08/36/29/334083629.db2.gz HQIFMQHSGJBQIM-AWEZNQCLSA-N 1 0 288.391 4.006 20 5 CIBDRO C[C@@H]1CC[C@@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552074480 334286278 /nfs/dbraw/zinc/28/62/78/334286278.db2.gz PRHRYXLJFVACRI-JEBQAFNWSA-N 1 0 296.370 4.072 20 5 CIBDRO CCSCC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152822900 334517488 /nfs/dbraw/zinc/51/74/88/334517488.db2.gz UEDKFDQAJUPRKE-AAEUAGOBSA-N 1 0 296.436 4.086 20 5 CIBDRO CCC1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000382557823 336093739 /nfs/dbraw/zinc/09/37/39/336093739.db2.gz KHCBFHBFPVAHCB-UHFFFAOYSA-N 1 0 282.771 4.061 20 5 CIBDRO Cc1cc(C)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000386762112 336178557 /nfs/dbraw/zinc/17/85/57/336178557.db2.gz FOLFEDLDYRVFIJ-OAHLLOKOSA-N 1 0 298.386 4.371 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000037775559 525740674 /nfs/dbraw/zinc/74/06/74/525740674.db2.gz BVJTXLDVEXGHDU-NWDGAFQWSA-N 1 0 290.388 4.377 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000049159369 525742815 /nfs/dbraw/zinc/74/28/15/525742815.db2.gz PFWLFBDHWCFIRC-NWDGAFQWSA-N 1 0 290.388 4.377 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccsc2)cc1[N+](=O)[O-] ZINC000061360961 525748053 /nfs/dbraw/zinc/74/80/53/525748053.db2.gz PEUWULRUXFGNBO-VXGBXAGGSA-N 1 0 290.388 4.377 20 5 CIBDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020126363 171010125 /nfs/dbraw/zinc/01/01/25/171010125.db2.gz DVXKROWMCAONRT-UONOGXRCSA-N 1 0 284.359 4.315 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000020526240 171239278 /nfs/dbraw/zinc/23/92/78/171239278.db2.gz LZEIAOQFMOYLTO-WDEREUQCSA-N 1 0 276.361 4.068 20 5 CIBDRO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000035766033 172407339 /nfs/dbraw/zinc/40/73/39/172407339.db2.gz NRXGQDALCUOEGC-UHFFFAOYSA-N 1 0 282.771 4.013 20 5 CIBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192600029 228167097 /nfs/dbraw/zinc/16/70/97/228167097.db2.gz XRTQLXIGVHHQFY-GOSISDBHSA-N 1 0 296.370 4.070 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000037177127 260072704 /nfs/dbraw/zinc/07/27/04/260072704.db2.gz MVWWYGIVZXDWMP-RYUDHWBXSA-N 1 0 288.322 4.146 20 5 CIBDRO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000521190184 260378065 /nfs/dbraw/zinc/37/80/65/260378065.db2.gz OQMUPOPKKMFXDS-MRVWCRGKSA-N 1 0 294.420 4.057 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000152882059 261070801 /nfs/dbraw/zinc/07/08/01/261070801.db2.gz KVGIVJJRTJFNQL-KBPBESRZSA-N 1 0 284.359 4.315 20 5 CIBDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000107320141 261377272 /nfs/dbraw/zinc/37/72/72/261377272.db2.gz NYIJOUAUCVFMGB-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000184412246 262019303 /nfs/dbraw/zinc/01/93/03/262019303.db2.gz JQPZPEMVTHUYFB-ZIAGYGMSSA-N 1 0 299.374 4.018 20 5 CIBDRO Cc1ccnc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000285990302 263096737 /nfs/dbraw/zinc/09/67/37/263096737.db2.gz GZPLFTURWSSXMQ-KGLIPLIRSA-N 1 0 299.374 4.018 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000094322246 265237241 /nfs/dbraw/zinc/23/72/41/265237241.db2.gz DJSDTMOOOXFHRH-SWLSCSKDSA-N 1 0 276.380 4.133 20 5 CIBDRO Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000160923734 328095151 /nfs/dbraw/zinc/09/51/51/328095151.db2.gz NUFXIVDJCHODHT-GFCCVEGCSA-N 1 0 290.388 4.124 20 5 CIBDRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000049092688 328336596 /nfs/dbraw/zinc/33/65/96/328336596.db2.gz ZHHPSEGIQQTLOJ-XUJVJEKNSA-N 1 0 264.369 4.070 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000049556690 328373214 /nfs/dbraw/zinc/37/32/14/328373214.db2.gz LEWIPTBYLOXWSN-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO C[C@H]([NH2+][C@@H]1C=CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000559147276 327143195 /nfs/dbraw/zinc/14/31/95/327143195.db2.gz PWQXNOISFCRTOW-DZGCQCFKSA-N 1 0 274.364 4.134 20 5 CIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCc1ccccc1 ZINC000533881702 327231558 /nfs/dbraw/zinc/23/15/58/327231558.db2.gz SKJZQIZOBQBAOC-HNNXBMFYSA-N 1 0 298.386 4.220 20 5 CIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000527355343 328665398 /nfs/dbraw/zinc/66/53/98/328665398.db2.gz PJTQVMGKDGTRHD-IRXDYDNUSA-N 1 0 296.370 4.021 20 5 CIBDRO CC(C)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000441448148 330769054 /nfs/dbraw/zinc/76/90/54/330769054.db2.gz OMYXISDPKGEZSM-CYBMUJFWSA-N 1 0 276.380 4.024 20 5 CIBDRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453248913 331107189 /nfs/dbraw/zinc/10/71/89/331107189.db2.gz SJSQYMVSFZTTFV-SCLBCKFNSA-N 1 0 296.370 4.241 20 5 CIBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000462728650 331325689 /nfs/dbraw/zinc/32/56/89/331325689.db2.gz KVHCQHIRJHNEHG-OIOXUXFSSA-N 1 0 288.391 4.166 20 5 CIBDRO C[C@@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000462758478 331327670 /nfs/dbraw/zinc/32/76/70/331327670.db2.gz ALTUDXZXCYEGCG-ZBFHGGJFSA-N 1 0 290.407 4.086 20 5 CIBDRO Cc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000462769815 331328032 /nfs/dbraw/zinc/32/80/32/331328032.db2.gz ZRZOMGJZCPRKQR-UHFFFAOYSA-N 1 0 298.386 4.016 20 5 CIBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000463924421 331353989 /nfs/dbraw/zinc/35/39/89/331353989.db2.gz GRFMBCSZYUHFAQ-BXUZGUMPSA-N 1 0 264.369 4.070 20 5 CIBDRO CC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464775569 331367442 /nfs/dbraw/zinc/36/74/42/331367442.db2.gz MIGNKCHTGXSMNF-BBRMVZONSA-N 1 0 276.380 4.168 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC23CCCC3)cc1[N+](=O)[O-] ZINC000474070263 331567561 /nfs/dbraw/zinc/56/75/61/331567561.db2.gz ZDNBDGWRFDLDPW-BBRMVZONSA-N 1 0 288.391 4.277 20 5 CIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC=C(C)C ZINC000479289070 331723625 /nfs/dbraw/zinc/72/36/25/331723625.db2.gz VCXRIHDNQNGALP-CYBMUJFWSA-N 1 0 294.420 4.021 20 5 CIBDRO CC[C@H]([NH2+]Cc1cc(C)cc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000487516568 331972073 /nfs/dbraw/zinc/97/20/73/331972073.db2.gz GGGRLWCUOOOVRH-SFHVURJKSA-N 1 0 298.386 4.453 20 5 CIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000489308669 332046588 /nfs/dbraw/zinc/04/65/88/332046588.db2.gz VOEJAVXEXAXHAM-HOCLYGCPSA-N 1 0 296.370 4.145 20 5 CIBDRO CC(C)(C)C(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000552294614 334314351 /nfs/dbraw/zinc/31/43/51/334314351.db2.gz XDJGDSBCYBWIJR-CSKARUKUSA-N 1 0 276.380 4.022 20 5 CIBDRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000503857967 332697023 /nfs/dbraw/zinc/69/70/23/332697023.db2.gz QCZLWYQHNYCMKQ-LLVKDONJSA-N 1 0 298.333 4.071 20 5 CIBDRO C[C@@H]([NH2+]Cc1ccc2occc2c1)c1cccc([N+](=O)[O-])c1 ZINC000512097193 332953663 /nfs/dbraw/zinc/95/36/63/332953663.db2.gz CIAUIMHNTJAXFY-GFCCVEGCSA-N 1 0 296.326 4.192 20 5 CIBDRO CCCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000513115573 333005020 /nfs/dbraw/zinc/00/50/20/333005020.db2.gz SDIQBRNWYPDJFI-AWEZNQCLSA-N 1 0 298.386 4.398 20 5 CIBDRO CCCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000513115574 333005056 /nfs/dbraw/zinc/00/50/56/333005056.db2.gz SDIQBRNWYPDJFI-CQSZACIVSA-N 1 0 298.386 4.398 20 5 CIBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000336846465 335120907 /nfs/dbraw/zinc/12/09/07/335120907.db2.gz AESXYUHXYTXKQZ-INIZCTEOSA-N 1 0 284.359 4.144 20 5 CIBDRO Cc1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000191680866 333223517 /nfs/dbraw/zinc/22/35/17/333223517.db2.gz ADDXBZIESWNVMB-UHFFFAOYSA-N 1 0 296.370 4.070 20 5 CIBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000523527921 333332231 /nfs/dbraw/zinc/33/22/31/333332231.db2.gz ZRCKTMBIXJLGLP-ZDUSSCGKSA-N 1 0 278.396 4.100 20 5 CIBDRO CC(C)(CCc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000236591885 333373833 /nfs/dbraw/zinc/37/38/33/333373833.db2.gz NUDJDPZVGOVCKY-UHFFFAOYSA-N 1 0 298.386 4.096 20 5 CIBDRO Cc1c(C[NH2+][C@@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000315779924 333383807 /nfs/dbraw/zinc/38/38/07/333383807.db2.gz VRRDVMSXSYEFMN-QGZVFWFLSA-N 1 0 296.370 4.070 20 5 CIBDRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000328557175 333535156 /nfs/dbraw/zinc/53/51/56/333535156.db2.gz BGLUPJTXESCYCA-GFCCVEGCSA-N 1 0 276.380 4.072 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000037772294 333539125 /nfs/dbraw/zinc/53/91/25/333539125.db2.gz BKQROMHXSNAWII-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037775592 333539254 /nfs/dbraw/zinc/53/92/54/333539254.db2.gz BPQXCJDPCPPOKP-CHWSQXEVSA-N 1 0 276.380 4.214 20 5 CIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000037775702 333539296 /nfs/dbraw/zinc/53/92/96/333539296.db2.gz AHVBHOTYWVBBAX-RISCZKNCSA-N 1 0 290.388 4.458 20 5 CIBDRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000037775598 333539356 /nfs/dbraw/zinc/53/93/56/333539356.db2.gz AACZSMXOQUZYLY-KBPBESRZSA-N 1 0 284.359 4.315 20 5 CIBDRO CCCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000537957994 333550911 /nfs/dbraw/zinc/55/09/11/333550911.db2.gz BXBFUKIKVCWBOP-CYBMUJFWSA-N 1 0 276.380 4.134 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000540917184 333753379 /nfs/dbraw/zinc/75/33/79/333753379.db2.gz WDBMOWRUGDCKKL-PPYMECGQSA-N 1 0 296.370 4.267 20 5 CIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000070788187 333829787 /nfs/dbraw/zinc/82/97/87/333829787.db2.gz KVMJOYOUSSBQIE-ACJLOTCBSA-N 1 0 296.370 4.323 20 5 CIBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000072727126 333955527 /nfs/dbraw/zinc/95/55/27/333955527.db2.gz JKEOKQINVOVOPM-GFCCVEGCSA-N 1 0 296.326 4.192 20 5 CIBDRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000546225172 334020240 /nfs/dbraw/zinc/02/02/40/334020240.db2.gz BGPKDEJESVKHBZ-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cc3ccccc3s2)c1 ZINC000549830871 334206062 /nfs/dbraw/zinc/20/60/62/334206062.db2.gz NOXSJFVDSOJWTC-UHFFFAOYSA-N 1 0 298.367 4.099 20 5 CIBDRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000550861000 334230805 /nfs/dbraw/zinc/23/08/05/334230805.db2.gz TXTNLDLFUWHBGL-LMWSTFAQSA-N 1 0 276.380 4.070 20 5 CIBDRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512522 334346185 /nfs/dbraw/zinc/34/61/85/334346185.db2.gz LIELTOLJOBDARN-XJKSGUPXSA-N 1 0 296.370 4.241 20 5 CIBDRO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000252450611 334380637 /nfs/dbraw/zinc/38/06/37/334380637.db2.gz PQXKZLPOLDLKNC-RSUWNVLCSA-N 1 0 276.380 4.070 20 5 CIBDRO CC[C@@H]([NH2+]Cc1cc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000344618559 335260339 /nfs/dbraw/zinc/26/03/39/335260339.db2.gz VMGMGEFSMQIYQK-OAHLLOKOSA-N 1 0 290.388 4.206 20 5 CIBDRO CCC[C@H]([NH2+]Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000020139642 521165397 /nfs/dbraw/zinc/16/53/97/521165397.db2.gz ZHSFMTVYYFTVKV-HNNXBMFYSA-N 1 0 290.388 4.287 20 5 CIBDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000037775665 525525332 /nfs/dbraw/zinc/52/53/32/525525332.db2.gz HAUFIKJFGJAHOC-RYUDHWBXSA-N 1 0 288.347 4.216 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000061360582 525535305 /nfs/dbraw/zinc/53/53/05/525535305.db2.gz GLOJGWMCLLCXGC-QWRGUYRKSA-N 1 0 276.361 4.068 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000049159378 525745798 /nfs/dbraw/zinc/74/57/98/525745798.db2.gz PFWLFBDHWCFIRC-VXGBXAGGSA-N 1 0 290.388 4.377 20 5 