smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000601327644 342554343 /nfs/dbraw/zinc/55/43/43/342554343.db2.gz YECYXJAFJBYLML-PWSUYJOCSA-N 2 1 279.340 1.630 10 5 CDBEMP COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000601327644 342554344 /nfs/dbraw/zinc/55/43/44/342554344.db2.gz YECYXJAFJBYLML-PWSUYJOCSA-N 2 1 279.340 1.630 10 5 CDBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])nc1 ZINC000596360884 343310544 /nfs/dbraw/zinc/31/05/44/343310544.db2.gz HLNIZKSMFNMTMQ-LBPRGKRZSA-N 2 1 295.387 1.674 10 5 CDBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])nc1 ZINC000596360884 343310547 /nfs/dbraw/zinc/31/05/47/343310547.db2.gz HLNIZKSMFNMTMQ-LBPRGKRZSA-N 2 1 295.387 1.674 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)n1 ZINC000903483111 626006830 /nfs/dbraw/zinc/00/68/30/626006830.db2.gz DLUMSPAMZIEZSM-NSHDSACASA-N 2 1 279.344 1.056 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000600729393 342245717 /nfs/dbraw/zinc/24/57/17/342245717.db2.gz FUUZKYYZTLLSMR-LBPRGKRZSA-N 2 1 281.356 1.824 10 5 CDBEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000903964821 626171538 /nfs/dbraw/zinc/17/15/38/626171538.db2.gz RTDWUQPXZSKMBD-PWSUYJOCSA-N 2 1 279.340 1.549 10 5 CDBEMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CNCCO1 ZINC000595892945 343182232 /nfs/dbraw/zinc/18/22/32/343182232.db2.gz SKZPHGFFGGSPCM-OAHLLOKOSA-N 2 1 293.367 1.794 10 5 CDBEMP C[C@@H]1C[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000176262000 148032696 /nfs/dbraw/zinc/03/26/96/148032696.db2.gz PKOFQPGZVLNPTJ-NEPJUHHUSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@@H]1C[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000176262000 148032698 /nfs/dbraw/zinc/03/26/98/148032698.db2.gz PKOFQPGZVLNPTJ-NEPJUHHUSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@@H]1C[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000176262000 148032701 /nfs/dbraw/zinc/03/27/01/148032701.db2.gz PKOFQPGZVLNPTJ-NEPJUHHUSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1C ZINC000176262000 148032705 /nfs/dbraw/zinc/03/27/05/148032705.db2.gz PKOFQPGZVLNPTJ-NEPJUHHUSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@@H]1C[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1C ZINC000176262000 148032708 /nfs/dbraw/zinc/03/27/08/148032708.db2.gz PKOFQPGZVLNPTJ-NEPJUHHUSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@@]1(C[NH3+])CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728052 342829814 /nfs/dbraw/zinc/82/98/14/342829814.db2.gz XPEDKKMUFGNOAK-ZDUSSCGKSA-N 2 1 265.313 1.471 10 5 CDBEMP C[C@@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654363 359660238 /nfs/dbraw/zinc/66/02/38/359660238.db2.gz XOGJZAROHDSEAO-YPMHNXCESA-N 2 1 293.367 1.701 10 5 CDBEMP C[NH2+]CCOCC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000706665781 693324187 /nfs/dbraw/zinc/32/41/87/693324187.db2.gz SEGNNNPVLDHUJB-UHFFFAOYSA-N 2 1 285.319 1.402 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000706665781 693324194 /nfs/dbraw/zinc/32/41/94/693324194.db2.gz SEGNNNPVLDHUJB-UHFFFAOYSA-N 2 1 285.319 1.402 10 5 CDBEMP C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923494207 923882406 /nfs/dbraw/zinc/88/24/06/923882406.db2.gz WHPGJYRGLWZMGC-ZLDLUXBVSA-N 2 1 293.367 1.545 10 5 CDBEMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358142224 525566333 /nfs/dbraw/zinc/56/63/33/525566333.db2.gz QKEGWOPNXJXALI-CQSZACIVSA-N 2 1 279.340 1.059 10 5 CDBEMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358142224 525566346 /nfs/dbraw/zinc/56/63/46/525566346.db2.gz QKEGWOPNXJXALI-CQSZACIVSA-N 2 1 279.340 1.059 10 5 CDBEMP C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CC[NH3+] ZINC000923432193 695850228 /nfs/dbraw/zinc/85/02/28/695850228.db2.gz XDDJAJJOLUNKLW-UXIGCNINSA-N 2 1 293.367 1.545 10 5 CDBEMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000405278822 940977876 /nfs/dbraw/zinc/97/78/76/940977876.db2.gz UHLVKFXUGQXZTP-QWHCGFSZSA-N 2 1 261.325 1.954 10 5 CDBEMP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cs1 ZINC000261875091 726833335 /nfs/dbraw/zinc/83/33/35/726833335.db2.gz ZPYXRQIBWSLSBL-GFCCVEGCSA-N 2 1 296.396 1.136 10 5 CDBEMP O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cs1 ZINC000261875091 726833336 /nfs/dbraw/zinc/83/33/36/726833336.db2.gz ZPYXRQIBWSLSBL-GFCCVEGCSA-N 2 1 296.396 1.136 10 5 CDBEMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817969708 727197486 /nfs/dbraw/zinc/19/74/86/727197486.db2.gz YGPVXMNGUDEOOV-CMPLNLGQSA-N 2 1 278.356 1.970 10 5 CDBEMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000866706225 1164811993 /nfs/dbraw/zinc/81/19/93/1164811993.db2.gz NLHWWTSCQSHGDF-CQSZACIVSA-N 2 1 295.387 1.488 10 5 CDBEMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000872154001 1165387974 /nfs/dbraw/zinc/38/79/74/1165387974.db2.gz QLEQEYRNNONFAA-SWLSCSKDSA-N 2 1 291.351 1.515 10 5 CDBEMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000872154001 1165387981 /nfs/dbraw/zinc/38/79/81/1165387981.db2.gz QLEQEYRNNONFAA-SWLSCSKDSA-N 2 1 291.351 1.515 10 5 CDBEMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000405278823 940978140 /nfs/dbraw/zinc/97/81/40/940978140.db2.gz UHLVKFXUGQXZTP-STQMWFEESA-N 2 1 261.325 1.954 10 5 CDBEMP CCO[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405580290 349795296 /nfs/dbraw/zinc/79/52/96/349795296.db2.gz JYLYQTWSPBBIOR-YWPYICTPSA-N 2 1 293.367 1.951 10 5 CDBEMP CCO[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405580290 349795301 /nfs/dbraw/zinc/79/53/01/349795301.db2.gz JYLYQTWSPBBIOR-YWPYICTPSA-N 2 1 293.367 1.951 10 5 CDBEMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358141762 375952851 /nfs/dbraw/zinc/95/28/51/375952851.db2.gz QKEGWOPNXJXALI-AWEZNQCLSA-N 2 1 279.340 1.059 10 5 CDBEMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358141762 375952854 /nfs/dbraw/zinc/95/28/54/375952854.db2.gz QKEGWOPNXJXALI-AWEZNQCLSA-N 2 1 279.340 1.059 10 5 CDBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148678 176044508 /nfs/dbraw/zinc/04/45/08/176044508.db2.gz UOTNQUKMDMBUHC-CYBMUJFWSA-N 2 1 292.383 1.493 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420404685 244205753 /nfs/dbraw/zinc/20/57/53/244205753.db2.gz SHYAXGSVQFCNNT-QWHCGFSZSA-N 2 1 293.371 1.255 10 5 CDBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000596365224 343305475 /nfs/dbraw/zinc/30/54/75/343305475.db2.gz XESBPAHBUZJHHW-LBPRGKRZSA-N 2 1 295.387 1.674 10 5 CDBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000596365224 343305476 /nfs/dbraw/zinc/30/54/76/343305476.db2.gz XESBPAHBUZJHHW-LBPRGKRZSA-N 2 1 295.387 1.674 10 5 CDBEMP Cc1cc(NCC[NH+]2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000721978398 742906744 /nfs/dbraw/zinc/90/67/44/742906744.db2.gz GRPGJHUNMWJVIM-UHFFFAOYSA-N 2 1 278.356 1.738 10 5 CDBEMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414959781 241484984 /nfs/dbraw/zinc/48/49/84/241484984.db2.gz QIQSNNLNVMYGFH-RISCZKNCSA-N 2 1 263.341 1.991 10 5 CDBEMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750320 174395129 /nfs/dbraw/zinc/39/51/29/174395129.db2.gz VSWTXOWLTLRTSW-YOGCLGLASA-N 2 1 279.344 1.054 10 5 CDBEMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750320 174395130 /nfs/dbraw/zinc/39/51/30/174395130.db2.gz VSWTXOWLTLRTSW-YOGCLGLASA-N 2 1 279.344 1.054 10 5 CDBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOCC[NH3+] ZINC000592476461 342699147 /nfs/dbraw/zinc/69/91/47/342699147.db2.gz GAPFPIDTIVRYKD-LLVKDONJSA-N 2 1 267.329 1.563 10 5 CDBEMP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592984566 342751416 /nfs/dbraw/zinc/75/14/16/342751416.db2.gz PRXGRDPVOOTUHP-OCCSQVGLSA-N 2 1 293.371 1.255 10 5 CDBEMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592984566 342751417 /nfs/dbraw/zinc/75/14/17/342751417.db2.gz PRXGRDPVOOTUHP-OCCSQVGLSA-N 2 1 293.371 1.255 10 5 CDBEMP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872065216 759029256 /nfs/dbraw/zinc/02/92/56/759029256.db2.gz VTFPJHSBWCGQSH-LLVKDONJSA-N 2 1 299.346 1.963 10 5 CDBEMP C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000601326102 342553617 /nfs/dbraw/zinc/55/36/17/342553617.db2.gz JPPAYUFMXRNECT-WCQYABFASA-N 2 1 263.341 1.664 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000600730892 342245777 /nfs/dbraw/zinc/24/57/77/342245777.db2.gz NUFSKVZMXRKQDS-UHFFFAOYSA-N 2 1 267.329 1.263 10 5 CDBEMP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595891740 343182316 /nfs/dbraw/zinc/18/23/16/343182316.db2.gz NGFPBLHQWCAYQF-CYBMUJFWSA-N 2 1 291.351 1.548 10 5 CDBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccsc1[N+](=O)[O-] ZINC000596426032 343311878 /nfs/dbraw/zinc/31/18/78/343311878.db2.gz ZSWVTOKYKKGDPH-UHFFFAOYSA-N 2 1 286.401 1.952 10 5 CDBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccsc1[N+](=O)[O-] ZINC000596426032 343311880 /nfs/dbraw/zinc/31/18/80/343311880.db2.gz ZSWVTOKYKKGDPH-UHFFFAOYSA-N 2 1 286.401 1.952 10 5 CDBEMP C[NH2+]CCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000600732119 375368081 /nfs/dbraw/zinc/36/80/81/375368081.db2.gz XEIVVKCEPMHKNA-UHFFFAOYSA-N 2 1 297.355 1.271 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000600732119 375368089 /nfs/dbraw/zinc/36/80/89/375368089.db2.gz XEIVVKCEPMHKNA-UHFFFAOYSA-N 2 1 297.355 1.271 10 5 CDBEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000903459733 625994960 /nfs/dbraw/zinc/99/49/60/625994960.db2.gz YHMPFMOXCOFIAD-OCCSQVGLSA-N 2 1 277.368 1.925 10 5 CDBEMP Cc1ccc(NCC[NH+]2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000721981461 788238597 /nfs/dbraw/zinc/23/85/97/788238597.db2.gz QGILZZJGABFVTQ-UHFFFAOYSA-N 2 1 278.356 1.738 10 5 CDBEMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000062727094 522956962 /nfs/dbraw/zinc/95/69/62/522956962.db2.gz FHEHZIMTTSONNU-UHFFFAOYSA-N 2 1 263.341 1.821 10 5 CDBEMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326435 342553911 /nfs/dbraw/zinc/55/39/11/342553911.db2.gz MHCMUPFBMLPFQO-JQWIXIFHSA-N 2 1 279.340 1.630 10 5 CDBEMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326435 342553912 /nfs/dbraw/zinc/55/39/12/342553912.db2.gz MHCMUPFBMLPFQO-JQWIXIFHSA-N 2 1 279.340 1.630 10 5 CDBEMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000600677151 342241904 /nfs/dbraw/zinc/24/19/04/342241904.db2.gz BVGCCLQBYWOZLP-UHFFFAOYSA-N 2 1 279.340 1.501 10 5 CDBEMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414959777 371172288 /nfs/dbraw/zinc/17/22/88/371172288.db2.gz QIQSNNLNVMYGFH-FZMZJTMJSA-N 2 1 263.341 1.991 10 5 CDBEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000593727991 342829600 /nfs/dbraw/zinc/82/96/00/342829600.db2.gz UKAFCCCVIHSOED-LEWSCRJBSA-N 2 1 291.351 1.860 10 5 CDBEMP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000593727991 342829602 /nfs/dbraw/zinc/82/96/02/342829602.db2.gz UKAFCCCVIHSOED-LEWSCRJBSA-N 2 1 291.351 1.860 10 5 CDBEMP Cc1nc(NCC[N@@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596424283 343311633 /nfs/dbraw/zinc/31/16/33/343311633.db2.gz GAHGOBRNKZQMEF-UHFFFAOYSA-N 2 1 295.387 1.016 10 5 CDBEMP Cc1nc(NCC[N@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596424283 343311634 /nfs/dbraw/zinc/31/16/34/343311634.db2.gz GAHGOBRNKZQMEF-UHFFFAOYSA-N 2 1 295.387 1.016 10 5 CDBEMP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000592984568 342751445 /nfs/dbraw/zinc/75/14/45/342751445.db2.gz PRXGRDPVOOTUHP-TZMCWYRMSA-N 2 1 293.371 1.255 10 5 CDBEMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000592984568 342751447 /nfs/dbraw/zinc/75/14/47/342751447.db2.gz PRXGRDPVOOTUHP-TZMCWYRMSA-N 2 1 293.371 1.255 10 5 CDBEMP C[NH+](C)CCC[N@H+](C)CCNc1cccnc1[N+](=O)[O-] ZINC000596426042 343311979 /nfs/dbraw/zinc/31/19/79/343311979.db2.gz ZWBSYVVVOVJUQP-UHFFFAOYSA-N 2 1 281.360 1.285 10 5 CDBEMP C[NH+](C)CCC[N@@H+](C)CCNc1cccnc1[N+](=O)[O-] ZINC000596426042 343311982 /nfs/dbraw/zinc/31/19/82/343311982.db2.gz ZWBSYVVVOVJUQP-UHFFFAOYSA-N 2 1 281.360 1.285 10 5 CDBEMP C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C[NH3+] ZINC000923498766 848588976 /nfs/dbraw/zinc/58/89/76/848588976.db2.gz LDEOMJKGJSQKST-OLZOCXBDSA-N 2 1 293.367 1.890 10 5 CDBEMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414954421 371160155 /nfs/dbraw/zinc/16/01/55/371160155.db2.gz KQQNTZHNXNNPCL-ZYHUDNBSSA-N 2 1 279.340 1.691 10 5 CDBEMP COc1ccc(CN[C@@H]2C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358014241 375944548 /nfs/dbraw/zinc/94/45/48/375944548.db2.gz BWBWSSRCCTXVJY-CMPLNLGQSA-N 2 1 279.340 1.643 10 5 CDBEMP COc1ccc(CN[C@@H]2C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358014241 375944552 /nfs/dbraw/zinc/94/45/52/375944552.db2.gz BWBWSSRCCTXVJY-CMPLNLGQSA-N 2 1 279.340 1.643 10 5 CDBEMP C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148983 176044543 /nfs/dbraw/zinc/04/45/43/176044543.db2.gz DFGCINBYMAUTPB-ZDUSSCGKSA-N 2 1 292.383 1.493 10 5 CDBEMP CCO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C[NH3+] ZINC000593314882 342787688 /nfs/dbraw/zinc/78/76/88/342787688.db2.gz GZJLPMMKFLGNNL-UKRRQHHQSA-N 2 1 293.367 1.699 10 5 CDBEMP CCO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C[NH3+] ZINC000593314882 342787689 /nfs/dbraw/zinc/78/76/89/342787689.db2.gz