CIBDRO CCc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000035009772 260003707 /nfs/dbraw/zinc/00/37/07/260003707.db2.gz CBHMDOJLWHZAEN-ZDUSSCGKSA-N 1 0 284.359 4.008 20 5 CIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000020124123 171005770 /nfs/dbraw/zinc/00/57/70/171005770.db2.gz NAZVPJRZSXRGLL-NSHDSACASA-N 1 0 290.750 4.099 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000020148080 171035608 /nfs/dbraw/zinc/03/56/08/171035608.db2.gz KWSXSNSMEQOGIW-NWDGAFQWSA-N 1 0 288.322 4.146 20 5 CIBDRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526177 171238888 /nfs/dbraw/zinc/23/88/88/171238888.db2.gz PQUFIAQNGGSYKN-UONOGXRCSA-N 1 0 284.359 4.315 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000020526130 171238948 /nfs/dbraw/zinc/23/89/48/171238948.db2.gz OEKQTOUKUGQPAI-NEPJUHHUSA-N 1 0 288.322 4.146 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000020525899 171239069 /nfs/dbraw/zinc/23/90/69/171239069.db2.gz WWLAAIFHZBULEY-QWHCGFSZSA-N 1 0 270.332 4.007 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000020526236 171239359 /nfs/dbraw/zinc/23/93/59/171239359.db2.gz SFFQBAPTEIRPFF-NEPJUHHUSA-N 1 0 288.322 4.146 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000192930827 227390490 /nfs/dbraw/zinc/39/04/90/227390490.db2.gz LWSAKADZNKHSPU-GUYCJALGSA-N 1 0 296.370 4.241 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000037177129 260072911 /nfs/dbraw/zinc/07/29/11/260072911.db2.gz MVWWYGIVZXDWMP-NWDGAFQWSA-N 1 0 288.322 4.146 20 5 CIBDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177065 260072914 /nfs/dbraw/zinc/07/29/14/260072914.db2.gz KTXJNYFYSZJRCS-UONOGXRCSA-N 1 0 284.359 4.315 20 5 CIBDRO CC(C)c1ccc(C[NH2+]C2(C)CCCC2)cc1[N+](=O)[O-] ZINC000518274044 260365792 /nfs/dbraw/zinc/36/57/92/260365792.db2.gz VYYDTNDVNHEQPE-UHFFFAOYSA-N 1 0 276.380 4.141 20 5 CIBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000089553189 260445418 /nfs/dbraw/zinc/44/54/18/260445418.db2.gz LQFNVZJWVQPOEV-KGLIPLIRSA-N 1 0 284.359 4.315 20 5 CIBDRO Cc1c(CNc2cc[nH+]c3ccccc23)cccc1[N+](=O)[O-] ZINC000318420292 261076555 /nfs/dbraw/zinc/07/65/55/261076555.db2.gz YUJOSRSWEKVALY-UHFFFAOYSA-N 1 0 293.326 4.064 20 5 CIBDRO Cc1cc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000318480319 261212522 /nfs/dbraw/zinc/21/25/22/261212522.db2.gz GRZHJBUYHZOPJQ-UHFFFAOYSA-N 1 0 298.386 4.118 20 5 CIBDRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000314249172 261599776 /nfs/dbraw/zinc/59/97/76/261599776.db2.gz KEOVJDUJZIWIEZ-CABCVRRESA-N 1 0 298.386 4.267 20 5 CIBDRO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000184412212 262018843 /nfs/dbraw/zinc/01/88/43/262018843.db2.gz JQPZPEMVTHUYFB-KGLIPLIRSA-N 1 0 299.374 4.018 20 5 CIBDRO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000184412264 262018987 /nfs/dbraw/zinc/01/89/87/262018987.db2.gz JQPZPEMVTHUYFB-UONOGXRCSA-N 1 0 299.374 4.018 20 5 CIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000120075126 262180299 /nfs/dbraw/zinc/18/02/99/262180299.db2.gz SIBGUIQZRMHZPD-KRWDZBQOSA-N 1 0 296.370 4.152 20 5 CIBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000484505900 267347291 /nfs/dbraw/zinc/34/72/91/267347291.db2.gz WUUHAJSJJFUKJE-NFAWXSAZSA-N 1 0 276.380 4.133 20 5 CIBDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000049092690 328336594 /nfs/dbraw/zinc/33/65/94/328336594.db2.gz ZHHPSEGIQQTLOJ-HUBLWGQQSA-N 1 0 264.369 4.070 20 5 CIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000303900962 328365957 /nfs/dbraw/zinc/36/59/57/328365957.db2.gz LKELXPUQDLWEBQ-QGZVFWFLSA-N 1 0 298.386 4.048 20 5 CIBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000049529312 328367788 /nfs/dbraw/zinc/36/77/88/328367788.db2.gz JUUSEEDTPRJRCC-YPMHNXCESA-N 1 0 290.388 4.458 20 5 CIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000049529329 328367827 /nfs/dbraw/zinc/36/78/27/328367827.db2.gz KRXPSCVMDSZQCI-BXUZGUMPSA-N 1 0 290.388 4.458 20 5 CIBDRO CCc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000050015637 328381745 /nfs/dbraw/zinc/38/17/45/328381745.db2.gz JPDIPDNKPODLHJ-NSHDSACASA-N 1 0 290.388 4.070 20 5 CIBDRO CCC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000037562946 326855564 /nfs/dbraw/zinc/85/55/64/326855564.db2.gz CFZULZZTRUNMNN-AWEZNQCLSA-N 1 0 290.388 4.287 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCC2CC2)cc1[N+](=O)[O-] ZINC000398171396 326865106 /nfs/dbraw/zinc/86/51/06/326865106.db2.gz YYKYUXPXZKVIMB-STQMWFEESA-N 1 0 276.380 4.133 20 5 CIBDRO C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000409846060 327165935 /nfs/dbraw/zinc/16/59/35/327165935.db2.gz SVMWFJDCZTWGBG-VXGBXAGGSA-N 1 0 298.333 4.071 20 5 CIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000532211483 328707678 /nfs/dbraw/zinc/70/76/78/328707678.db2.gz AVRWATFBAYKPEK-HNNXBMFYSA-N 1 0 298.386 4.371 20 5 CIBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000532551087 328790660 /nfs/dbraw/zinc/79/06/60/328790660.db2.gz VACQUOACMDFGCX-KKUMJFAQSA-N 1 0 298.386 4.438 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+]C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000536834631 330230054 /nfs/dbraw/zinc/23/00/54/330230054.db2.gz XPNBPIKNKQXZER-NSHDSACASA-N 1 0 298.333 4.132 20 5 CIBDRO Cc1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000533081114 330329819 /nfs/dbraw/zinc/32/98/19/330329819.db2.gz HSVFIZYNSFGVHM-UHFFFAOYSA-N 1 0 296.370 4.068 20 5 CIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)cc1 ZINC000536883294 330361026 /nfs/dbraw/zinc/36/10/26/330361026.db2.gz QTBAOXVYFCSSDV-SFHVURJKSA-N 1 0 296.370 4.226 20 5 CIBDRO Cc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000120421045 330388599 /nfs/dbraw/zinc/38/85/99/330388599.db2.gz WIACJAGLDPGIEV-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CCCc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000314995065 330469929 /nfs/dbraw/zinc/46/99/29/330469929.db2.gz DCHQWRRIYHKOPC-CQSZACIVSA-N 1 0 298.386 4.398 20 5 CIBDRO CCc1ccccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429253126 330541188 /nfs/dbraw/zinc/54/11/88/330541188.db2.gz ABOPYQUNJQSQJA-UHFFFAOYSA-N 1 0 298.386 4.182 20 5 CIBDRO CC[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000430748587 330572864 /nfs/dbraw/zinc/57/28/64/330572864.db2.gz FESMZZGGTCKGOK-BXUZGUMPSA-N 1 0 298.333 4.071 20 5 CIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCC2)CC1 ZINC000441398724 330767649 /nfs/dbraw/zinc/76/76/49/330767649.db2.gz HRSHWBAVQYPUEC-CQSZACIVSA-N 1 0 288.391 4.312 20 5 CIBDRO CCC[C@@]1(C)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000464836113 331370444 /nfs/dbraw/zinc/37/04/44/331370444.db2.gz JSAIBBNCJFVMPR-AWEZNQCLSA-N 1 0 282.409 4.059 20 5 CIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000467845897 331424649 /nfs/dbraw/zinc/42/46/49/331424649.db2.gz HVIQDWMKORXVSX-RISCZKNCSA-N 1 0 264.369 4.070 20 5 CIBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000467855145 331424746 /nfs/dbraw/zinc/42/47/46/331424746.db2.gz UJPVMKWUNFGDED-WMHQRMGPSA-N 1 0 288.391 4.214 20 5 CIBDRO CCc1cccc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000469784327 331458507 /nfs/dbraw/zinc/45/85/07/331458507.db2.gz XAFKGUPJQLHECJ-SFHVURJKSA-N 1 0 298.386 4.398 20 5 CIBDRO Cc1ccc(C[NH2+]Cc2cccc(C(C)C)c2)cc1[N+](=O)[O-] ZINC000479400291 331727073 /nfs/dbraw/zinc/72/70/73/331727073.db2.gz XVRKXLRYOUBZKV-UHFFFAOYSA-N 1 0 298.386 4.316 20 5 CIBDRO C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000482196615 331826800 /nfs/dbraw/zinc/82/68/00/331826800.db2.gz DCIAWEGHOLQSOR-LSDHHAIUSA-N 1 0 298.386 4.124 20 5 CIBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000482196613 331826827 /nfs/dbraw/zinc/82/68/27/331826827.db2.gz DCIAWEGHOLQSOR-GJZGRUSLSA-N 1 0 298.386 4.124 20 5 CIBDRO CCc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000484173775 331894088 /nfs/dbraw/zinc/89/40/88/331894088.db2.gz IPINOYQSMSBPKI-AWEZNQCLSA-N 1 0 298.386 4.316 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+]C2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000486710727 331942678 /nfs/dbraw/zinc/94/26/78/331942678.db2.gz KUVAKOILFHZLHU-ZDUSSCGKSA-N 1 0 288.391 4.277 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000486710726 331942691 /nfs/dbraw/zinc/94/26/91/331942691.db2.gz KUVAKOILFHZLHU-CYBMUJFWSA-N 1 0 288.391 4.277 20 5 CIBDRO CC[C@@H]([NH2+]Cc1cc(C)cc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000487516566 331972084 /nfs/dbraw/zinc/97/20/84/331972084.db2.gz GGGRLWCUOOOVRH-GOSISDBHSA-N 1 0 298.386 4.453 20 5 CIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000489308667 332046617 /nfs/dbraw/zinc/04/66/17/332046617.db2.gz VOEJAVXEXAXHAM-GDBMZVCRSA-N 1 0 296.370 4.145 20 5 CIBDRO CC1(C)C[C@@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494714535 332484375 /nfs/dbraw/zinc/48/43/75/332484375.db2.gz JDDLEXKNCPWHMW-IRXDYDNUSA-N 1 0 296.370 4.072 20 5 CIBDRO Cc1c(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000495403682 332517192 /nfs/dbraw/zinc/51/71/92/332517192.db2.gz WMUTZLVMDPGHNW-HIFRSBDPSA-N 1 0 298.386 4.185 20 5 CIBDRO Cc1c(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000495403684 332517256 /nfs/dbraw/zinc/51/72/56/332517256.db2.gz WMUTZLVMDPGHNW-UKRRQHHQSA-N 1 0 298.386 4.185 20 5 CIBDRO C/C(=C\c1ccccc1)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000501385278 332631509 /nfs/dbraw/zinc/63/15/09/332631509.db2.gz CSHRJSVHHJZCII-ATGUSINASA-N 1 0 296.370 4.349 20 5 CIBDRO C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000502525106 332664667 /nfs/dbraw/zinc/66/46/67/332664667.db2.gz ABLKQWBEJRGDBW-VXGBXAGGSA-N 1 0 298.333 4.071 20 5 CIBDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000266859335 334693576 /nfs/dbraw/zinc/69/35/76/334693576.db2.gz KTNVCPOYHCXURL-FZKQIMNGSA-N 1 0 296.370 4.397 20 5 CIBDRO Cc1ccccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000195732295 333262552 /nfs/dbraw/zinc/26/25/52/333262552.db2.gz RQHICNZWLHMLEK-UHFFFAOYSA-N 1 0 296.370 4.068 20 5 CIBDRO CC[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000195732358 333262597 /nfs/dbraw/zinc/26/25/97/333262597.db2.gz SPYCFRFQMIXWGA-INIZCTEOSA-N 1 0 284.359 4.178 20 5 CIBDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522536253 333289198 /nfs/dbraw/zinc/28/91/98/333289198.db2.gz DTKKYFLNOGZJEH-CYBMUJFWSA-N 1 0 282.771 4.013 20 5 CIBDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000523442028 333327125 /nfs/dbraw/zinc/32/71/25/333327125.db2.gz HQHYBKPWDLCBLJ-OAHLLOKOSA-N 1 0 298.386 4.405 20 5 CIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000538260641 333581980 /nfs/dbraw/zinc/58/19/80/333581980.db2.gz HLVJXXBBKMLQOT-UHFFFAOYSA-N 1 0 298.386 4.182 20 5 CIBDRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513427 334346171 /nfs/dbraw/zinc/34/61/71/334346171.db2.gz DEBOIJWDMVYPHB-SUMWQHHRSA-N 1 0 296.370 4.241 20 5 CIBDRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000251775315 334369293 /nfs/dbraw/zinc/36/92/93/334369293.db2.gz IRFCBOBDGUPKSF-YNEHKIRRSA-N 1 0 264.369 4.070 20 5 CIBDRO Cc1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000381824820 336073510 /nfs/dbraw/zinc/07/35/10/336073510.db2.gz WTXIUOIITBBCDE-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO Cc1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000381824804 336073568 /nfs/dbraw/zinc/07/35/68/336073568.db2.gz WTXIUOIITBBCDE-GFCCVEGCSA-N 1 0 290.388 4.124 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000061360866 522915097 /nfs/dbraw/zinc/91/50/97/522915097.db2.gz NHUAPVXOCFUQPY-XHDPSFHLSA-N 1 0 290.388 4.458 20 5 CIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000050225205 524590183 /nfs/dbraw/zinc/59/01/83/524590183.db2.gz UPDUUNZXHPMPHK-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000044729616 525525370 /nfs/dbraw/zinc/52/53/70/525525370.db2.gz DMESEJLSBBWABB-RYUDHWBXSA-N 1 0 288.347 4.216 20 5 CIBDRO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070091650 525871016 /nfs/dbraw/zinc/87/10/16/525871016.db2.gz JOGKSKBEJUOVOZ-NWDGAFQWSA-N 1 0 290.388 4.377 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000049159557 525935132 /nfs/dbraw/zinc/93/51/32/525935132.db2.gz WPZGEZSUPVYNNC-RYUDHWBXSA-N 1 0 290.388 4.377 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](C)c1cc(C)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000353517012 529200110 /nfs/dbraw/zinc/20/01/10/529200110.db2.gz HMHGPAQCJHBFSG-XJKSGUPXSA-N 1 0 299.374 4.100 20 5 CIBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000020124120 171005884 /nfs/dbraw/zinc/00/58/84/171005884.db2.gz SIWIMLAXIOWALJ-LLVKDONJSA-N 1 0 290.750 4.099 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000020148078 171035058 /nfs/dbraw/zinc/03/50/58/171035058.db2.gz KWSXSNSMEQOGIW-RYUDHWBXSA-N 1 0 288.322 4.146 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000020148630 171037082 /nfs/dbraw/zinc/03/70/82/171037082.db2.gz KKYZCPOBRQAWJT-VXGBXAGGSA-N 1 0 290.388 4.377 20 5 CIBDRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526175 171239108 /nfs/dbraw/zinc/23/91/08/171239108.db2.gz PQUFIAQNGGSYKN-KBPBESRZSA-N 1 0 284.359 4.315 20 5 CIBDRO CC(C)c1ccc(C[NH2+]CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000518271127 260365438 /nfs/dbraw/zinc/36/54/38/260365438.db2.gz BPIHHFWBMFTDRS-UHFFFAOYSA-N 1 0 278.396 4.244 20 5 CIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173399572 261162587 /nfs/dbraw/zinc/16/25/87/261162587.db2.gz XCMLYKZRISXWIJ-ACJLOTCBSA-N 1 0 296.370 4.241 20 5 CIBDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122213592 262345814 /nfs/dbraw/zinc/34/58/14/262345814.db2.gz AFVHJKATGMCEGH-UGSOOPFHSA-N 1 0 296.370 4.397 20 5 CIBDRO CCC[C@@H]([NH2+]C(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000021060938 262375998 /nfs/dbraw/zinc/37/59/98/262375998.db2.gz BSZJEKCFOANKKU-MRXNPFEDSA-N 1 0 288.391 4.214 20 5 CIBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000320199783 262456590 /nfs/dbraw/zinc/45/65/90/262456590.db2.gz SWCPGIZFDWBILK-VFVRVIDISA-N 1 0 296.370 4.494 20 5 CIBDRO Cc1cscc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000094877609 265268809 /nfs/dbraw/zinc/26/88/09/265268809.db2.gz KGMZKTXEKIXEDB-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2csc3ccccc23)cc1 ZINC000048068576 328040978 /nfs/dbraw/zinc/04/09/78/328040978.db2.gz FEPOHSFHRRWQAR-UHFFFAOYSA-N 1 0 298.367 4.099 20 5 CIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccs1 ZINC000049530541 328368095 /nfs/dbraw/zinc/36/80/95/328368095.db2.gz LPBHDFPAGHHNAH-ZDUSSCGKSA-N 1 0 290.388 4.206 20 5 CIBDRO CCSCC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531984851 328378538 /nfs/dbraw/zinc/37/85/38/328378538.db2.gz UDNCDPUHYGSSSN-OLZOCXBDSA-N 1 0 296.436 4.086 20 5 CIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000049825316 328378848 /nfs/dbraw/zinc/37/88/48/328378848.db2.gz VGBVUJLODBUYAK-BZUAXINKSA-N 1 0 288.391 4.043 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC000050015545 328381893 /nfs/dbraw/zinc/38/18/93/328381893.db2.gz PNJANOAXJPJWNQ-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3sccc3c2)cc1 ZINC000558480240 327097530 /nfs/dbraw/zinc/09/75/30/327097530.db2.gz PAHDMVBLJMXIIE-UHFFFAOYSA-N 1 0 298.367 4.099 20 5 CIBDRO C[C@@H]([NH2+][C@H]1C=CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000559147277 327143315 /nfs/dbraw/zinc/14/33/15/327143315.db2.gz PWQXNOISFCRTOW-HIFRSBDPSA-N 1 0 274.364 4.134 20 5 CIBDRO C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000331341855 327424112 /nfs/dbraw/zinc/42/41/12/327424112.db2.gz YCFNAVATKPOZLB-NEPJUHHUSA-N 1 0 298.333 4.071 20 5 CIBDRO Cc1cccc(C)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160314077 327605371 /nfs/dbraw/zinc/60/53/71/327605371.db2.gz BYSSPGKKXIMZLE-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000051634444 328626341 /nfs/dbraw/zinc/62/63/41/328626341.db2.gz BZRBFGZLAHDXGX-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CCc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000052202864 328640793 /nfs/dbraw/zinc/64/07/93/328640793.db2.gz FGAXOZBLOMVEKY-ZDUSSCGKSA-N 1 0 284.359 4.008 20 5 CIBDRO CC[C@@H]([NH2+]C1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358376865 328882896 /nfs/dbraw/zinc/88/28/96/328882896.db2.gz IIRSZGQURHBROD-CQSZACIVSA-N 1 0 298.333 4.213 20 5 CIBDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000433244237 330214229 /nfs/dbraw/zinc/21/42/29/330214229.db2.gz FGBVCTFMAJNFIU-NSHDSACASA-N 1 0 294.782 4.013 20 5 CIBDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536872140 330269362 /nfs/dbraw/zinc/26/93/62/330269362.db2.gz SJSQYMVSFZTTFV-ACJLOTCBSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000120421199 330388648 /nfs/dbraw/zinc/38/86/48/330388648.db2.gz WIACJAGLDPGIEV-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000449348275 330917051 /nfs/dbraw/zinc/91/70/51/330917051.db2.gz LFSZXKAPZDEYSQ-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CC[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453050760 331084798 /nfs/dbraw/zinc/08/47/98/331084798.db2.gz AHWHCVHXXLOPAI-DYVFJYSZSA-N 1 0 284.359 4.072 20 5 CIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000453218905 331102836 /nfs/dbraw/zinc/10/28/36/331102836.db2.gz HGXCWIQTYMLHMO-NHYWBVRUSA-N 1 0 290.388 4.458 20 5 CIBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453222220 331103281 /nfs/dbraw/zinc/10/32/81/331103281.db2.gz KYGTZLZAZBVNBD-VBHSOAQHSA-N 1 0 296.370 4.494 20 5 CIBDRO CCc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000195663828 331180333 /nfs/dbraw/zinc/18/03/33/331180333.db2.gz KLQMXEAEHWRJFQ-AWEZNQCLSA-N 1 0 298.386 4.316 20 5 CIBDRO C[C@H](Nc1cc2c(c[nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000462959941 331335879 /nfs/dbraw/zinc/33/58/79/331335879.db2.gz XHYOFQOPUUQNOZ-LBPRGKRZSA-N 1 0 297.358 4.042 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000463924424 331354062 /nfs/dbraw/zinc/35/40/62/331354062.db2.gz GRFMBCSZYUHFAQ-SMDDNHRTSA-N 1 0 264.369 4.070 20 5 CIBDRO C[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000482196614 331826729 /nfs/dbraw/zinc/82/67/29/331826729.db2.gz DCIAWEGHOLQSOR-HUUCEWRRSA-N 1 0 298.386 4.124 20 5 CIBDRO CC[NH+](CC)CCS[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000484617683 331902706 /nfs/dbraw/zinc/90/27/06/331902706.db2.gz KJUDRIRTBGNFHT-CYBMUJFWSA-N 1 0 296.436 4.039 20 5 CIBDRO CC[C@@H]([NH2+]C1CC(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488431851 332007827 /nfs/dbraw/zinc/00/78/27/332007827.db2.gz ONMUAXVUBVKINM-ZBCRRDGASA-N 1 0 276.380 4.070 20 5 CIBDRO CCc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000492391715 332395504 /nfs/dbraw/zinc/39/55/04/332395504.db2.gz ANJDWJHOGDHQIR-UHFFFAOYSA-N 1 0 298.386 4.182 20 5 CIBDRO CC1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494038202 332461753 /nfs/dbraw/zinc/46/17/53/332461753.db2.gz KANBXRHWLJYPKY-QGZVFWFLSA-N 1 0 296.370 4.074 20 5 CIBDRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252033239 334373361 /nfs/dbraw/zinc/37/33/61/334373361.db2.gz ZROVCAVDRCQPOX-RWMBFGLXSA-N 1 0 264.369 4.070 20 5 CIBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000522536651 333289383 /nfs/dbraw/zinc/28/93/83/333289383.db2.gz ZWWGZVDPFXBOJI-UHFFFAOYSA-N 1 0 282.771 4.013 20 5 CIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000523588054 333333581 /nfs/dbraw/zinc/33/35/81/333333581.db2.gz OKOMJVSESOIABH-UHFFFAOYSA-N 1 0 288.391 4.141 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]C/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000237388147 333379232 /nfs/dbraw/zinc/37/92/32/333379232.db2.gz KELCNQCISIBZNJ-RZIFZGNASA-N 1 0 296.370 4.267 20 5 CIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc2ccccc2s1 ZINC000237938471 333382294 /nfs/dbraw/zinc/38/22/94/333382294.db2.gz RPYKJDHYWAGZAB-UHFFFAOYSA-N 1 0 298.367 4.099 20 5 CIBDRO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000037495495 333533918 /nfs/dbraw/zinc/53/39/18/333533918.db2.gz PZLJCZYVSFZYMX-NSHDSACASA-N 1 0 290.750 4.099 20 5 CIBDRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000037775597 333539339 /nfs/dbraw/zinc/53/93/39/333539339.db2.gz AACZSMXOQUZYLY-KGLIPLIRSA-N 1 0 284.359 4.315 20 5 CIBDRO CC(C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000538386400 333587471 /nfs/dbraw/zinc/58/74/71/333587471.db2.gz GKERUERCJAAITK-CSKARUKUSA-N 1 0 296.370 4.133 20 5 CIBDRO Cc1c([C@H](C)[NH2+]CC2(C3CC3)CCC2)cccc1[N+](=O)[O-] ZINC000539054132 333652207 /nfs/dbraw/zinc/65/22/07/333652207.db2.gz WSBMAHBXDNSKLS-ZDUSSCGKSA-N 1 0 288.391 4.134 20 5 CIBDRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000539093462 333657501 /nfs/dbraw/zinc/65/75/01/333657501.db2.gz LDYSPIJQLZPXBG-JSGCOSHPSA-N 1 0 294.395 4.223 20 5 CIBDRO CS[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000542500747 333828720 /nfs/dbraw/zinc/82/87/20/333828720.db2.gz XIANTNVORXIWBC-RISCZKNCSA-N 1 0 296.436 4.023 20 5 CIBDRO CS[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000543426610 333873723 /nfs/dbraw/zinc/87/37/23/333873723.db2.gz WMWNAZDCBHDKSI-RISCZKNCSA-N 1 0 296.436 4.023 20 5 CIBDRO CC(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236662495 334063440 /nfs/dbraw/zinc/06/34/40/334063440.db2.gz JHCMQAWAUUSKLV-UHFFFAOYSA-N 1 0 290.388 4.211 20 5 CIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C2CC2)c1 ZINC000551064173 334237739 /nfs/dbraw/zinc/23/77/39/334237739.db2.gz PSCOHVQWNOUDEY-ZDUSSCGKSA-N 1 0 296.370 4.323 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000551307305 334246016 /nfs/dbraw/zinc/24/60/16/334246016.db2.gz CUZMHTVZWGESNO-ZFWWWQNUSA-N 1 0 274.364 4.053 20 5 CIBDRO C[C@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000553063275 334359477 /nfs/dbraw/zinc/35/94/77/334359477.db2.gz JMIWSWFJXBURAV-CQSZACIVSA-N 1 0 298.386 4.223 20 5 CIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCCCCC2)cc1 ZINC000568695526 334836676 /nfs/dbraw/zinc/83/66/76/334836676.db2.gz FIXCRDHPGXLGFH-UHFFFAOYSA-N 1 0 290.407 4.230 20 5 CIBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccncc1 ZINC000163709474 334871910 /nfs/dbraw/zinc/87/19/10/334871910.db2.gz GANRZLORNHLMLA-GUYCJALGSA-N 1 0 299.374 4.100 20 5 CIBDRO CC[C@H]([NH2+][C@@H](C)CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000346549380 335369099 /nfs/dbraw/zinc/36/90/99/335369099.db2.gz BQQPQMXEDOWHJZ-LRDDRELGSA-N 1 0 276.380 4.214 20 5 CIBDRO C[C@@H]([NH2+]CC(C)(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000387070145 336184657 /nfs/dbraw/zinc/18/46/57/336184657.db2.gz UFWGFMFDXSAGCJ-CQSZACIVSA-N 1 0 298.386 4.223 20 5 CIBDRO C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000387338221 336192877 /nfs/dbraw/zinc/19/28/77/336192877.db2.gz VOPABJVIPTVOSW-LSDHHAIUSA-N 1 0 298.386 4.439 20 5 CIBDRO CC[C@@H]([NH2+][C@H](C)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000061360868 522937683 /nfs/dbraw/zinc/93/76/83/522937683.db2.gz NHUAPVXOCFUQPY-IAQYHMDHSA-N 1 0 290.388 4.458 20 5 CIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000050225204 524605407 /nfs/dbraw/zinc/60/54/07/524605407.db2.gz UPDUUNZXHPMPHK-GFCCVEGCSA-N 1 0 290.388 4.124 20 5 CIBDRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020126361 171010215 /nfs/dbraw/zinc/01/02/15/171010215.db2.gz DVXKROWMCAONRT-KBPBESRZSA-N 1 0 284.359 4.315 20 5 CIBDRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020126360 171010645 /nfs/dbraw/zinc/01/06/45/171010645.db2.gz DVXKROWMCAONRT-KGLIPLIRSA-N 1 0 284.359 4.315 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000020148644 171036574 /nfs/dbraw/zinc/03/65/74/171036574.db2.gz DDWGVFPUMZXURO-MNOVXSKESA-N 1 0 276.361 4.068 20 5 CIBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000020209956 171073881 /nfs/dbraw/zinc/07/38/81/171073881.db2.gz ORBAGYDEIQSAFY-NSHDSACASA-N 1 0 290.750 4.099 20 5 CIBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000035253020 172082457 /nfs/dbraw/zinc/08/24/57/172082457.db2.gz LXENEYLKHSUEQM-LLVKDONJSA-N 1 0 290.388 4.124 20 5 CIBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000037403748 173180032 /nfs/dbraw/zinc/18/00/32/173180032.db2.gz VVHDIOMKLXYSOK-UHFFFAOYSA-N 1 0 282.771 4.013 20 5 CIBDRO O=[N+]([O-])c1ccccc1C[N@H+](CC1CC1)C1CCCCC1 ZINC000078459097 177343030 /nfs/dbraw/zinc/34/30/30/177343030.db2.gz HAKLVTXZHSYSFY-UHFFFAOYSA-N 1 0 288.391 4.140 20 5 CIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000089553188 260445097 /nfs/dbraw/zinc/44/50/97/260445097.db2.gz LQFNVZJWVQPOEV-ZIAGYGMSSA-N 1 0 284.359 4.315 20 5 CIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000089552822 260445443 /nfs/dbraw/zinc/44/54/43/260445443.db2.gz LQFNVZJWVQPOEV-KBPBESRZSA-N 1 0 284.359 4.315 20 5 CIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(CCCCC3)C2)cs1 ZINC000522072670 261515069 /nfs/dbraw/zinc/51/50/69/261515069.db2.gz YSUSTRFXBJSEMD-UHFFFAOYSA-N 1 0 294.420 4.203 20 5 CIBDRO CC[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000390515867 262202822 /nfs/dbraw/zinc/20/28/22/262202822.db2.gz ALFBQVSAQSQLPP-OCCSQVGLSA-N 1 0 298.333 4.071 20 5 CIBDRO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414169002 262813109 /nfs/dbraw/zinc/81/31/09/262813109.db2.gz ASELTMLHNHMQBN-QFWMXSHPSA-N 1 0 298.333 4.069 20 5 CIBDRO C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000390565015 327880485 /nfs/dbraw/zinc/88/04/85/327880485.db2.gz NIJKKTHNLJMFHT-YPMHNXCESA-N 1 0 298.333 4.071 20 5 CIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000531693266 328024916 /nfs/dbraw/zinc/02/49/16/328024916.db2.gz GUABCYRZWLECNK-FPMFFAJLSA-N 1 0 276.380 4.133 20 5 CIBDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000563419633 328063674 /nfs/dbraw/zinc/06/36/74/328063674.db2.gz YNSCHQZWRKZOAM-IAGOWNOFSA-N 1 0 296.370 4.323 20 5 CIBDRO CCSCC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531984850 328378524 /nfs/dbraw/zinc/37/85/24/328378524.db2.gz UDNCDPUHYGSSSN-CHWSQXEVSA-N 1 0 296.436 4.086 20 5 CIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000049825314 328379044 /nfs/dbraw/zinc/37/90/44/328379044.db2.gz VGBVUJLODBUYAK-ARFHVFGLSA-N 1 0 288.391 4.043 20 5 CIBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000050442989 328439743 /nfs/dbraw/zinc/43/97/43/328439743.db2.gz RULQNGHCVCQARX-NSHDSACASA-N 1 0 290.750 4.099 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)cc1[N+](=O)[O-] ZINC000398171395 326865109 /nfs/dbraw/zinc/86/51/09/326865109.db2.gz YYKYUXPXZKVIMB-QWHCGFSZSA-N 1 0 276.380 4.133 20 5 CIBDRO CC(C)c1ccc(C[NH2+]C(C)(C)C(C)C)cc1[N+](=O)[O-] ZINC000558271791 327084540 /nfs/dbraw/zinc/08/45/40/327084540.db2.gz JZHMGQMZEOHJAM-UHFFFAOYSA-N 1 0 278.396 4.242 20 5 CIBDRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000409846059 327166113 /nfs/dbraw/zinc/16/61/13/327166113.db2.gz SVMWFJDCZTWGBG-RYUDHWBXSA-N 1 0 298.333 4.071 20 5 CIBDRO C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000409865471 327166240 /nfs/dbraw/zinc/16/62/40/327166240.db2.gz FLKGDVJHCJFNCN-VXGBXAGGSA-N 1 0 298.333 4.071 20 5 CIBDRO CCC[C@@H](CC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537970908 327240965 /nfs/dbraw/zinc/24/09/65/327240965.db2.gz QDOAHVUPTVKMJT-CHWSQXEVSA-N 1 0 264.369 4.133 20 5 CIBDRO Cc1cc(C)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000043393628 328789561 /nfs/dbraw/zinc/78/95/61/328789561.db2.gz UMDUVHJDAMHXIC-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CC(C)(C)C1CC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000582799139 329211921 /nfs/dbraw/zinc/21/19/21/329211921.db2.gz JEPJDXHTCGZDBT-SOFGYWHQSA-N 1 0 288.391 4.022 20 5 CIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000133083718 329650488 /nfs/dbraw/zinc/65/04/88/329650488.db2.gz VPTZDYGNEPNRQQ-KRWDZBQOSA-N 1 0 296.370 4.070 20 5 CIBDRO Cc1cccc(C)c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429268622 330541516 /nfs/dbraw/zinc/54/15/16/330541516.db2.gz SZDLLMNHFVFUFR-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO CCC1(C)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441541699 330770542 /nfs/dbraw/zinc/77/05/42/330770542.db2.gz KKRPKEJJAARWPI-ZDUSSCGKSA-N 1 0 276.380 4.168 20 5 CIBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000462728649 331325776 /nfs/dbraw/zinc/32/57/76/331325776.db2.gz KVHCQHIRJHNEHG-JOHMGYAOSA-N 1 0 288.391 4.166 20 5 CIBDRO CCC[C@]1(C)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000464836125 331370552 /nfs/dbraw/zinc/37/05/52/331370552.db2.gz JSAIBBNCJFVMPR-CQSZACIVSA-N 1 0 282.409 4.059 20 5 CIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000467845895 331424652 /nfs/dbraw/zinc/42/46/52/331424652.db2.gz HVIQDWMKORXVSX-BXUZGUMPSA-N 1 0 264.369 4.070 20 5 CIBDRO C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000480671234 331783310 /nfs/dbraw/zinc/78/33/10/331783310.db2.gz RJVVWVRUFKTQLI-CQSZACIVSA-N 1 0 296.370 4.021 20 5 CIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000481344352 331804543 /nfs/dbraw/zinc/80/45/43/331804543.db2.gz XDSLUMMQNXIJMI-OAHLLOKOSA-N 1 0 298.386 4.371 20 5 CIBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000483725449 331883124 /nfs/dbraw/zinc/88/31/24/331883124.db2.gz IOGPRGBVWRHXGW-LCGIIJARSA-N 1 0 288.391 4.214 20 5 CIBDRO CC[C@@H]([NH2+]C1CCC2(CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000488436087 332008154 /nfs/dbraw/zinc/00/81/54/332008154.db2.gz WWKMXTKAXVVBDK-MRXNPFEDSA-N 1 0 288.391 4.358 20 5 CIBDRO CC(C)([NH2+]C/C=C\c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000492149548 332384680 /nfs/dbraw/zinc/38/46/80/332384680.db2.gz FRHQBOYMIYPRSA-FLIBITNWSA-N 1 0 296.370 4.133 20 5 CIBDRO CCOc1ccc([C@H](C)[NH2+]CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000504899738 332724027 /nfs/dbraw/zinc/72/40/27/332724027.db2.gz LINKWGMNCALNQZ-LBPRGKRZSA-N 1 0 294.395 4.080 20 5 CIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000504912627 332724643 /nfs/dbraw/zinc/72/46/43/332724643.db2.gz YMJTXAQTYBLASU-XQQFMLRXSA-N 1 0 294.395 4.079 20 5 CIBDRO C[C@H]([NH2+]Cc1ccc2occc2c1)c1cccc([N+](=O)[O-])c1 ZINC000512097194 332953632 /nfs/dbraw/zinc/95/36/32/332953632.db2.gz CIAUIMHNTJAXFY-LBPRGKRZSA-N 1 0 296.326 4.192 20 5 CIBDRO CCC(CC)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513786865 333039291 /nfs/dbraw/zinc/03/92/91/333039291.db2.gz OPWKCLNJZNYHJU-CZUORRHYSA-N 1 0 290.407 4.084 20 5 CIBDRO CC[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000517549941 333102268 /nfs/dbraw/zinc/10/22/68/333102268.db2.gz FBAQCWBQKZYLST-INIZCTEOSA-N 1 0 298.386 4.187 20 5 CIBDRO Cc1ccc([C@@H](C)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000522268272 333277106 /nfs/dbraw/zinc/27/71/06/333277106.db2.gz JZVIDHZRMBZNIP-OAHLLOKOSA-N 1 0 298.386 4.139 20 5 CIBDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522536254 333289218 /nfs/dbraw/zinc/28/92/18/333289218.db2.gz DTKKYFLNOGZJEH-ZDUSSCGKSA-N 1 0 282.771 4.013 20 5 CIBDRO Cc1c(C[NH2+][C@@H](C)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000237339559 333378982 /nfs/dbraw/zinc/37/89/82/333378982.db2.gz OQMVILZFURNKMR-AWEZNQCLSA-N 1 0 298.386 4.014 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+]C/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000237514932 333379995 /nfs/dbraw/zinc/37/99/95/333379995.db2.gz KELCNQCISIBZNJ-PPYMECGQSA-N 1 0 296.370 4.267 20 5 CIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000538256006 333581638 /nfs/dbraw/zinc/58/16/38/333581638.db2.gz ADNKFSBRPBPPHT-UHFFFAOYSA-N 1 0 298.386 4.182 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000540158652 333715072 /nfs/dbraw/zinc/71/50/72/333715072.db2.gz SEGUSRTTYYDNBD-AAEUAGOBSA-N 1 0 298.333 4.132 20 5 CIBDRO Cc1cscc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000576174336 335165204 /nfs/dbraw/zinc/16/52/04/335165204.db2.gz BICKFENTDZVXBE-GFCCVEGCSA-N 1 0 290.388 4.124 20 5 CIBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000545873838 334003443 /nfs/dbraw/zinc/00/34/43/334003443.db2.gz IIISSLNTWCECDM-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000546228665 334020753 /nfs/dbraw/zinc/02/07/53/334020753.db2.gz PNFJHKVFSRNJMJ-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000547287268 334076078 /nfs/dbraw/zinc/07/60/78/334076078.db2.gz LMDTYIPICXZMFX-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000237153052 334082396 /nfs/dbraw/zinc/08/23/96/334082396.db2.gz FLUXUFWUKXVPJS-UHFFFAOYSA-N 1 0 298.386 4.182 20 5 CIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000077220963 334099304 /nfs/dbraw/zinc/09/93/04/334099304.db2.gz UTVBNHXVQQDMJT-UHFFFAOYSA-N 1 0 292.338 4.038 20 5 CIBDRO C[C@@H]([NH2+]Cc1coc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000550826861 334229475 /nfs/dbraw/zinc/22/94/75/334229475.db2.gz IZOGMOBIYSEXPK-GFCCVEGCSA-N 1 0 296.326 4.192 20 5 CIBDRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000550861001 334230913 /nfs/dbraw/zinc/23/09/13/334230913.db2.gz TXTNLDLFUWHBGL-XGNXJENSSA-N 1 0 276.380 4.070 20 5 CIBDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512520 334346174 /nfs/dbraw/zinc/34/61/74/334346174.db2.gz LIELTOLJOBDARN-CZUORRHYSA-N 1 0 296.370 4.241 20 5 CIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000252413669 334379143 /nfs/dbraw/zinc/37/91/43/334379143.db2.gz QUBIIHMGIUXTEC-PWNZVWSESA-N 1 0 276.380 4.070 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000565217189 334545648 /nfs/dbraw/zinc/54/56/48/334545648.db2.gz KXSUSLLTSBDQEE-GUYCJALGSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000157248770 334764882 /nfs/dbraw/zinc/76/48/82/334764882.db2.gz PECHNVLGAXCSLI-KBPBESRZSA-N 1 0 284.359 4.315 20 5 CIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000061360585 525661676 /nfs/dbraw/zinc/66/16/76/525661676.db2.gz GLOJGWMCLLCXGC-GHMZBOCLSA-N 1 0 276.361 4.068 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000037775561 525748111 /nfs/dbraw/zinc/74/81/11/525748111.db2.gz BVJTXLDVEXGHDU-VXGBXAGGSA-N 1 0 290.388 4.377 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccsc2)cc1[N+](=O)[O-] ZINC000061360960 525934140 /nfs/dbraw/zinc/93/41/40/525934140.db2.gz PEUWULRUXFGNBO-RYUDHWBXSA-N 1 0 290.388 4.377 20 5 CIBDRO CC[C@H]([NH2+][C@H]1CCC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000353348097 529670069 /nfs/dbraw/zinc/67/00/69/529670069.db2.gz WYELZJCHYWKFKT-HOTGVXAUSA-N 1 0 288.391 4.358 20 5 CIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000020124312 171006520 /nfs/dbraw/zinc/00/65/20/171006520.db2.gz QHODSLPCFKFCKE-LLVKDONJSA-N 1 0 290.750 4.099 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000020148631 171037013 /nfs/dbraw/zinc/03/70/13/171037013.db2.gz KKYZCPOBRQAWJT-NWDGAFQWSA-N 1 0 290.388 4.377 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000020525896 171238987 /nfs/dbraw/zinc/23/89/87/171238987.db2.gz WWLAAIFHZBULEY-OLZOCXBDSA-N 1 0 270.332 4.007 20 5 CIBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000034996292 171924724 /nfs/dbraw/zinc/92/47/24/171924724.db2.gz HMYJCIZEOIDIDY-INIZCTEOSA-N 1 0 284.359 4.144 20 5 CIBDRO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000035010537 171927704 /nfs/dbraw/zinc/92/77/04/171927704.db2.gz HEMPBLKWBNHNDI-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000035253024 172082629 /nfs/dbraw/zinc/08/26/29/172082629.db2.gz FWFHPALZVJILKA-LLVKDONJSA-N 1 0 290.388 4.124 20 5 CIBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000036964883 172832588 /nfs/dbraw/zinc/83/25/88/172832588.db2.gz HHBRZJKUORGRMK-UHFFFAOYSA-N 1 0 282.771 4.013 20 5 CIBDRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177066 260072981 /nfs/dbraw/zinc/07/29/81/260072981.db2.gz KTXJNYFYSZJRCS-KBPBESRZSA-N 1 0 284.359 4.315 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000037176746 260073098 /nfs/dbraw/zinc/07/30/98/260073098.db2.gz AVCJVOFKULGWEL-OLZOCXBDSA-N 1 0 270.332 4.007 20 5 CIBDRO CCc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000035009771 260003844 /nfs/dbraw/zinc/00/38/44/260003844.db2.gz CBHMDOJLWHZAEN-CYBMUJFWSA-N 1 0 284.359 4.008 20 5 CIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000163688721 261325341 /nfs/dbraw/zinc/32/53/41/261325341.db2.gz PTMUGGJTEQOGEM-CJNGLKHVSA-N 1 0 299.374 4.100 20 5 CIBDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000107320138 261377405 /nfs/dbraw/zinc/37/74/05/261377405.db2.gz CIQFPKXEBVPJPA-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122213797 262345642 /nfs/dbraw/zinc/34/56/42/262345642.db2.gz AFVHJKATGMCEGH-ACJLOTCBSA-N 1 0 296.370 4.397 20 5 CIBDRO CCC[C@H]([NH2+][C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000088747794 262663461 /nfs/dbraw/zinc/66/34/61/262663461.db2.gz ZISLQLJSVIRWEC-ZBFHGGJFSA-N 1 0 274.364 4.134 20 5 CIBDRO Cc1ccnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000285990299 263096778 /nfs/dbraw/zinc/09/67/78/263096778.db2.gz GZPLFTURWSSXMQ-KBPBESRZSA-N 1 0 299.374 4.018 20 5 CIBDRO C[C@@H]([NH2+]CC(C)(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000314565717 327797323 /nfs/dbraw/zinc/79/73/23/327797323.db2.gz NAHYGCBQDRAPNF-CQSZACIVSA-N 1 0 298.386 4.223 20 5 CIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1csc2ccccc12 ZINC000048068928 328040835 /nfs/dbraw/zinc/04/08/35/328040835.db2.gz CKLVQZNBHKOJSZ-UHFFFAOYSA-N 1 0 298.367 4.099 20 5 CIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000303900959 328365893 /nfs/dbraw/zinc/36/58/93/328365893.db2.gz LKELXPUQDLWEBQ-KRWDZBQOSA-N 1 0 298.386 4.048 20 5 CIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000049529326 328367661 /nfs/dbraw/zinc/36/76/61/328367661.db2.gz KRXPSCVMDSZQCI-FZMZJTMJSA-N 1 0 290.388 4.458 20 5 CIBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000049529328 328367752 /nfs/dbraw/zinc/36/77/52/328367752.db2.gz KRXPSCVMDSZQCI-RISCZKNCSA-N 1 0 290.388 4.458 20 5 CIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000303953680 328369888 /nfs/dbraw/zinc/36/98/88/328369888.db2.gz WLSXLZZHCZDOJW-AWEZNQCLSA-N 1 0 288.391 4.312 20 5 CIBDRO Cc1c([C@H](C)[NH2+]C2CCC3(CC3)CC2)cccc1[N+](=O)[O-] ZINC000447590371 326835967 /nfs/dbraw/zinc/83/59/67/326835967.db2.gz CELZHOLCXPASPN-ZDUSSCGKSA-N 1 0 288.391 4.277 20 5 CIBDRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177041 328602940 /nfs/dbraw/zinc/60/29/40/328602940.db2.gz FEJOTXFDJJRWAS-CHWSQXEVSA-N 1 0 264.369 4.070 20 5 CIBDRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177040 328602949 /nfs/dbraw/zinc/60/29/49/328602949.db2.gz FEJOTXFDJJRWAS-STQMWFEESA-N 1 0 264.369 4.070 20 5 CIBDRO CCSCC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152822817 327381540 /nfs/dbraw/zinc/38/15/40/327381540.db2.gz UEDKFDQAJUPRKE-YPMHNXCESA-N 1 0 296.436 4.086 20 5 CIBDRO Cc1cccc(C)c1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000160304659 327605588 /nfs/dbraw/zinc/60/55/88/327605588.db2.gz QPLHQEFRWGKPJR-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000051634442 328626354 /nfs/dbraw/zinc/62/63/54/328626354.db2.gz BZRBFGZLAHDXGX-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO C[C@@H](CCc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000532899543 329170672 /nfs/dbraw/zinc/17/06/72/329170672.db2.gz JCXBONQYJXEKEL-HNNXBMFYSA-N 1 0 298.386 4.048 20 5 CIBDRO CC(C)([NH2+]CCCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429261400 329183237 /nfs/dbraw/zinc/18/32/37/329183237.db2.gz PSKZMRSWFGICKP-UHFFFAOYSA-N 1 0 298.386 4.052 20 5 CIBDRO CCSCC[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000132251015 329645358 /nfs/dbraw/zinc/64/53/58/329645358.db2.gz VSMLBMAOKRGOHI-QWHCGFSZSA-N 1 0 296.436 4.086 20 5 CIBDRO CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000036823797 330283899 /nfs/dbraw/zinc/28/38/99/330283899.db2.gz YAKLQPNLSQRMMQ-UHFFFAOYSA-N 1 0 294.738 4.008 20 5 CIBDRO CCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000058181165 330385736 /nfs/dbraw/zinc/38/57/36/330385736.db2.gz RGYCKPAUTPLKBZ-QGZVFWFLSA-N 1 0 284.359 4.226 20 5 CIBDRO Cc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000120421525 330388578 /nfs/dbraw/zinc/38/85/78/330388578.db2.gz TXDAIDIDPLXLRM-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO CC(C)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441439654 330768705 /nfs/dbraw/zinc/76/87/05/330768705.db2.gz UMQLKELNCYPBIQ-CYBMUJFWSA-N 1 0 276.380 4.024 20 5 CIBDRO C=Cc1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000461074740 331311089 /nfs/dbraw/zinc/31/10/89/331311089.db2.gz KHXWQSGYMFGULQ-AWEZNQCLSA-N 1 0 296.370 4.131 20 5 CIBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000463924423 331354079 /nfs/dbraw/zinc/35/40/79/331354079.db2.gz GRFMBCSZYUHFAQ-RISCZKNCSA-N 1 0 264.369 4.070 20 5 CIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1C ZINC000468647225 331438246 /nfs/dbraw/zinc/43/82/46/331438246.db2.gz CXWFWMPHOORJQM-GXDHUFHOSA-N 1 0 296.370 4.096 20 5 CIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCC1CC1 ZINC000469808048 331461647 /nfs/dbraw/zinc/46/16/47/331461647.db2.gz PDTFPMBVGPOPNG-ZIAGYGMSSA-N 1 0 290.407 4.084 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC23CCCC3)cc1[N+](=O)[O-] ZINC000474070265 331567563 /nfs/dbraw/zinc/56/75/63/331567563.db2.gz ZDNBDGWRFDLDPW-CZUORRHYSA-N 1 0 288.391 4.277 20 5 CIBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000482196612 331826732 /nfs/dbraw/zinc/82/67/32/331826732.db2.gz DCIAWEGHOLQSOR-CABCVRRESA-N 1 0 298.386 4.124 20 5 CIBDRO CC[C@H](C)C[N@H+](CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000489299493 332045809 /nfs/dbraw/zinc/04/58/09/332045809.db2.gz YBZQKBPJXYUONB-QWHCGFSZSA-N 1 0 264.369 4.024 20 5 CIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2CCC2)c2ccccc2)c1 ZINC000490185387 332083971 /nfs/dbraw/zinc/08/39/71/332083971.db2.gz WBJLVHCWBSRLGF-SFHVURJKSA-N 1 0 296.370 4.074 20 5 CIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000513247784 333010851 /nfs/dbraw/zinc/01/08/51/333010851.db2.gz WKTDZUDMXYVVIX-DLBZAZTESA-N 1 0 296.370 4.021 20 5 CIBDRO CC[N@H+](Cc1cccs1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183650344 333121450 /nfs/dbraw/zinc/12/14/50/333121450.db2.gz XPGCOTLMRDVNRK-LBPRGKRZSA-N 1 0 290.388 4.239 20 5 CIBDRO CCC[C@H]([NH2+]CC1(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000222356326 333191803 /nfs/dbraw/zinc/19/18/03/333191803.db2.gz HWXDPDGQXGBCGY-INIZCTEOSA-N 1 0 288.391 4.216 20 5 CIBDRO CC(C)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000522269004 333277109 /nfs/dbraw/zinc/27/71/09/333277109.db2.gz JYTCQKSHUAQKAI-UHFFFAOYSA-N 1 0 290.407 4.038 20 5 CIBDRO CC(C)(CCc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000236591921 333373773 /nfs/dbraw/zinc/37/37/73/333373773.db2.gz BOADEUVWCMYSGP-UHFFFAOYSA-N 1 0 298.386 4.096 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000237443815 333379537 /nfs/dbraw/zinc/37/95/37/333379537.db2.gz GGMWVDYAIGMPJZ-LSDHHAIUSA-N 1 0 298.386 4.358 20 5 CIBDRO Cc1c(C[NH2+][C@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000315779922 333383619 /nfs/dbraw/zinc/38/36/19/333383619.db2.gz VRRDVMSXSYEFMN-KRWDZBQOSA-N 1 0 296.370 4.070 20 5 CIBDRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000393572680 333413506 /nfs/dbraw/zinc/41/35/06/333413506.db2.gz LSROEAMTRVXOFQ-IGEOTXOUSA-N 1 0 296.370 4.192 20 5 CIBDRO CCC[C@@H]([NH2+][C@@H](C)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000070101841 333799209 /nfs/dbraw/zinc/79/92/09/333799209.db2.gz QZTPRDZTLKGTEV-BLLLJJGKSA-N 1 0 276.380 4.214 20 5 CIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](C1CC1)C1CCCC1 ZINC000548623903 334164175 /nfs/dbraw/zinc/16/41/75/334164175.db2.gz FBAPHLKABXTGKN-UHFFFAOYSA-N 1 0 294.782 4.155 20 5 CIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000551063596 334237778 /nfs/dbraw/zinc/23/77/78/334237778.db2.gz WDVBJYFRDIXKLR-ZDUSSCGKSA-N 1 0 296.370 4.323 20 5 CIBDRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000551242641 334242872 /nfs/dbraw/zinc/24/28/72/334242872.db2.gz VIHCLGPJDCCCBE-HIFPTAJRSA-N 1 0 276.380 4.070 20 5 CIBDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC000089512722 334346167 /nfs/dbraw/zinc/34/61/67/334346167.db2.gz XEHPVOXZOGZIQS-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO CC1=CC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000556261756 334504764 /nfs/dbraw/zinc/50/47/64/334504764.db2.gz NPVIZFAEUVWFIM-MRXNPFEDSA-N 1 0 288.391 4.006 20 5 CIBDRO Cc1cccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000183727505 335903996 /nfs/dbraw/zinc/90/39/96/335903996.db2.gz FNAMYEPLSVNDBC-OAHLLOKOSA-N 1 0 298.386 4.371 20 5 CIBDRO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000386750368 336177898 /nfs/dbraw/zinc/17/78/98/336177898.db2.gz BRWYADWFHSYRBO-HUUCEWRRSA-N 1 0 298.386 4.185 20 5 CIBDRO CC1CCC([N@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000339932895 520937309 /nfs/dbraw/zinc/93/73/09/520937309.db2.gz ZJFQTCDBFBAQAA-UHFFFAOYSA-N 1 0 294.420 4.199 20 5 CIBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000037775666 525475437 /nfs/dbraw/zinc/47/54/37/525475437.db2.gz HAUFIKJFGJAHOC-VXGBXAGGSA-N 1 0 288.347 4.216 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccsc2)cc1[N+](=O)[O-] ZINC000061360959 525741259 /nfs/dbraw/zinc/74/12/59/525741259.db2.gz PEUWULRUXFGNBO-NEPJUHHUSA-N 1 0 290.388 4.377 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000049159552 525741344 /nfs/dbraw/zinc/74/13/44/525741344.db2.gz WPZGEZSUPVYNNC-NWDGAFQWSA-N 1 0 