GZJLPMMKFLGNNL-UKRRQHHQSA-N 2 1 293.367 1.699 10 5 CDBEMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414954419 371160821 /nfs/dbraw/zinc/16/08/21/371160821.db2.gz KQQNTZHNXNNPCL-JQWIXIFHSA-N 2 1 279.340 1.691 10 5 CDBEMP C[N@H+]1CCC[C@@H](C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000044536064 175198370 /nfs/dbraw/zinc/19/83/70/175198370.db2.gz IFPKHMBFCCYBOZ-ZDUSSCGKSA-N 2 1 293.367 1.905 10 5 CDBEMP C[N@H+]1C[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193601723 140146416 /nfs/dbraw/zinc/14/64/16/140146416.db2.gz CGPOHWIIFIRLJF-BETUJISGSA-N 2 1 291.351 1.467 10 5 CDBEMP C[N@@H+]1C[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193601723 140146417 /nfs/dbraw/zinc/14/64/17/140146417.db2.gz CGPOHWIIFIRLJF-BETUJISGSA-N 2 1 291.351 1.467 10 5 CDBEMP C[NH+]1C[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193601723 140146418 /nfs/dbraw/zinc/14/64/18/140146418.db2.gz CGPOHWIIFIRLJF-BETUJISGSA-N 2 1 291.351 1.467 10 5 CDBEMP C[NH+]1C[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193601723 140146419 /nfs/dbraw/zinc/14/64/19/140146419.db2.gz CGPOHWIIFIRLJF-BETUJISGSA-N 2 1 291.351 1.467 10 5 CDBEMP C[C@@H]([NH3+])[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727657 342829528 /nfs/dbraw/zinc/82/95/28/342829528.db2.gz PKYXWJBDTSYXPX-NXEZZACHSA-N 2 1 265.313 1.470 10 5 CDBEMP CCO[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405626253 349796142 /nfs/dbraw/zinc/79/61/42/349796142.db2.gz XMDQFLSDCFQPBD-UXIGCNINSA-N 2 1 293.367 1.951 10 5 CDBEMP CCO[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405626253 349796148 /nfs/dbraw/zinc/79/61/48/349796148.db2.gz XMDQFLSDCFQPBD-UXIGCNINSA-N 2 1 293.367 1.951 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000600730215 342245827 /nfs/dbraw/zinc/24/58/27/342245827.db2.gz ZRLQOUXUMHHRPF-UHFFFAOYSA-N 2 1 297.355 1.271 10 5 CDBEMP Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000601325860 342554035 /nfs/dbraw/zinc/55/40/35/342554035.db2.gz GMJZEHCDMZTRKV-AAEUAGOBSA-N 2 1 263.341 1.930 10 5 CDBEMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000601325860 342554036 /nfs/dbraw/zinc/55/40/36/342554036.db2.gz GMJZEHCDMZTRKV-AAEUAGOBSA-N 2 1 263.341 1.930 10 5 CDBEMP O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420373726 285184193 /nfs/dbraw/zinc/18/41/93/285184193.db2.gz MYMZGSUKMOZKNS-LLVKDONJSA-N 2 1 276.340 1.348 10 5 CDBEMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000175731043 261243335 /nfs/dbraw/zinc/24/33/35/261243335.db2.gz VZOJTDUZIJWNBQ-CHWSQXEVSA-N 2 1 295.387 1.453 10 5 CDBEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000175731043 261243337 /nfs/dbraw/zinc/24/33/37/261243337.db2.gz VZOJTDUZIJWNBQ-CHWSQXEVSA-N 2 1 295.387 1.453 10 5 CDBEMP C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923498802 1161545599 /nfs/dbraw/zinc/54/55/99/1161545599.db2.gz LRMRLAKWJLSJSF-QWHCGFSZSA-N 2 1 293.367 1.890 10 5 CDBEMP C[C@@H]1C[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000176261965 148032653 /nfs/dbraw/zinc/03/26/53/148032653.db2.gz PKOFQPGZVLNPTJ-VXGBXAGGSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@@H]1C[C@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000176261965 148032655 /nfs/dbraw/zinc/03/26/55/148032655.db2.gz PKOFQPGZVLNPTJ-VXGBXAGGSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@@H]1C[C@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000176261965 148032657 /nfs/dbraw/zinc/03/26/57/148032657.db2.gz PKOFQPGZVLNPTJ-VXGBXAGGSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1C ZINC000176261965 148032659 /nfs/dbraw/zinc/03/26/59/148032659.db2.gz PKOFQPGZVLNPTJ-VXGBXAGGSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@@H]1C[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1C ZINC000176261965 148032660 /nfs/dbraw/zinc/03/26/60/148032660.db2.gz PKOFQPGZVLNPTJ-VXGBXAGGSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923491588 728019319 /nfs/dbraw/zinc/01/93/19/728019319.db2.gz JSOCEXSXUMJLEL-GHMZBOCLSA-N 2 1 264.329 1.407 10 5 CDBEMP Cc1c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000601325440 342553510 /nfs/dbraw/zinc/55/35/10/342553510.db2.gz CJEBDZOJDOMZQS-GWCFXTLKSA-N 2 1 263.341 1.930 10 5 CDBEMP C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000601326103 342553710 /nfs/dbraw/zinc/55/37/10/342553710.db2.gz JPPAYUFMXRNECT-YPMHNXCESA-N 2 1 263.341 1.664 10 5 CDBEMP C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2[N+](=O)[O-])C1 ZINC000071147766 176044099 /nfs/dbraw/zinc/04/40/99/176044099.db2.gz NTYPOYNWKTWXSG-GFCCVEGCSA-N 2 1 263.341 1.679 10 5 CDBEMP C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2[N+](=O)[O-])C1 ZINC000071147766 176044100 /nfs/dbraw/zinc/04/41/00/176044100.db2.gz NTYPOYNWKTWXSG-GFCCVEGCSA-N 2 1 263.341 1.679 10 5 CDBEMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414949993 370970466 /nfs/dbraw/zinc/97/04/66/370970466.db2.gz FONQWBAGLDIKSQ-YPMHNXCESA-N 2 1 263.341 1.991 10 5 CDBEMP C[N@@H+]1C[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000193655340 375889172 /nfs/dbraw/zinc/88/91/72/375889172.db2.gz QLKGPNNAWUONJO-BETUJISGSA-N 2 1 291.351 1.467 10 5 CDBEMP C[NH+]1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000062726266 523774692 /nfs/dbraw/zinc/77/46/92/523774692.db2.gz VQMRYFNSUOEEEN-UHFFFAOYSA-N 2 1 263.341 1.821 10 5 CDBEMP C[N@@H+](CCCCCC[NH3+])CCn1cc([N+](=O)[O-])cn1 ZINC000872155095 731163384 /nfs/dbraw/zinc/16/33/84/731163384.db2.gz CBZHNSFIFAIQCC-UHFFFAOYSA-N 2 1 269.349 1.242 10 5 CDBEMP Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000721977167 734064046 /nfs/dbraw/zinc/06/40/46/734064046.db2.gz DDHFZXUXUWWLJX-UHFFFAOYSA-N 2 1 278.356 1.738 10 5 CDBEMP C[NH+]1CCC([NH+]2CCC(n3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000217658095 375693539 /nfs/dbraw/zinc/69/35/39/375693539.db2.gz HOAGDZCNEUSXHV-UHFFFAOYSA-N 2 1 293.371 1.522 10 5 CDBEMP CC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000593727248 342829555 /nfs/dbraw/zinc/82/95/55/342829555.db2.gz HATYEPJPHTWOSV-GXFFZTMASA-N 2 1 279.340 1.860 10 5 CDBEMP CC(C)(C[NH+]1CCCC1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000452100038 391016938 /nfs/dbraw/zinc/01/69/38/391016938.db2.gz YMFOFTCVVKAKGG-UHFFFAOYSA-N 2 1 281.360 1.255 10 5 CDBEMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000866706223 745281980 /nfs/dbraw/zinc/28/19/80/745281980.db2.gz NLHWWTSCQSHGDF-AWEZNQCLSA-N 2 1 295.387 1.488 10 5 CDBEMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414959773 371076923 /nfs/dbraw/zinc/07/69/23/371076923.db2.gz QIQSNNLNVMYGFH-BXUZGUMPSA-N 2 1 263.341 1.991 10 5 CDBEMP C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903496912 626011991 /nfs/dbraw/zinc/01/19/91/626011991.db2.gz KAECXIAHMWZPTB-CHWSQXEVSA-N 2 1 293.367 1.890 10 5 CDBEMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000405278820 940977559 /nfs/dbraw/zinc/97/75/59/940977559.db2.gz UHLVKFXUGQXZTP-CHWSQXEVSA-N 2 1 261.325 1.954 10 5 CDBEMP Cc1c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000601325443 342553506 /nfs/dbraw/zinc/55/35/06/342553506.db2.gz CJEBDZOJDOMZQS-ZWNOBZJWSA-N 2 1 263.341 1.930 10 5 CDBEMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000247029021 280316112 /nfs/dbraw/zinc/31/61/12/280316112.db2.gz MQTVUJXWMIGWQJ-JSGCOSHPSA-N 2 1 295.387 1.453 10 5 CDBEMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000247029021 280316113 /nfs/dbraw/zinc/31/61/13/280316113.db2.gz MQTVUJXWMIGWQJ-JSGCOSHPSA-N 2 1 295.387 1.453 10 5 CDBEMP Cc1[nH+]ccn1CCOc1ccc([N+](=O)[O-])cc1C[NH3+] ZINC000049329514 527434712 /nfs/dbraw/zinc/43/47/12/527434712.db2.gz JMBCDCZSDOAKKQ-UHFFFAOYSA-N 2 1 276.296 1.637 10 5 CDBEMP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000601325863 342554030 /nfs/dbraw/zinc/55/40/30/342554030.db2.gz GMJZEHCDMZTRKV-YPMHNXCESA-N 2 1 263.341 1.930 10 5 CDBEMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000601325863 342554031 /nfs/dbraw/zinc/55/40/31/342554031.db2.gz GMJZEHCDMZTRKV-YPMHNXCESA-N 2 1 263.341 1.930 10 5 CDBEMP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925600195 932913228 /nfs/dbraw/zinc/91/32/28/932913228.db2.gz GLWBTSSNDFJCFW-ZIAGYGMSSA-N 2 1 291.351 1.963 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000592478984 342699312 /nfs/dbraw/zinc/69/93/12/342699312.db2.gz PEHQUQZKCHWZMY-QWHCGFSZSA-N 2 1 293.371 1.255 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000592478984 342699313 /nfs/dbraw/zinc/69/93/13/342699313.db2.gz PEHQUQZKCHWZMY-QWHCGFSZSA-N 2 1 293.371 1.255 10 5 CDBEMP C[C@H]1C[C@@H](C[NH3+])CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728043 342829795 /nfs/dbraw/zinc/82/97/95/342829795.db2.gz XICCUVYIHMVTCA-UWVGGRQHSA-N 2 1 265.313 1.470 10 5 CDBEMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414949773 370969341 /nfs/dbraw/zinc/96/93/41/370969341.db2.gz FONQWBAGLDIKSQ-AAEUAGOBSA-N 2 1 263.341 1.991 10 5 CDBEMP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925600191 793291294 /nfs/dbraw/zinc/29/12/94/793291294.db2.gz GLWBTSSNDFJCFW-KGLIPLIRSA-N 2 1 291.351 1.963 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000600731260 342245794 /nfs/dbraw/zinc/24/57/94/342245794.db2.gz QDUXLHIWGYHKPH-UHFFFAOYSA-N 2 1 267.329 1.263 10 5 CDBEMP [NH3+]C[C@H]1CCC[N@@H+](CCc2ccccc2[N+](=O)[O-])C1 ZINC000062727104 527232656 /nfs/dbraw/zinc/23/26/56/527232656.db2.gz VSVLWRMHGJVHMP-GFCCVEGCSA-N 2 1 263.341 1.808 10 5 CDBEMP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595891741 343182407 /nfs/dbraw/zinc/18/24/07/343182407.db2.gz NGFPBLHQWCAYQF-ZDUSSCGKSA-N 2 1 291.351 1.548 10 5 CDBEMP C[C@H]1C[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000176262017 148033278 /nfs/dbraw/zinc/03/32/78/148033278.db2.gz PKOFQPGZVLNPTJ-RYUDHWBXSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@H]1C[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000176262017 148033281 /nfs/dbraw/zinc/03/32/81/148033281.db2.gz PKOFQPGZVLNPTJ-RYUDHWBXSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@H]1C[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000176262017 148033284 /nfs/dbraw/zinc/03/32/84/148033284.db2.gz PKOFQPGZVLNPTJ-RYUDHWBXSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1C ZINC000176262017 148033289 /nfs/dbraw/zinc/03/32/89/148033289.db2.gz PKOFQPGZVLNPTJ-RYUDHWBXSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@H]1C[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1C ZINC000176262017 148033295 /nfs/dbraw/zinc/03/32/95/148033295.db2.gz PKOFQPGZVLNPTJ-RYUDHWBXSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@H]([NH2+]CCOCC[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872065217 817881484 /nfs/dbraw/zinc/88/14/84/817881484.db2.gz VTFPJHSBWCGQSH-NSHDSACASA-N 2 1 299.346 1.963 10 5 CDBEMP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cs1 ZINC000261875092 903733914 /nfs/dbraw/zinc/73/39/14/903733914.db2.gz ZPYXRQIBWSLSBL-LBPRGKRZSA-N 2 1 296.396 1.136 10 5 CDBEMP O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cs1 ZINC000261875092 903733926 /nfs/dbraw/zinc/73/39/26/903733926.db2.gz ZPYXRQIBWSLSBL-LBPRGKRZSA-N 2 1 296.396 1.136 10 5 CDBEMP C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000601326838 342554359 /nfs/dbraw/zinc/55/43/59/342554359.db2.gz QSKQGTFEYBHIGD-VXGBXAGGSA-N 2 1 279.340 1.500 10 5 CDBEMP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000592984563 342751469 /nfs/dbraw/zinc/75/14/69/342751469.db2.gz PRXGRDPVOOTUHP-GXTWGEPZSA-N 2 1 293.371 1.255 10 5 CDBEMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000592984563 342751470 /nfs/dbraw/zinc/75/14/70/342751470.db2.gz PRXGRDPVOOTUHP-GXTWGEPZSA-N 2 1 293.371 1.255 10 5 CDBEMP C[NH+](C)CCC[N@H+](C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000853800086 819883434 /nfs/dbraw/zinc/88/34/34/819883434.db2.gz YYPLVDJDJVIDQM-UHFFFAOYSA-N 2 1 295.387 1.472 10 5 CDBEMP C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923491590 822489629 /nfs/dbraw/zinc/48/96/29/822489629.db2.gz JSOCEXSXUMJLEL-QWRGUYRKSA-N 2 1 264.329 1.407 10 5 CDBEMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817978235 930655395 /nfs/dbraw/zinc/65/53/95/930655395.db2.gz YTVBMEOYPOTARS-VGMNWLOBSA-N 2 1 252.318 1.563 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000592478986 342699337 /nfs/dbraw/zinc/69/93/37/342699337.db2.gz PEHQUQZKCHWZMY-STQMWFEESA-N 2 1 293.371 1.255 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000592478986 342699338 /nfs/dbraw/zinc/69/93/38/342699338.db2.gz PEHQUQZKCHWZMY-STQMWFEESA-N 2 1 293.371 1.255 10 5 CDBEMP O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCn1ccnc1)CC2 ZINC000347782220 359637681 /nfs/dbraw/zinc/63/76/81/359637681.db2.gz IMUSNHQVFOEGNJ-UHFFFAOYSA-N 2 1 287.323 1.635 10 5 CDBEMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414949988 370969917 /nfs/dbraw/zinc/96/99/17/370969917.db2.gz FONQWBAGLDIKSQ-DGCLKSJQSA-N 2 1 263.341 1.991 10 5 CDBEMP Cc1[nH+]ccn1CCOc1cc(C[NH3+])ccc1[N+](=O)[O-] ZINC000050516167 527432947 /nfs/dbraw/zinc/43/29/47/527432947.db2.gz JPJLLBCPIKWNRB-UHFFFAOYSA-N 2 1 276.296 1.637 10 5 CDBEMP C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923494204 826068567 /nfs/dbraw/zinc/06/85/67/826068567.db2.gz WHPGJYRGLWZMGC-UXIGCNINSA-N 2 1 293.367 1.545 