290.388 4.377 20 5 CIBDRO C[C@H]([NH2+]CCC1=CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000019979458 170958344 /nfs/dbraw/zinc/95/83/44/170958344.db2.gz FTQCWCMKCFKPAE-ZDUSSCGKSA-N 1 0 274.364 4.136 20 5 CIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000020124122 171005589 /nfs/dbraw/zinc/00/55/89/171005589.db2.gz NAZVPJRZSXRGLL-LLVKDONJSA-N 1 0 290.750 4.099 20 5 CIBDRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020126362 171010117 /nfs/dbraw/zinc/01/01/17/171010117.db2.gz DVXKROWMCAONRT-ZIAGYGMSSA-N 1 0 284.359 4.315 20 5 CIBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000020209954 171074207 /nfs/dbraw/zinc/07/42/07/171074207.db2.gz ORBAGYDEIQSAFY-LLVKDONJSA-N 1 0 290.750 4.099 20 5 CIBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000021501818 171305720 /nfs/dbraw/zinc/30/57/20/171305720.db2.gz VMPDEWZHBVMLGH-ZIAGYGMSSA-N 1 0 284.359 4.049 20 5 CIBDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034996091 171925143 /nfs/dbraw/zinc/92/51/43/171925143.db2.gz JVTCUSFFWHPHEG-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000192930813 227391091 /nfs/dbraw/zinc/39/10/91/227391091.db2.gz LWSAKADZNKHSPU-DYVFJYSZSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177068 260072633 /nfs/dbraw/zinc/07/26/33/260072633.db2.gz KTXJNYFYSZJRCS-KGLIPLIRSA-N 1 0 284.359 4.315 20 5 CIBDRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177067 260072693 /nfs/dbraw/zinc/07/26/93/260072693.db2.gz KTXJNYFYSZJRCS-ZIAGYGMSSA-N 1 0 284.359 4.315 20 5 CIBDRO CC[C@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000090918483 260263914 /nfs/dbraw/zinc/26/39/14/260263914.db2.gz YGWYVXMIQNWJKE-ZWKOTPCHSA-N 1 0 296.370 4.323 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000163710553 261326458 /nfs/dbraw/zinc/32/64/58/261326458.db2.gz RHWFXNQMIZJQNA-XJKSGUPXSA-N 1 0 299.374 4.100 20 5 CIBDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000107320144 261377357 /nfs/dbraw/zinc/37/73/57/261377357.db2.gz NYIJOUAUCVFMGB-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CC[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000390515868 262202770 /nfs/dbraw/zinc/20/27/70/262202770.db2.gz ALFBQVSAQSQLPP-TZMCWYRMSA-N 1 0 298.333 4.071 20 5 CIBDRO Cc1ccnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000285990308 263096920 /nfs/dbraw/zinc/09/69/20/263096920.db2.gz GZPLFTURWSSXMQ-ZIAGYGMSSA-N 1 0 299.374 4.018 20 5 CIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000525869074 264763558 /nfs/dbraw/zinc/76/35/58/264763558.db2.gz NURZTBDAHSHXGA-WBVHZDCISA-N 1 0 296.370 4.021 20 5 CIBDRO CC(C)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000387955881 327821389 /nfs/dbraw/zinc/82/13/89/327821389.db2.gz XMJLBKUMRCCDFB-UHFFFAOYSA-N 1 0 298.386 4.083 20 5 CIBDRO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000390565014 327880528 /nfs/dbraw/zinc/88/05/28/327880528.db2.gz NIJKKTHNLJMFHT-WCQYABFASA-N 1 0 298.333 4.071 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCc1ccccc1 ZINC000531677588 328023364 /nfs/dbraw/zinc/02/33/64/328023364.db2.gz YQQSRTQARPJHIL-OAHLLOKOSA-N 1 0 298.386 4.187 20 5 CIBDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000563419634 328063687 /nfs/dbraw/zinc/06/36/87/328063687.db2.gz YNSCHQZWRKZOAM-SJORKVTESA-N 1 0 296.370 4.323 20 5 CIBDRO C[NH+](C)CCSCc1nc2ccccc2c2ccccc12 ZINC000534518581 328305007 /nfs/dbraw/zinc/30/50/07/328305007.db2.gz BGJSCTPWJIMESL-UHFFFAOYSA-N 1 0 296.439 4.183 20 5 CIBDRO CCCCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000302999725 328320407 /nfs/dbraw/zinc/32/04/07/328320407.db2.gz ULPMQGKAXHNWBD-UHFFFAOYSA-N 1 0 278.396 4.038 20 5 CIBDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000049525960 328367695 /nfs/dbraw/zinc/36/76/95/328367695.db2.gz BIHYECQUERYWPX-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO CCCC[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000050887202 328450636 /nfs/dbraw/zinc/45/06/36/328450636.db2.gz AEXIRVCQTKNCSH-QWHCGFSZSA-N 1 0 264.369 4.133 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000070305718 328591559 /nfs/dbraw/zinc/59/15/59/328591559.db2.gz IGATVRDUVWZTHP-STQMWFEESA-N 1 0 276.380 4.133 20 5 CIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000037775498 326861366 /nfs/dbraw/zinc/86/13/66/326861366.db2.gz ZZQUPAFKABLJCC-DYVFJYSZSA-N 1 0 284.359 4.397 20 5 CIBDRO CCCCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000569359155 327163418 /nfs/dbraw/zinc/16/34/18/327163418.db2.gz DKGSTXRCQABNJE-UHFFFAOYSA-N 1 0 294.395 4.004 20 5 CIBDRO CCC[C@@H](CC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537970910 327240957 /nfs/dbraw/zinc/24/09/57/327240957.db2.gz QDOAHVUPTVKMJT-QWHCGFSZSA-N 1 0 264.369 4.133 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000532551086 328790433 /nfs/dbraw/zinc/79/04/33/328790433.db2.gz VACQUOACMDFGCX-KFWWJZLASA-N 1 0 298.386 4.438 20 5 CIBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536831091 330228906 /nfs/dbraw/zinc/22/89/06/330228906.db2.gz FSXSEBSRTROVPA-FZKQIMNGSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536831083 330229011 /nfs/dbraw/zinc/22/90/11/330229011.db2.gz FSXSEBSRTROVPA-ACJLOTCBSA-N 1 0 296.370 4.241 20 5 CIBDRO CC(C)(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000315523898 330476992 /nfs/dbraw/zinc/47/69/92/330476992.db2.gz UXJFZMPPDUHMAX-KRWDZBQOSA-N 1 0 298.386 4.472 20 5 CIBDRO O=[N+]([O-])c1ccc(C[NH+](C2CCC2)C2CCC2)c(Cl)c1 ZINC000429141615 330539034 /nfs/dbraw/zinc/53/90/34/330539034.db2.gz KWDIUNUNJYFOFP-UHFFFAOYSA-N 1 0 294.782 4.155 20 5 CIBDRO CC[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453050762 331084739 /nfs/dbraw/zinc/08/47/39/331084739.db2.gz AHWHCVHXXLOPAI-GUYCJALGSA-N 1 0 284.359 4.072 20 5 CIBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000459464083 331282845 /nfs/dbraw/zinc/28/28/45/331282845.db2.gz MEIHSQVBZWXZPK-QRTARXTBSA-N 1 0 296.370 4.049 20 5 CIBDRO C[C@@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000462758475 331327725 /nfs/dbraw/zinc/32/77/25/331327725.db2.gz ALTUDXZXCYEGCG-GDBMZVCRSA-N 1 0 290.407 4.086 20 5 CIBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000467855144 331424747 /nfs/dbraw/zinc/42/47/47/331424747.db2.gz UJPVMKWUNFGDED-SJXGUFTOSA-N 1 0 288.391 4.214 20 5 CIBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000467855143 331424759 /nfs/dbraw/zinc/42/47/59/331424759.db2.gz UJPVMKWUNFGDED-LQKXBSAESA-N 1 0 288.391 4.214 20 5 CIBDRO CC(C)=CCC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478504037 331707436 /nfs/dbraw/zinc/70/74/36/331707436.db2.gz VBLYUMKZYRBHKD-ZDUSSCGKSA-N 1 0 276.380 4.128 20 5 CIBDRO CC[C@@H](C)C[N@H+](CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000489299490 332045988 /nfs/dbraw/zinc/04/59/88/332045988.db2.gz YBZQKBPJXYUONB-CHWSQXEVSA-N 1 0 264.369 4.024 20 5 CIBDRO CC(C)(C)C(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000552294615 334314385 /nfs/dbraw/zinc/31/43/85/334314385.db2.gz XDJGDSBCYBWIJR-NTMALXAHSA-N 1 0 276.380 4.022 20 5 CIBDRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000503857969 332697031 /nfs/dbraw/zinc/69/70/31/332697031.db2.gz QCZLWYQHNYCMKQ-NSHDSACASA-N 1 0 298.333 4.071 20 5 CIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000513057577 333001985 /nfs/dbraw/zinc/00/19/85/333001985.db2.gz NPTKMVIIFGWXIU-ZWKOTPCHSA-N 1 0 296.370 4.021 20 5 CIBDRO CC[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000195732359 333262591 /nfs/dbraw/zinc/26/25/91/333262591.db2.gz SPYCFRFQMIXWGA-MRXNPFEDSA-N 1 0 284.359 4.178 20 5 CIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000250063559 333302086 /nfs/dbraw/zinc/30/20/86/333302086.db2.gz VGBVUJLODBUYAK-HRCADAONSA-N 1 0 288.391 4.043 20 5 CIBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000523554478 333332887 /nfs/dbraw/zinc/33/28/87/333332887.db2.gz SNMQFKKSRTYPKY-OAHLLOKOSA-N 1 0 276.380 4.058 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000237607830 333380481 /nfs/dbraw/zinc/38/04/81/333380481.db2.gz GGMWVDYAIGMPJZ-HUUCEWRRSA-N 1 0 298.386 4.358 20 5 CIBDRO Cc1cccc(C(C)(C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000237618411 333380514 /nfs/dbraw/zinc/38/05/14/333380514.db2.gz IAFLQKGRZVYFBY-UHFFFAOYSA-N 1 0 298.386 4.237 20 5 CIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000036992027 333452357 /nfs/dbraw/zinc/45/23/57/333452357.db2.gz NUJLRKAPPMVKGO-VIFPVBQESA-N 1 0 296.779 4.161 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000540158657 333715322 /nfs/dbraw/zinc/71/53/22/333715322.db2.gz SEGUSRTTYYDNBD-YPMHNXCESA-N 1 0 298.333 4.132 20 5 CIBDRO CS[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000543426609 333873499 /nfs/dbraw/zinc/87/34/99/333873499.db2.gz WMWNAZDCBHDKSI-FZMZJTMJSA-N 1 0 296.436 4.023 20 5 CIBDRO CCc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000231664972 333888329 /nfs/dbraw/zinc/88/83/29/333888329.db2.gz PVZDTWUMNYADGA-LLVKDONJSA-N 1 0 290.388 4.070 20 5 CIBDRO CC(C)([NH2+]C/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000236691987 334065156 /nfs/dbraw/zinc/06/51/56/334065156.db2.gz NLOWHXZSXSBZCS-RMKNXTFCSA-N 1 0 296.370 4.133 20 5 CIBDRO C[C@H]([NH2+]Cc1coc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000550826862 334229497 /nfs/dbraw/zinc/22/94/97/334229497.db2.gz IZOGMOBIYSEXPK-LBPRGKRZSA-N 1 0 296.326 4.192 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000551307302 334246025 /nfs/dbraw/zinc/24/60/25/334246025.db2.gz CUZMHTVZWGESNO-DZGCQCFKSA-N 1 0 274.364 4.053 20 5 CIBDRO C[C@@H]1CC[C@@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552074478 334286336 /nfs/dbraw/zinc/28/63/36/334286336.db2.gz PRHRYXLJFVACRI-BVGQSLNGSA-N 1 0 296.370 4.072 20 5 CIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC1=CCCCC1 ZINC000555197554 334470847 /nfs/dbraw/zinc/47/08/47/334470847.db2.gz GOVYKNNZHWLHMB-POHAHGRESA-N 1 0 286.375 4.088 20 5 CIBDRO Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000154527664 334696787 /nfs/dbraw/zinc/69/67/87/334696787.db2.gz AJVDYHOREMEFMG-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000154527904 334696804 /nfs/dbraw/zinc/69/68/04/334696804.db2.gz LUJXURAQPYHETR-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO C[C@H]([NH2+]CCCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000313275134 334763379 /nfs/dbraw/zinc/76/33/79/334763379.db2.gz VUEKKFHVNQGGMU-LBPRGKRZSA-N 1 0 264.369 4.072 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000051626149 522915174 /nfs/dbraw/zinc/91/51/74/522915174.db2.gz KPJQCUDFPKIJDB-XJKSGUPXSA-N 1 0 284.359 4.397 20 5 CIBDRO Cc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192629462 534716881 /nfs/dbraw/zinc/71/68/81/534716881.db2.gz BSQSKSBYHAGFBG-SFHVURJKSA-N 1 0 296.370 4.070 20 5 CIBDRO CCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000051718520 523944068 /nfs/dbraw/zinc/94/40/68/523944068.db2.gz TWEONYVBFDIQCW-NSHDSACASA-N 1 0 290.388 4.070 20 5 CIBDRO Cc1ccsc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000094195531 525863015 /nfs/dbraw/zinc/86/30/15/525863015.db2.gz JQGROAVORJBMFT-GFCCVEGCSA-N 1 0 290.388 4.124 20 5 CIBDRO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070091652 525870774 /nfs/dbraw/zinc/87/07/74/525870774.db2.gz JOGKSKBEJUOVOZ-VXGBXAGGSA-N 1 0 290.388 4.377 20 5 CIBDRO CSCCCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186780914 262323552 /nfs/dbraw/zinc/32/35/52/262323552.db2.gz LKMLRCKJWVLMQF-CYBMUJFWSA-N 1 0 296.436 4.087 20 5 CIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000020124315 171006073 /nfs/dbraw/zinc/00/60/73/171006073.db2.gz YQEIWRNGMHGNOU-NSHDSACASA-N 1 0 290.750 4.099 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000020148628 171036681 /nfs/dbraw/zinc/03/66/81/171036681.db2.gz KKYZCPOBRQAWJT-NEPJUHHUSA-N 1 0 290.388 4.377 20 5 CIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000020148646 171037185 /nfs/dbraw/zinc/03/71/85/171037185.db2.gz DDWGVFPUMZXURO-GHMZBOCLSA-N 1 0 276.361 4.068 20 5 CIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000020525898 171238898 /nfs/dbraw/zinc/23/88/98/171238898.db2.gz WWLAAIFHZBULEY-CHWSQXEVSA-N 1 0 270.332 4.007 20 5 CIBDRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526176 171239033 /nfs/dbraw/zinc/23/90/33/171239033.db2.gz PQUFIAQNGGSYKN-ZIAGYGMSSA-N 1 0 284.359 4.315 20 5 CIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000020526242 171239333 /nfs/dbraw/zinc/23/93/33/171239333.db2.gz LZEIAOQFMOYLTO-GHMZBOCLSA-N 1 0 276.361 4.068 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000020526241 171239533 /nfs/dbraw/zinc/23/95/33/171239533.db2.gz LZEIAOQFMOYLTO-QWRGUYRKSA-N 1 0 276.361 4.068 20 5 CIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000035015862 171932857 /nfs/dbraw/zinc/93/28/57/171932857.db2.gz RDZSMXYWDRWDOZ-KRWDZBQOSA-N 1 0 284.359 4.082 20 5 CIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192595478 228164099 /nfs/dbraw/zinc/16/40/99/228164099.db2.gz QIFXNKXLTUUMAA-SCLBCKFNSA-N 1 0 296.370 4.323 20 5 CIBDRO Cc1cccc([C@@H](C)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000525462375 260154898 /nfs/dbraw/zinc/15/48/98/260154898.db2.gz LQGZZWVCXVKESX-HNNXBMFYSA-N 1 0 298.386 4.105 20 5 CIBDRO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000521190185 260378113 /nfs/dbraw/zinc/37/81/13/260378113.db2.gz OQMUPOPKKMFXDS-XBFCOCLRSA-N 1 0 294.420 4.057 20 5 CIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000163688494 261325439 /nfs/dbraw/zinc/32/54/39/261325439.db2.gz PTMUGGJTEQOGEM-BBRMVZONSA-N 1 0 299.374 4.100 20 5 CIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000163710442 261325994 /nfs/dbraw/zinc/32/59/94/261325994.db2.gz RHWFXNQMIZJQNA-BBRMVZONSA-N 1 0 299.374 4.100 20 5 CIBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000497359968 262146724 /nfs/dbraw/zinc/14/67/24/262146724.db2.gz BUIRYIDDHUWFDH-SFHVURJKSA-N 1 0 298.386 4.424 20 5 CIBDRO C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000053148021 327711307 /nfs/dbraw/zinc/71/13/07/327711307.db2.gz VKPXGYCPYUIRRY-LLVKDONJSA-N 1 0 290.750 4.099 20 5 CIBDRO C[C@@H]([NH2+]C(C1CCC1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000313835744 327771432 /nfs/dbraw/zinc/77/14/32/327771432.db2.gz JAWAVZGMOKVEJZ-GFCCVEGCSA-N 1 0 288.391 4.214 20 5 CIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000531693269 328024935 /nfs/dbraw/zinc/02/49/35/328024935.db2.gz GUABCYRZWLECNK-XBFCOCLRSA-N 1 0 276.380 4.133 20 5 CIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000160923876 328095131 /nfs/dbraw/zinc/09/51/31/328095131.db2.gz NUFXIVDJCHODHT-LBPRGKRZSA-N 1 0 290.388 4.124 20 5 CIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccs1 ZINC000049530542 328367952 /nfs/dbraw/zinc/36/79/52/328367952.db2.gz LPBHDFPAGHHNAH-CYBMUJFWSA-N 1 0 290.388 4.206 20 5 CIBDRO CCCC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000049543445 328370669 /nfs/dbraw/zinc/37/06/69/328370669.db2.gz IJFXLNASHSQGFT-UHFFFAOYSA-N 1 0 276.380 4.043 20 5 CIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000049963041 328379793 /nfs/dbraw/zinc/37/97/93/328379793.db2.gz SMPGMZOLXTWJCF-NSHDSACASA-N 1 0 290.750 4.099 20 5 CIBDRO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000050887199 328450591 /nfs/dbraw/zinc/45/05/91/328450591.db2.gz AEXIRVCQTKNCSH-OLZOCXBDSA-N 1 0 264.369 4.133 20 5 CIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000037775703 326861515 /nfs/dbraw/zinc/86/15/15/326861515.db2.gz AHVBHOTYWVBBAX-BXUZGUMPSA-N 1 0 290.388 4.458 20 5 CIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000037775497 326861549 /nfs/dbraw/zinc/86/15/49/326861549.db2.gz ZZQUPAFKABLJCC-SUMWQHHRSA-N 1 0 284.359 4.397 20 5 CIBDRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177039 328602818 /nfs/dbraw/zinc/60/28/18/328602818.db2.gz FEJOTXFDJJRWAS-OLZOCXBDSA-N 1 0 264.369 4.070 20 5 CIBDRO CC1CCC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000558652277 327112174 /nfs/dbraw/zinc/11/21/74/327112174.db2.gz CMUFDDASGGWRMI-UHFFFAOYSA-N 1 0 290.407 4.086 20 5 CIBDRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000409859885 327166115 /nfs/dbraw/zinc/16/61/15/327166115.db2.gz NWKZGSAMSMQPTE-NSHDSACASA-N 1 0 298.333 4.071 20 5 CIBDRO C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000331341858 327424177 /nfs/dbraw/zinc/42/41/77/327424177.db2.gz YCFNAVATKPOZLB-VXGBXAGGSA-N 1 0 298.333 4.071 20 5 CIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000051626763 328626072 /nfs/dbraw/zinc/62/60/72/328626072.db2.gz FMSFJYVBLXJXNH-GUYCJALGSA-N 1 0 284.359 4.397 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000389308341 328726613 /nfs/dbraw/zinc/72/66/13/328726613.db2.gz AURIXEYSAJSKOT-HNNXBMFYSA-N 1 0 298.386 4.371 20 5 CIBDRO CC[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000358322224 328882185 /nfs/dbraw/zinc/88/21/85/328882185.db2.gz SPTKBMDOUKKZQO-GXTWGEPZSA-N 1 0 298.333 4.213 20 5 CIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000536804783 329547817 /nfs/dbraw/zinc/54/78/17/329547817.db2.gz DKHVWLKMWTYEEE-QGZVFWFLSA-N 1 0 296.370 4.226 20 5 CIBDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536870122 330265133 /nfs/dbraw/zinc/26/51/33/330265133.db2.gz MUDBQEZBTDCINU-UGSOOPFHSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000315544492 330477209 /nfs/dbraw/zinc/47/72/09/330477209.db2.gz HYXNLRQJVYMGID-OAHLLOKOSA-N 1 0 298.386 4.371 20 5 CIBDRO C[C@H]([NH2+][C@@H]1C[C@H](C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453222221 331103302 /nfs/dbraw/zinc/10/33/02/331103302.db2.gz KYGTZLZAZBVNBD-ZJNRKIDTSA-N 1 0 296.370 4.494 20 5 CIBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000462728651 331325692 /nfs/dbraw/zinc/32/56/92/331325692.db2.gz KVHCQHIRJHNEHG-SMJHDNPOSA-N 1 0 288.391 4.166 20 5 CIBDRO C[C@@H](Nc1cc2c(c[nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000462959940 331335987 /nfs/dbraw/zinc/33/59/87/331335987.db2.gz XHYOFQOPUUQNOZ-GFCCVEGCSA-N 1 0 297.358 4.042 20 5 CIBDRO CC[C@@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464781571 331367901 /nfs/dbraw/zinc/36/79/01/331367901.db2.gz SVYSJGRGCOLZIO-CJNGLKHVSA-N 1 0 276.380 4.168 20 5 CIBDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478504035 331707476 /nfs/dbraw/zinc/70/74/76/331707476.db2.gz VBLYUMKZYRBHKD-CYBMUJFWSA-N 1 0 276.380 4.128 20 5 CIBDRO CCOc1ccc([C@H](C)[NH2+]CCC=C(C)C)cc1[N+](=O)[O-] ZINC000479289753 331723786 /nfs/dbraw/zinc/72/37/86/331723786.db2.gz VYPUBYBCPACCPU-ZDUSSCGKSA-N 1 0 292.379 4.000 20 5 CIBDRO CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000482256658 331829296 /nfs/dbraw/zinc/82/92/96/331829296.db2.gz NFYSSWKQOJHWTJ-WMLDXEAASA-N 1 0 298.386 4.267 20 5 CIBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000488694297 332022044 /nfs/dbraw/zinc/02/20/44/332022044.db2.gz IALSRPHNALVJGQ-INIZCTEOSA-N 1 0 290.407 4.038 20 5 CIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCC2CC2)c2ccccc2)c1 ZINC000494028109 332461452 /nfs/dbraw/zinc/46/14/52/332461452.db2.gz JSVSVIGFNXTROG-GOSISDBHSA-N 1 0 296.370 4.074 20 5 CIBDRO C/C(=C\c1ccccc1)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000501385279 332631513 /nfs/dbraw/zinc/63/15/13/332631513.db2.gz CSHRJSVHHJZCII-GOFCXVBSSA-N 1 0 296.370 4.349 20 5 CIBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000517551792 333102401 /nfs/dbraw/zinc/10/24/01/333102401.db2.gz VYJCEQHOGNRXSE-ZBFHGGJFSA-N 1 0 276.380 4.043 20 5 CIBDRO Cc1ccc([C@H](C)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000522268271 333277201 /nfs/dbraw/zinc/27/72/01/333277201.db2.gz JZVIDHZRMBZNIP-HNNXBMFYSA-N 1 0 298.386 4.139 20 5 CIBDRO C[C@H]([NH2+]C1(c2ccccc2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000173365945 335132722 /nfs/dbraw/zinc/13/27/22/335132722.db2.gz MFQVUUKEGRMBBB-AWEZNQCLSA-N 1 0 296.370 4.325 20 5 CIBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000523842136 333347687 /nfs/dbraw/zinc/34/76/87/333347687.db2.gz IODLLZXBRYBVBG-FZMZJTMJSA-N 1 0 296.798 4.259 20 5 CIBDRO Cc1cccc(CC[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000237322037 333378963 /nfs/dbraw/zinc/37/89/63/333378963.db2.gz UGPRGIPGVHRYDR-HNNXBMFYSA-N 1 0 298.386 4.014 20 5 CIBDRO Cc1c(C[NH2+]CC[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000237464727 333379414 /nfs/dbraw/zinc/37/94/14/333379414.db2.gz NVFPDYLTWMTSQA-CQSZACIVSA-N 1 0 298.386 4.187 20 5 CIBDRO Cc1c(C[NH2+]CC[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000237566891 333380205 /nfs/dbraw/zinc/38/02/05/333380205.db2.gz NVFPDYLTWMTSQA-AWEZNQCLSA-N 1 0 298.386 4.187 20 5 CIBDRO C[C@H]([NH2+]Cc1cccc(C2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000316438878 333393843 /nfs/dbraw/zinc/39/38/43/333393843.db2.gz MNAAJOWAZLAQMX-ZDUSSCGKSA-N 1 0 296.370 4.323 20 5 CIBDRO C[C@H]([NH2+]CCC(C)(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000328557176 333535147 /nfs/dbraw/zinc/53/51/47/333535147.db2.gz BGLUPJTXESCYCA-LBPRGKRZSA-N 1 0 276.380 4.072 20 5 CIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000037775700 333539242 /nfs/dbraw/zinc/53/92/42/333539242.db2.gz AHVBHOTYWVBBAX-FZMZJTMJSA-N 1 0 290.388 4.458 20 5 CIBDRO CC(C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000538386401 333587588 /nfs/dbraw/zinc/58/75/88/333587588.db2.gz GKERUERCJAAITK-NTMALXAHSA-N 1 0 296.370 4.133 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000540917183 333753416 /nfs/dbraw/zinc/75/34/16/333753416.db2.gz WDBMOWRUGDCKKL-AJHXJQRKSA-N 1 0 296.370 4.267 20 5 CIBDRO CS[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000542500738 333828813 /nfs/dbraw/zinc/82/88/13/333828813.db2.gz XIANTNVORXIWBC-BXUZGUMPSA-N 1 0 296.436 4.023 20 5 CIBDRO CS[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000542500749 333828815 /nfs/dbraw/zinc/82/88/15/333828815.db2.gz XIANTNVORXIWBC-SMDDNHRTSA-N 1 0 296.436 4.023 20 5 CIBDRO CCC[C@H]([NH2+]CCCCSC)c1cccc([N+](=O)[O-])c1 ZINC000131505387 333944787 /nfs/dbraw/zinc/94/47/87/333944787.db2.gz JIMCTOKFWDFRSU-HNNXBMFYSA-N 1 0 296.436 4.169 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000551307303 334246059 /nfs/dbraw/zinc/24/60/59/334246059.db2.gz CUZMHTVZWGESNO-HIFRSBDPSA-N 1 0 274.364 4.053 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000552579519 334337605 /nfs/dbraw/zinc/33/76/05/334337605.db2.gz BVTJWAHMOPLGHT-NSHDSACASA-N 1 0 298.333 4.132 20 5 CIBDRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513425 334346147 /nfs/dbraw/zinc/34/61/47/334346147.db2.gz DEBOIJWDMVYPHB-GUYCJALGSA-N 1 0 296.370 4.241 20 5 CIBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552904450 334350134 /nfs/dbraw/zinc/35/01/34/334350134.db2.gz HSIHBZKFCCJPPZ-QANKJYHBSA-N 1 0 296.370 4.049 20 5 CIBDRO C[C@@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000553063274 