10 5 CDBEMP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000601327642 342554378 /nfs/dbraw/zinc/55/43/78/342554378.db2.gz YECYXJAFJBYLML-CMPLNLGQSA-N 2 1 279.340 1.630 10 5 CDBEMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000601327642 342554379 /nfs/dbraw/zinc/55/43/79/342554379.db2.gz YECYXJAFJBYLML-CMPLNLGQSA-N 2 1 279.340 1.630 10 5 CDBEMP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728045 342829735 /nfs/dbraw/zinc/82/97/35/342829735.db2.gz XICCUVYIHMVTCA-ZJUUUORDSA-N 2 1 265.313 1.470 10 5 CDBEMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000600711424 342243571 /nfs/dbraw/zinc/24/35/71/342243571.db2.gz UDQFDUGZOZYQBQ-LLVKDONJSA-N 2 1 279.340 1.753 10 5 CDBEMP Cc1ccc(C[N@H+](C)CC2CN(C)C2)cc1[N+](=O)[O-] ZINC000597203924 343473484 /nfs/dbraw/zinc/47/34/84/343473484.db2.gz YYEQQVUNDROEJI-UHFFFAOYSA-N 2 1 263.341 1.897 10 5 CDBEMP Cc1ccc(CN(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000597203924 343473487 /nfs/dbraw/zinc/47/34/87/343473487.db2.gz YYEQQVUNDROEJI-UHFFFAOYSA-N 2 1 263.341 1.897 10 5 CDBEMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817969709 834342682 /nfs/dbraw/zinc/34/26/82/834342682.db2.gz YGPVXMNGUDEOOV-ZYHUDNBSSA-N 2 1 278.356 1.970 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000600725517 342245127 /nfs/dbraw/zinc/24/51/27/342245127.db2.gz FJZWZTKQILVWAR-GFCCVEGCSA-N 2 1 281.356 1.824 10 5 CDBEMP C[N@@H+](Cc1ccc(NN)c([N+](=O)[O-])c1)C[C@@H]1CC[NH+](C)C1 ZINC000071191165 176070188 /nfs/dbraw/zinc/07/01/88/176070188.db2.gz SLPWCUQARCLMTI-GFCCVEGCSA-N 2 1 293.371 1.264 10 5 CDBEMP C[N@H+](Cc1ccc(NN)c([N+](=O)[O-])c1)C[C@@H]1CC[NH+](C)C1 ZINC000071191165 176070190 /nfs/dbraw/zinc/07/01/90/176070190.db2.gz SLPWCUQARCLMTI-GFCCVEGCSA-N 2 1 293.371 1.264 10 5 CDBEMP C[NH+](Cc1ccc(NN)c([N+](=O)[O-])c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071191165 176070191 /nfs/dbraw/zinc/07/01/91/176070191.db2.gz SLPWCUQARCLMTI-GFCCVEGCSA-N 2 1 293.371 1.264 10 5 CDBEMP C[NH+](Cc1ccc(NN)c([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191165 176070192 /nfs/dbraw/zinc/07/01/92/176070192.db2.gz SLPWCUQARCLMTI-GFCCVEGCSA-N 2 1 293.371 1.264 10 5 CDBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592428359 342694746 /nfs/dbraw/zinc/69/47/46/342694746.db2.gz BRPFWLPSNDAYKQ-UHFFFAOYSA-N 2 1 292.383 1.240 10 5 CDBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])s1 ZINC000596423802 343311440 /nfs/dbraw/zinc/31/14/40/343311440.db2.gz CIDQSKIXQNDUCK-UHFFFAOYSA-N 2 1 286.401 1.952 10 5 CDBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])s1 ZINC000596423802 343311442 /nfs/dbraw/zinc/31/14/42/343311442.db2.gz CIDQSKIXQNDUCK-UHFFFAOYSA-N 2 1 286.401 1.952 10 5 CDBEMP [NH3+]CC[NH2+]CCCCCc1ccc([N+](=O)[O-])cc1 ZINC000196303310 357264071 /nfs/dbraw/zinc/26/40/71/357264071.db2.gz GZVFJYQYOQMVNM-UHFFFAOYSA-N 2 1 251.330 1.856 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000600772481 342248971 /nfs/dbraw/zinc/24/89/71/342248971.db2.gz CXLRFFXPEKQECW-ALCCZGGFSA-N 2 1 293.367 1.776 10 5 CDBEMP C[N@H+]1CCC[C@H](C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000044536062 175198415 /nfs/dbraw/zinc/19/84/15/175198415.db2.gz IFPKHMBFCCYBOZ-CYBMUJFWSA-N 2 1 293.367 1.905 10 5 CDBEMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000044513917 175189153 /nfs/dbraw/zinc/18/91/53/175189153.db2.gz NLRQLFMGFXRLCP-UHFFFAOYSA-N 2 1 292.339 1.204 10 5 CDBEMP [NH3+]CC1CC[NH+](Cc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000044514024 175189389 /nfs/dbraw/zinc/18/93/89/175189389.db2.gz IQBILDMFXYDAPJ-UHFFFAOYSA-N 2 1 289.339 1.413 10 5 CDBEMP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903483163 626006739 /nfs/dbraw/zinc/00/67/39/626006739.db2.gz FHRKNAJYFKPRSD-LBPRGKRZSA-N 2 1 279.344 1.056 10 5 CDBEMP C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CC[NH3+] ZINC000923432192 679486569 /nfs/dbraw/zinc/48/65/69/679486569.db2.gz XDDJAJJOLUNKLW-KYOSRNDESA-N 2 1 293.367 1.545 10 5 CDBEMP C[C@H]1C[C@H](C[NH3+])CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728044 342829739 /nfs/dbraw/zinc/82/97/39/342829739.db2.gz XICCUVYIHMVTCA-VHSXEESVSA-N 2 1 265.313 1.470 10 5 CDBEMP Cc1cc(NCC[N@@H+](C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596425141 343311912 /nfs/dbraw/zinc/31/19/12/343311912.db2.gz MHLVMWYITCPURL-UHFFFAOYSA-N 2 1 295.387 1.016 10 5 CDBEMP Cc1cc(NCC[N@H+](C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596425141 343311914 /nfs/dbraw/zinc/31/19/14/343311914.db2.gz MHLVMWYITCPURL-UHFFFAOYSA-N 2 1 295.387 1.016 10 5 CDBEMP C[NH2+]C[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000040600973 174350869 /nfs/dbraw/zinc/35/08/69/174350869.db2.gz CUEGPGWEAYXZPI-LBPRGKRZSA-N 2 1 281.360 1.031 10 5 CDBEMP C[NH2+]C[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000040600973 174350870 /nfs/dbraw/zinc/35/08/70/174350870.db2.gz CUEGPGWEAYXZPI-LBPRGKRZSA-N 2 1 281.360 1.031 10 5 CDBEMP C[N@@H+](Cc1ccc(NN)c([N+](=O)[O-])c1)C[C@H]1CC[NH+](C)C1 ZINC000071191164 176069616 /nfs/dbraw/zinc/06/96/16/176069616.db2.gz SLPWCUQARCLMTI-LBPRGKRZSA-N 2 1 293.371 1.264 10 5 CDBEMP C[N@H+](Cc1ccc(NN)c([N+](=O)[O-])c1)C[C@H]1CC[NH+](C)C1 ZINC000071191164 176069617 /nfs/dbraw/zinc/06/96/17/176069617.db2.gz SLPWCUQARCLMTI-LBPRGKRZSA-N 2 1 293.371 1.264 10 5 CDBEMP C[NH+](Cc1ccc(NN)c([N+](=O)[O-])c1)C[C@H]1CC[N@H+](C)C1 ZINC000071191164 176069619 /nfs/dbraw/zinc/06/96/19/176069619.db2.gz SLPWCUQARCLMTI-LBPRGKRZSA-N 2 1 293.371 1.264 10 5 CDBEMP C[NH+](Cc1ccc(NN)c([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071191164 176069621 /nfs/dbraw/zinc/06/96/21/176069621.db2.gz SLPWCUQARCLMTI-LBPRGKRZSA-N 2 1 293.371 1.264 10 5 CDBEMP CC(C)C[N@@H+](CC[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000931561342 618059403 /nfs/dbraw/zinc/05/94/03/618059403.db2.gz HGMCDAJJLWHPOV-UHFFFAOYSA-N 2 1 257.378 1.563 10 5 CDBEMP C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923498799 681796028 /nfs/dbraw/zinc/79/60/28/681796028.db2.gz LRMRLAKWJLSJSF-CHWSQXEVSA-N 2 1 293.367 1.890 10 5 CDBEMP C[N@H+]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000598968172 343931356 /nfs/dbraw/zinc/93/13/56/343931356.db2.gz UPCQUFSXUWETRF-NSHDSACASA-N 2 1 281.360 1.254 10 5 CDBEMP C[N@H+]1CC[C@@H](C[NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000062726322 523962609 /nfs/dbraw/zinc/96/26/09/523962609.db2.gz WJQLZNOEHDADMQ-LBPRGKRZSA-N 2 1 263.341 1.679 10 5 CDBEMP CC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000593727249 342829806 /nfs/dbraw/zinc/82/98/06/342829806.db2.gz HATYEPJPHTWOSV-MFKMUULPSA-N 2 1 279.340 1.860 10 5 CDBEMP C[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H]1CC[NH+](C)C1 ZINC000071191103 176068906 /nfs/dbraw/zinc/06/89/06/176068906.db2.gz LDWXHMSLVPSQPJ-GFCCVEGCSA-N 2 1 278.356 1.561 10 5 CDBEMP C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H]1CC[NH+](C)C1 ZINC000071191103 176068907 /nfs/dbraw/zinc/06/89/07/176068907.db2.gz LDWXHMSLVPSQPJ-GFCCVEGCSA-N 2 1 278.356 1.561 10 5 CDBEMP C[NH+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071191103 176068909 /nfs/dbraw/zinc/06/89/09/176068909.db2.gz LDWXHMSLVPSQPJ-GFCCVEGCSA-N 2 1 278.356 1.561 10 5 CDBEMP C[NH+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191103 176068910 /nfs/dbraw/zinc/06/89/10/176068910.db2.gz LDWXHMSLVPSQPJ-GFCCVEGCSA-N 2 1 278.356 1.561 10 5 CDBEMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000405281361 940978681 /nfs/dbraw/zinc/97/86/81/940978681.db2.gz VUTJJMKOSHDYMM-STQMWFEESA-N 2 1 261.325 1.954 10 5 CDBEMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000925783715 617702621 /nfs/dbraw/zinc/70/26/21/617702621.db2.gz KREOCKFDDMLPJQ-YVECIDJPSA-N 2 1 293.371 1.473 10 5 CDBEMP [NH3+]CCCCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000846221519 723761955 /nfs/dbraw/zinc/76/19/55/723761955.db2.gz ZQALNEVTSONLIE-UHFFFAOYSA-N 2 1 278.356 1.867 10 5 CDBEMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000723675247 723785013 /nfs/dbraw/zinc/78/50/13/723785013.db2.gz URWHJTRRHOYIJL-SECBINFHSA-N 2 1 255.343 1.827 10 5 CDBEMP C[C@]1(C[NH3+])CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728051 342829772 /nfs/dbraw/zinc/82/97/72/342829772.db2.gz XPEDKKMUFGNOAK-CYBMUJFWSA-N 2 1 265.313 1.471 10 5 CDBEMP C[C@H]([NH3+])[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727659 342829755 /nfs/dbraw/zinc/82/97/55/342829755.db2.gz PKYXWJBDTSYXPX-VHSXEESVSA-N 2 1 265.313 1.470 10 5 CDBEMP O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420375019 285184292 /nfs/dbraw/zinc/18/42/92/285184292.db2.gz OQWPBVOXAPGVHE-LBPRGKRZSA-N 2 1 290.367 1.738 10 5 CDBEMP C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923491797 729384615 /nfs/dbraw/zinc/38/46/15/729384615.db2.gz JSOCEXSXUMJLEL-WDEREUQCSA-N 2 1 264.329 1.407 10 5 CDBEMP C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CNCCO1 ZINC000126779035 342204883 /nfs/dbraw/zinc/20/48/83/342204883.db2.gz ILWRVYYMSJHUHY-ZDUSSCGKSA-N 2 1 279.340 1.058 10 5 CDBEMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CNCCO1 ZINC000126779035 342204884 /nfs/dbraw/zinc/20/48/84/342204884.db2.gz ILWRVYYMSJHUHY-ZDUSSCGKSA-N 2 1 279.340 1.058 10 5 CDBEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC000593727990 342829728 /nfs/dbraw/zinc/82/97/28/342829728.db2.gz UKAFCCCVIHSOED-LERXQTSPSA-N 2 1 291.351 1.860 10 5 CDBEMP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC000593727990 342829729 /nfs/dbraw/zinc/82/97/29/342829729.db2.gz UKAFCCCVIHSOED-LERXQTSPSA-N 2 1 291.351 1.860 10 5 CDBEMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000079462362 374407222 /nfs/dbraw/zinc/40/72/22/374407222.db2.gz MQTVUJXWMIGWQJ-OCCSQVGLSA-N 2 1 295.387 1.453 10 5 CDBEMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414954418 371160197 /nfs/dbraw/zinc/16/01/97/371160197.db2.gz KQQNTZHNXNNPCL-CMPLNLGQSA-N 2 1 279.340 1.691 10 5 CDBEMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964308 626171312 /nfs/dbraw/zinc/17/13/12/626171312.db2.gz IVOJXYHDVRVNMK-YPMHNXCESA-N 2 1 293.367 1.939 10 5 CDBEMP C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923499965 1161545470 /nfs/dbraw/zinc/54/54/70/1161545470.db2.gz PHBFPTKDWNOSOR-CHWSQXEVSA-N 2 1 293.367 1.890 10 5 CDBEMP [NH3+]CC[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000723675248 733559496 /nfs/dbraw/zinc/55/94/96/733559496.db2.gz URWHJTRRHOYIJL-VIFPVBQESA-N 2 1 255.343 1.827 10 5 CDBEMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000863542505 736195746 /nfs/dbraw/zinc/19/57/46/736195746.db2.gz WCMJFDKQPWPURQ-SNVBAGLBSA-N 2 1 294.355 1.336 10 5 CDBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000596424769 343311392 /nfs/dbraw/zinc/31/13/92/343311392.db2.gz LGJBLNQONMFRSV-UHFFFAOYSA-N 2 1 280.372 1.890 10 5 CDBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000596424769 343311393 /nfs/dbraw/zinc/31/13/93/343311393.db2.gz LGJBLNQONMFRSV-UHFFFAOYSA-N 2 1 280.372 1.890 10 5 CDBEMP O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420373729 285184217 /nfs/dbraw/zinc/18/42/17/285184217.db2.gz MYMZGSUKMOZKNS-NSHDSACASA-N 2 1 276.340 1.348 10 5 CDBEMP C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C[NH3+] ZINC000923498765 738947529 /nfs/dbraw/zinc/94/75/29/738947529.db2.gz LDEOMJKGJSQKST-CHWSQXEVSA-N 2 1 293.367 1.890 10 5 CDBEMP C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CNCCO1 ZINC000126779283 342204861 /nfs/dbraw/zinc/20/48/61/342204861.db2.gz ILWRVYYMSJHUHY-CYBMUJFWSA-N 2 1 279.340 1.058 10 5 CDBEMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CNCCO1 ZINC000126779283 342204862 /nfs/dbraw/zinc/20/48/62/342204862.db2.gz ILWRVYYMSJHUHY-CYBMUJFWSA-N 2 1 279.340 1.058 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000600777665 342248603 /nfs/dbraw/zinc/24/86/03/342248603.db2.gz VTESMNMBWYDFAZ-UHFFFAOYSA-N 2 1 281.356 1.571 10 5 CDBEMP C[NH2+]C[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000040600971 174350659 /nfs/dbraw/zinc/35/06/59/174350659.db2.gz CUEGPGWEAYXZPI-GFCCVEGCSA-N 2 1 281.360 1.031 10 5 CDBEMP C[NH2+]C[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000040600971 174350660 /nfs/dbraw/zinc/35/06/60/174350660.db2.gz CUEGPGWEAYXZPI-GFCCVEGCSA-N 2 1 281.360 1.031 10 5 CDBEMP C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000601325929 342554008 /nfs/dbraw/zinc/55/40/08/342554008.db2.gz HZJKZXBMZBHBSL-VXGBXAGGSA-N 2 1 279.340 1.500 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420404683 244206213 /nfs/dbraw/zinc/20/62/13/244206213.db2.gz SHYAXGSVQFCNNT-OLZOCXBDSA-N 2 1 293.371 1.255 10 5 CDBEMP CC(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262104004 149018441 /nfs/dbraw/zinc/01/84/41/149018441.db2.gz JGGMKRHOGBUNSD-WFASDCNBSA-N 2 1 293.367 1.388 10 5 CDBEMP CCO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000405285275 349782333 /nfs/dbraw/zinc/78/23/33/349782333.db2.gz DQQRDXNFDSGEDU-TZMCWYRMSA-N 2 1 279.340 1.390 10 5 CDBEMP CCO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000405285275 349782336 /nfs/dbraw/zinc/78/23/36/349782336.db2.gz DQQRDXNFDSGEDU-TZMCWYRMSA-N 2 1 279.340 1.390 10 5 CDBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccncc1[N+](=O)[O-] ZINC000596363611 343311067 /nfs/dbraw/zinc/31/10/67/343311067.db2.gz SUQBGIWNRBLFAZ-LBPRGKRZSA-N 2 1 295.387 1.096 10 5 CDBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccncc1[N+](=O)[O-] ZINC000596363611 343311068 /nfs/dbraw/zinc/31/10/68/343311068.db2.gz SUQBGIWNRBLFAZ-LBPRGKRZSA-N 2 1 295.387 1.096 10 5 CDBEMP Cc1c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000601325441 342553468 /nfs/dbraw/zinc/55/34/68/342553468.db2.gz CJEBDZOJDOMZQS-GXFFZTMASA-N 2 1 263.341 1.930 10 5 CDBEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000593727989 342829665 /nfs/dbraw/zinc/82/96/65/342829665.db2.gz UKAFCCCVIHSOED-DDTOSNHZSA-N 2 1 291.351 1.860 10 5 CDBEMP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000593727989 342829666 /nfs/dbraw/zinc/82/96/66/342829666.db2.gz UKAFCCCVIHSOED-DDTOSNHZSA-N 2 1 291.351 1.860 10 5 CDBEMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600707123 342243325 /nfs/dbraw/zinc/24/33/25/342243325.db2.gz GNTZROLQAVBGPW-NSHDSACASA-N 2 1 279.340 1.753 10 5 CDBEMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000600712872 342243910 /nfs/dbraw/zinc/24/39/10/342243910.db2.gz BXEUZWHCEIDXIB-RNJOBUHISA-N 2 1 293.371 1.615 10 5 CDBEMP O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000593727472 342829623 /nfs/dbraw/zinc/82/96/23/342829623.db2.gz LNUPHPVWTGMEIF-TXEJJXNPSA-N 2 1 291.351 1.732 10 5 CDBEMP [NH3+]C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000600679076 342242091 /nfs/dbraw/zinc/24/20/91/342242091.db2.gz YZLFLTRPOMTJHV-HYXAFXHYSA-N 2 1 291.351 1.706 10 5 CDBEMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326437 342553801 /nfs/dbraw/zinc/55/38/01/342553801.db2.gz MHCMUPFBMLPFQO-ZYHUDNBSSA-N 2 1 279.340 1.630 10 5 CDBEMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326437 342553802 /nfs/dbraw/zinc/55/38/02/342553802.db2.gz MHCMUPFBMLPFQO-ZYHUDNBSSA-N 2 1 279.340 1.630 10 5 CDBEMP Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+](C)CCC[NH+](C)C ZINC000596425146 343312094 /nfs/dbraw/zinc/31/20/94/343312094.db2.gz MSQFSTVJPCAJMH-UHFFFAOYSA-N 2 1 295.387 1.016 10 5 CDBEMP Cc1cc([N+](=O)[O-])cnc1NCC[N@H+](C)CCC[NH+](C)C ZINC000596425146 343312096 /nfs/dbraw/zinc/31/20/96/343312096.db2.gz MSQFSTVJPCAJMH-UHFFFAOYSA-N 2 1 295.387 1.016 10 5 CDBEMP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000600731477 342245837 /nfs/dbraw/zinc/24/58/37/342245837.db2.gz SIMHHDMICUPRGM-UHFFFAOYSA-N 2 1 267.329 1.263 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000600731477 342245838 /nfs/dbraw/zinc/24/58/38/342245838.db2.gz SIMHHDMICUPRGM-UHFFFAOYSA-N 2 1 267.329 1.263 10 5 CDBEMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000405281355 940979244 /nfs/dbraw/zinc/97/92/44/940979244.db2.gz VUTJJMKOSHDYMM-CHWSQXEVSA-N 2 1 261.325 1.954 10 5 CDBEMP [NH3+]C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000600679074 342241997 /nfs/dbraw/zinc/24/19/97/342241997.db2.gz YZLFLTRPOMTJHV-HWKANZROSA-N 2 1 291.351 1.706 10 5 CDBEMP CCO[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405626248 349796113 /nfs/dbraw/zinc/79/61/13/349796113.db2.gz XMDQFLSDCFQPBD-NJZAAPMLSA-N 2 1 293.367 1.951 10 5 CDBEMP CCO[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405626248 349796118 /nfs/dbraw/zinc/79/61/18/349796118.db2.gz XMDQFLSDCFQPBD-NJZAAPMLSA-N 2 1 293.367 1.951 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420404681 244205003 /nfs/dbraw/zinc/20/50/03/244205003.db2.gz SHYAXGSVQFCNNT-CHWSQXEVSA-N 2 1 293.371 1.255 10 5 CDBEMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414949991 370969969 /nfs/dbraw/zinc/96/99/69/370969969.db2.gz FONQWBAGLDIKSQ-WCQYABFASA-N 2 1 263.341 1.991 10 5 CDBEMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000600712870 342243817 /nfs/dbraw/zinc/24/38/17/342243817.db2.gz BXEUZWHCEIDXIB-LOWDOPEQSA-N 2 1 293.371 1.615 10 5 CDBEMP [NH3+]C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000600677503 342242057 /nfs/dbraw/zinc/24/20/57/342242057.db2.gz FQAXLWYVHMKJLD-UHFFFAOYSA-N 2 1 265.313 1.192 10 5 CDBEMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CNCCO1 ZINC000595892925 343182370 /nfs/dbraw/zinc/18/23/70/343182370.db2.gz SKZPHGFFGGSPCM-HNNXBMFYSA-N 2 1 293.367 1.794 10 5 CDBEMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000079462366 374407141 /nfs/dbraw/zinc/40/71/41/374407141.db2.gz MQTVUJXWMIGWQJ-TZMCWYRMSA-N 2 1 295.387 1.453 10 5 CDBEMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000925783706 617702567 /nfs/dbraw/zinc/70/25/67/617702567.db2.gz KREOCKFDDMLPJQ-XQHKEYJVSA-N 2 1 293.371 1.473 10 5 CDBEMP C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CC[NH3+] ZINC000903496839 626012109 /nfs/dbraw/zinc/01/21/09/626012109.db2.gz GTKNOYRFVCJUBE-CHWSQXEVSA-N 2 1 293.367 1.890 10 5 CDBEMP CCO[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405580279 349795725 /nfs/dbraw/zinc/79/57/25/349795725.db2.gz JYLYQTWSPBBIOR-LALPHHSUSA-N 2 1 293.367 1.951 10 5 CDBEMP CCO[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405580279 349795728 /nfs/dbraw/zinc/79/57/28/349795728.db2.gz JYLYQTWSPBBIOR-LALPHHSUSA-N 2 1 293.367 1.951 10 5 CDBEMP Cc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000600678982 342242020 /nfs/dbraw/zinc/24/20/20/342242020.db2.gz WJXQIVDXRJSVSP-UHFFFAOYSA-N 2 1 279.340 1.501 10 5 CDBEMP Cc1nccn1CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347791127 359648012 /nfs/dbraw/zinc/64/80/12/359648012.db2.gz UKPZQTFNSOXBBC-UHFFFAOYSA-N 2 1 287.323 1.553 10 5 CDBEMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148677 176044817 /nfs/dbraw/zinc/04/48/17/176044817.db2.gz UOTNQUKMDMBUHC-ZDUSSCGKSA-N 2 1 292.383 1.493 10 5 CDBEMP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925600189 833715140 /nfs/dbraw/zinc/71/51/40/833715140.db2.gz GLWBTSSNDFJCFW-KBPBESRZSA-N 2 1 291.351 1.963 10 5 CDBEMP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303810 838835014 /nfs/dbraw/zinc/83/50/14/838835014.db2.gz QNLXGZJNMICZJS-ZDUSSCGKSA-N 2 1 291.351 1.405 10 5 CDBEMP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303810 838835016 /nfs/dbraw/zinc/83/50/16/838835016.db2.gz QNLXGZJNMICZJS-ZDUSSCGKSA-N 2 1 291.351 1.405 10 5 CDBEMP C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923499967 840633524 /nfs/dbraw/zinc/63/35/24/840633524.db2.gz PHBFPTKDWNOSOR-QWHCGFSZSA-N 2 1 293.367 1.890 10 5 CDBEMP C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923498805 842721273 /nfs/dbraw/zinc/72/12/73/842721273.db2.gz LRMRLAKWJLSJSF-STQMWFEESA-N 2 1 293.367 1.890 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000600724604 342244967 /nfs/dbraw/zinc/24/49/67/342244967.db2.gz BVURJRYEXMZXBW-UHFFFAOYSA-N 