334359467 /nfs/dbraw/zinc/35/94/67/334359467.db2.gz JMIWSWFJXBURAV-AWEZNQCLSA-N 1 0 298.386 4.223 20 5 CIBDRO Cc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000157138771 334760492 /nfs/dbraw/zinc/76/04/92/334760492.db2.gz LGSNFNXSXYXGRD-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO CCc1ccccc1C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000386382454 336171891 /nfs/dbraw/zinc/17/18/91/336171891.db2.gz HVEQCMXBEJALRZ-SFHVURJKSA-N 1 0 298.386 4.398 20 5 CIBDRO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000386750366 336177892 /nfs/dbraw/zinc/17/78/92/336177892.db2.gz BRWYADWFHSYRBO-GJZGRUSLSA-N 1 0 298.386 4.185 20 5 CIBDRO CC(C)C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000387329754 336192698 /nfs/dbraw/zinc/19/26/98/336192698.db2.gz ADMFCDFXBSYYEA-QGZVFWFLSA-N 1 0 298.386 4.472 20 5 CIBDRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177042 517416414 /nfs/dbraw/zinc/41/64/14/517416414.db2.gz FEJOTXFDJJRWAS-QWHCGFSZSA-N 1 0 264.369 4.070 20 5 CIBDRO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070091651 525886367 /nfs/dbraw/zinc/88/63/67/525886367.db2.gz JOGKSKBEJUOVOZ-RYUDHWBXSA-N 1 0 290.388 4.377 20 5 CIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000020148079 171035289 /nfs/dbraw/zinc/03/52/89/171035289.db2.gz KWSXSNSMEQOGIW-VXGBXAGGSA-N 1 0 288.322 4.146 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000020526243 171239559 /nfs/dbraw/zinc/23/95/59/171239559.db2.gz LZEIAOQFMOYLTO-MNOVXSKESA-N 1 0 276.361 4.068 20 5 CIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000020526237 171239569 /nfs/dbraw/zinc/23/95/69/171239569.db2.gz SFFQBAPTEIRPFF-RYUDHWBXSA-N 1 0 288.322 4.146 20 5 CIBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000021501815 171306020 /nfs/dbraw/zinc/30/60/20/171306020.db2.gz VMPDEWZHBVMLGH-KGLIPLIRSA-N 1 0 284.359 4.049 20 5 CIBDRO Cc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000035253022 172082359 /nfs/dbraw/zinc/08/23/59/172082359.db2.gz LXENEYLKHSUEQM-NSHDSACASA-N 1 0 290.388 4.124 20 5 CIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352570364 227071643 /nfs/dbraw/zinc/07/16/43/227071643.db2.gz GMCOWTGPYXGGNA-CYBMUJFWSA-N 1 0 298.342 4.038 20 5 CIBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000497425232 262159495 /nfs/dbraw/zinc/15/94/95/262159495.db2.gz FNFKDIFBOCORPH-SFHVURJKSA-N 1 0 298.386 4.424 20 5 CIBDRO CC[C@@H]([NH2+]CCCCCSC)c1cccc([N+](=O)[O-])c1 ZINC000186772209 262323938 /nfs/dbraw/zinc/32/39/38/262323938.db2.gz LFUUWYZBSPLZCO-OAHLLOKOSA-N 1 0 296.436 4.169 20 5 CIBDRO CCC[C@H]([NH2+]C(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000021060941 262375697 /nfs/dbraw/zinc/37/56/97/262375697.db2.gz BSZJEKCFOANKKU-INIZCTEOSA-N 1 0 288.391 4.214 20 5 CIBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)cccc1[N+](=O)[O-] ZINC000319965392 262381137 /nfs/dbraw/zinc/38/11/37/262381137.db2.gz CZOHEBLBUOINFO-SJKOYZFVSA-N 1 0 296.370 4.241 20 5 CIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1)CCCC2 ZINC000417304110 263794590 /nfs/dbraw/zinc/79/45/90/263794590.db2.gz TYCXJZHHXQHJBM-GOSISDBHSA-N 1 0 296.370 4.152 20 5 CIBDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178655292 327737208 /nfs/dbraw/zinc/73/72/08/327737208.db2.gz QLABRBFPIRIHMP-FDQGKXFDSA-N 1 0 296.370 4.049 20 5 CIBDRO Cc1ccc(C)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000048327019 328051766 /nfs/dbraw/zinc/05/17/66/328051766.db2.gz CMVVKCVRUVEHET-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000414497301 328189095 /nfs/dbraw/zinc/18/90/95/328189095.db2.gz SLGQJRRIVFFGLR-KRWDZBQOSA-N 1 0 284.359 4.144 20 5 CIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000070305720 328591830 /nfs/dbraw/zinc/59/18/30/328591830.db2.gz IGATVRDUVWZTHP-OLZOCXBDSA-N 1 0 276.380 4.133 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000037770198 326861178 /nfs/dbraw/zinc/86/11/78/326861178.db2.gz UXOGBIOYSSUVSJ-ZIAGYGMSSA-N 1 0 284.359 4.315 20 5 CIBDRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000409859884 327165943 /nfs/dbraw/zinc/16/59/43/327165943.db2.gz NWKZGSAMSMQPTE-LLVKDONJSA-N 1 0 298.333 4.071 20 5 CIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2sccc2c1 ZINC000562064687 327444725 /nfs/dbraw/zinc/44/47/25/327444725.db2.gz DMTSMBJVEAQOII-UHFFFAOYSA-N 1 0 298.367 4.099 20 5 CIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000133083540 329650593 /nfs/dbraw/zinc/65/05/93/329650593.db2.gz VPTZDYGNEPNRQQ-QGZVFWFLSA-N 1 0 296.370 4.070 20 5 CIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000419342995 329718708 /nfs/dbraw/zinc/71/87/08/329718708.db2.gz QHCVYNYZOSIYFV-ZDUSSCGKSA-N 1 0 296.370 4.323 20 5 CIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000035253669 330244470 /nfs/dbraw/zinc/24/44/70/330244470.db2.gz VBZIWBRLKKXTJE-VIFPVBQESA-N 1 0 296.779 4.161 20 5 CIBDRO CC(C)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000045041658 330337437 /nfs/dbraw/zinc/33/74/37/330337437.db2.gz UUYGKRXEXYKRGU-UHFFFAOYSA-N 1 0 290.388 4.070 20 5 CIBDRO Cc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000120421383 330388612 /nfs/dbraw/zinc/38/86/12/330388612.db2.gz TXDAIDIDPLXLRM-AWEZNQCLSA-N 1 0 284.359 4.062 20 5 CIBDRO CC(C)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000441436616 330768574 /nfs/dbraw/zinc/76/85/74/330768574.db2.gz PDRGJXZNZVFZHS-UHFFFAOYSA-N 1 0 296.798 4.116 20 5 CIBDRO Cc1cccc(C)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000160423423 330865356 /nfs/dbraw/zinc/86/53/56/330865356.db2.gz MVTBOLFGHHJIJG-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000453245774 331106870 /nfs/dbraw/zinc/10/68/70/331106870.db2.gz IKPPBUVLJBAAQJ-UGSOOPFHSA-N 1 0 296.370 4.241 20 5 CIBDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453248914 331107275 /nfs/dbraw/zinc/10/72/75/331107275.db2.gz SJSQYMVSFZTTFV-UGSOOPFHSA-N 1 0 296.370 4.241 20 5 CIBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000459464079 331282783 /nfs/dbraw/zinc/28/27/83/331282783.db2.gz MEIHSQVBZWXZPK-KMFMINBZSA-N 1 0 296.370 4.049 20 5 CIBDRO C[C@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000462758476 331327697 /nfs/dbraw/zinc/32/76/97/331327697.db2.gz ALTUDXZXCYEGCG-GOEBONIOSA-N 1 0 290.407 4.086 20 5 CIBDRO CC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464781569 331367803 /nfs/dbraw/zinc/36/78/03/331367803.db2.gz SVYSJGRGCOLZIO-BBRMVZONSA-N 1 0 276.380 4.168 20 5 CIBDRO CC[C@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464781575 331367813 /nfs/dbraw/zinc/36/78/13/331367813.db2.gz SVYSJGRGCOLZIO-XJKSGUPXSA-N 1 0 276.380 4.168 20 5 CIBDRO CC[C@H]([NH2+]C1CCC2(CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000488436086 332008226 /nfs/dbraw/zinc/00/82/26/332008226.db2.gz WWKMXTKAXVVBDK-INIZCTEOSA-N 1 0 288.391 4.358 20 5 CIBDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000489299495 332045831 /nfs/dbraw/zinc/04/58/31/332045831.db2.gz YBZQKBPJXYUONB-STQMWFEESA-N 1 0 264.369 4.024 20 5 CIBDRO CCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491343958 332193808 /nfs/dbraw/zinc/19/38/08/332193808.db2.gz USQANSDXPTUMHZ-KRWDZBQOSA-N 1 0 284.359 4.074 20 5 CIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000513074642 333002974 /nfs/dbraw/zinc/00/29/74/333002974.db2.gz IJXKYKCMZPDWDU-ZWKOTPCHSA-N 1 0 296.370 4.021 20 5 CIBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000336846466 335120949 /nfs/dbraw/zinc/12/09/49/335120949.db2.gz AESXYUHXYTXKQZ-MRXNPFEDSA-N 1 0 284.359 4.144 20 5 CIBDRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000190803712 333210972 /nfs/dbraw/zinc/21/09/72/333210972.db2.gz FEEHOGUKJWJEHI-CYBMUJFWSA-N 1 0 296.370 4.323 20 5 CIBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000522536248 333289364 /nfs/dbraw/zinc/28/93/64/333289364.db2.gz DQQQTWFZYMTTAG-UHFFFAOYSA-N 1 0 296.798 4.403 20 5 CIBDRO C[C@@H]([NH2+]C1(c2ccccc2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000173365960 335132617 /nfs/dbraw/zinc/13/26/17/335132617.db2.gz MFQVUUKEGRMBBB-CQSZACIVSA-N 1 0 296.370 4.325 20 5 CIBDRO CCc1ccc([C@@H](CC)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000315630081 333382802 /nfs/dbraw/zinc/38/28/02/333382802.db2.gz USUFCURJLDQHNX-QGZVFWFLSA-N 1 0 298.386 4.398 20 5 CIBDRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037775590 333539306 /nfs/dbraw/zinc/53/93/06/333539306.db2.gz BPQXCJDPCPPOKP-QWHCGFSZSA-N 1 0 276.380 4.214 20 5 CIBDRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000539093460 333657443 /nfs/dbraw/zinc/65/74/43/333657443.db2.gz LDYSPIJQLZPXBG-GXTWGEPZSA-N 1 0 294.395 4.223 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000540155733 333714586 /nfs/dbraw/zinc/71/45/86/333714586.db2.gz BQLQDNWFTMGZQP-VXGBXAGGSA-N 1 0 298.333 4.132 20 5 CIBDRO CCC[C@@H]([NH2+][C@H](C)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000070101843 333799291 /nfs/dbraw/zinc/79/92/91/333799291.db2.gz QZTPRDZTLKGTEV-MLGOLLRUSA-N 1 0 276.380 4.214 20 5 CIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000070788182 333829793 /nfs/dbraw/zinc/82/97/93/333829793.db2.gz KVMJOYOUSSBQIE-FZKQIMNGSA-N 1 0 296.370 4.323 20 5 CIBDRO C[C@H]([NH2+]Cc1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000071307274 333853405 /nfs/dbraw/zinc/85/34/05/333853405.db2.gz PPUNNTFODKYOOY-VIFPVBQESA-N 1 0 296.779 4.161 20 5 CIBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000546225173 334020272 /nfs/dbraw/zinc/02/02/72/334020272.db2.gz BGPKDEJESVKHBZ-CQSZACIVSA-N 1 0 284.359 4.062 20 5 CIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000546692009 334046429 /nfs/dbraw/zinc/04/64/29/334046429.db2.gz MFELMNVGFAMQAR-QWHCGFSZSA-N 1 0 276.380 4.133 20 5 CIBDRO CCC(CC)(CC)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000236627234 334060346 /nfs/dbraw/zinc/06/03/46/334060346.db2.gz WMPAXSLJXHDEQZ-PKNBQFBNSA-N 1 0 276.380 4.166 20 5 CIBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000550629920 334225684 /nfs/dbraw/zinc/22/56/84/334225684.db2.gz YDXVCOHFCSJCFR-ZDUSSCGKSA-N 1 0 296.370 4.323 20 5 CIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000551307304 334246024 /nfs/dbraw/zinc/24/60/24/334246024.db2.gz CUZMHTVZWGESNO-UKRRQHHQSA-N 1 0 274.364 4.053 20 5 CIBDRO C[C@@H]1CC[C@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552074481 334286379 /nfs/dbraw/zinc/28/63/79/334286379.db2.gz PRHRYXLJFVACRI-XWIAVFTESA-N 1 0 296.370 4.072 20 5 CIBDRO CC[C@H]([NH2+][C@H](C)CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000346549383 335369082 /nfs/dbraw/zinc/36/90/82/335369082.db2.gz BQQPQMXEDOWHJZ-WBMJQRKESA-N 1 0 276.380 4.214 20 5 CIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000382156920 336083167 /nfs/dbraw/zinc/08/31/67/336083167.db2.gz TXMJUGOJPOCKTP-CQSZACIVSA-N 1 0 290.388 4.206 20 5 CIBDRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000383649802 336116170 /nfs/dbraw/zinc/11/61/70/336116170.db2.gz IWFANPYRDHLOIP-UHFFFAOYSA-N 1 0 282.359 4.038 20 5 CIBDRO CCCc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000386972174 336183272 /nfs/dbraw/zinc/18/32/72/336183272.db2.gz YOZJHEURAPLNDJ-CQSZACIVSA-N 1 0 298.386 4.398 20 5 CIBDRO CC[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000353348100 529202560 /nfs/dbraw/zinc/20/25/60/529202560.db2.gz WYELZJCHYWKFKT-HZPDHXFCSA-N 1 0 288.391 4.358 20 5 CIBDRO