2 1 281.356 1.571 10 5 CDBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCOCC[NH3+] ZINC000600773503 342248349 /nfs/dbraw/zinc/24/83/49/342248349.db2.gz ITCAWWIUVRRTSV-UHFFFAOYSA-N 2 1 267.329 1.310 10 5 CDBEMP C[N@@H+]1C[C@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000193615618 375879059 /nfs/dbraw/zinc/87/90/59/375879059.db2.gz NIMOUHPOZOLTSB-VNHYZAJKSA-N 2 1 291.351 1.122 10 5 CDBEMP C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2[N+](=O)[O-])C1 ZINC000071147764 176043902 /nfs/dbraw/zinc/04/39/02/176043902.db2.gz NTYPOYNWKTWXSG-LBPRGKRZSA-N 2 1 263.341 1.679 10 5 CDBEMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2[N+](=O)[O-])C1 ZINC000071147764 176043904 /nfs/dbraw/zinc/04/39/04/176043904.db2.gz NTYPOYNWKTWXSG-LBPRGKRZSA-N 2 1 263.341 1.679 10 5 CDBEMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000863542503 844929002 /nfs/dbraw/zinc/92/90/02/844929002.db2.gz WCMJFDKQPWPURQ-JTQLQIEISA-N 2 1 294.355 1.336 10 5 CDBEMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000247029010 280316094 /nfs/dbraw/zinc/31/60/94/280316094.db2.gz MQTVUJXWMIGWQJ-GXTWGEPZSA-N 2 1 295.387 1.453 10 5 CDBEMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000247029010 280316095 /nfs/dbraw/zinc/31/60/95/280316095.db2.gz MQTVUJXWMIGWQJ-GXTWGEPZSA-N 2 1 295.387 1.453 10 5 CDBEMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000405278821 940978044 /nfs/dbraw/zinc/97/80/44/940978044.db2.gz UHLVKFXUGQXZTP-OLZOCXBDSA-N 2 1 261.325 1.954 10 5 CDBEMP O=[N+]([O-])c1ccc(CC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422633073 245143811 /nfs/dbraw/zinc/14/38/11/245143811.db2.gz HXEPXXRFAUGLFD-UHFFFAOYSA-N 2 1 275.352 1.965 10 5 CDBEMP C[NH2+]C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261576116 140353560 /nfs/dbraw/zinc/35/35/60/140353560.db2.gz BVXQFQMLWCKECV-UHFFFAOYSA-N 2 1 263.341 1.821 10 5 CDBEMP C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CC[NH3+] ZINC000903497217 626012148 /nfs/dbraw/zinc/01/21/48/626012148.db2.gz QLRRZANYUSWQAI-CHWSQXEVSA-N 2 1 293.367 1.890 10 5 CDBEMP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303809 705830222 /nfs/dbraw/zinc/83/02/22/705830222.db2.gz QNLXGZJNMICZJS-CYBMUJFWSA-N 2 1 291.351 1.405 10 5 CDBEMP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303809 705830233 /nfs/dbraw/zinc/83/02/33/705830233.db2.gz QNLXGZJNMICZJS-CYBMUJFWSA-N 2 1 291.351 1.405 10 5 CDBEMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000872153733 710359248 /nfs/dbraw/zinc/35/92/48/710359248.db2.gz OMKDJYBLVXFIEB-SWLSCSKDSA-N 2 1 291.351 1.515 10 5 CDBEMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000872153733 710359251 /nfs/dbraw/zinc/35/92/51/710359251.db2.gz OMKDJYBLVXFIEB-SWLSCSKDSA-N 2 1 291.351 1.515 10 5 CDBEMP Cc1cc(NCC[NH+]2CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC000721981084 710792587 /nfs/dbraw/zinc/79/25/87/710792587.db2.gz OELIEWUOQZXZJO-UHFFFAOYSA-N 2 1 279.344 1.133 10 5 CDBEMP [NH3+]C1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000721965283 710832291 /nfs/dbraw/zinc/83/22/91/710832291.db2.gz ZGVDOFJGZXVMMY-UHFFFAOYSA-N 2 1 264.329 1.430 10 5 CDBEMP C[C@@H]([NH3+])[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727660 342829822 /nfs/dbraw/zinc/82/98/22/342829822.db2.gz PKYXWJBDTSYXPX-ZJUUUORDSA-N 2 1 265.313 1.470 10 5 CDBEMP CC(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262103992 519836262 /nfs/dbraw/zinc/83/62/62/519836262.db2.gz JGGMKRHOGBUNSD-DOMZBBRYSA-N 2 1 293.367 1.388 10 5 CDBEMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000405281357 940978702 /nfs/dbraw/zinc/97/87/02/940978702.db2.gz VUTJJMKOSHDYMM-OLZOCXBDSA-N 2 1 261.325 1.954 10 5 CDBEMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000601327646 342554304 /nfs/dbraw/zinc/55/43/04/342554304.db2.gz YECYXJAFJBYLML-ZYHUDNBSSA-N 2 1 279.340 1.630 10 5 CDBEMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000601327646 342554305 /nfs/dbraw/zinc/55/43/05/342554305.db2.gz YECYXJAFJBYLML-ZYHUDNBSSA-N 2 1 279.340 1.630 10 5 CDBEMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000600712873 342243822 /nfs/dbraw/zinc/24/38/22/342243822.db2.gz BXEUZWHCEIDXIB-UMSGYPCISA-N 2 1 293.371 1.615 10 5 CDBEMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2ccccc2[N+](=O)[O-])C1 ZINC000062727105 527212875 /nfs/dbraw/zinc/21/28/75/527212875.db2.gz VSVLWRMHGJVHMP-LBPRGKRZSA-N 2 1 263.341 1.808 10 5 CDBEMP C[NH2+]CCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000600726030 342245209 /nfs/dbraw/zinc/24/52/09/342245209.db2.gz GUWGMBZYOQFUIL-UHFFFAOYSA-N 2 1 285.319 1.402 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000600726030 342245210 /nfs/dbraw/zinc/24/52/10/342245210.db2.gz GUWGMBZYOQFUIL-UHFFFAOYSA-N 2 1 285.319 1.402 10 5 CDBEMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000925783703 617702704 /nfs/dbraw/zinc/70/27/04/617702704.db2.gz KREOCKFDDMLPJQ-LPWJVIDDSA-N 2 1 293.371 1.473 10 5 CDBEMP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903483162 626006863 /nfs/dbraw/zinc/00/68/63/626006863.db2.gz FHRKNAJYFKPRSD-GFCCVEGCSA-N 2 1 279.344 1.056 10 5 CDBEMP C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C[NH3+] ZINC000923498768 678290106 /nfs/dbraw/zinc/29/01/06/678290106.db2.gz LDEOMJKGJSQKST-STQMWFEESA-N 2 1 293.367 1.890 10 5 CDBEMP C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C[NH3+] ZINC000923498767 682449435 /nfs/dbraw/zinc/44/94/35/682449435.db2.gz LDEOMJKGJSQKST-QWHCGFSZSA-N 2 1 293.367 1.890 10 5 CDBEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC000593727992 342829790 /nfs/dbraw/zinc/82/97/90/342829790.db2.gz UKAFCCCVIHSOED-ZLKJLUDKSA-N 2 1 291.351 1.860 10 5 CDBEMP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC000593727992 342829791 /nfs/dbraw/zinc/82/97/91/342829791.db2.gz UKAFCCCVIHSOED-ZLKJLUDKSA-N 2 1 291.351 1.860 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420404687 244206799 /nfs/dbraw/zinc/20/67/99/244206799.db2.gz SHYAXGSVQFCNNT-STQMWFEESA-N 2 1 293.371 1.255 10 5 CDBEMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414959784 371172213 /nfs/dbraw/zinc/17/22/13/371172213.db2.gz QIQSNNLNVMYGFH-SMDDNHRTSA-N 2 1 263.341 1.991 10 5 CDBEMP C[C@H]1C[C@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000176261982 390916770 /nfs/dbraw/zinc/91/67/70/390916770.db2.gz PKOFQPGZVLNPTJ-NWDGAFQWSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@H]1C[C@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000176261982 390916772 /nfs/dbraw/zinc/91/67/72/390916772.db2.gz PKOFQPGZVLNPTJ-NWDGAFQWSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1C ZINC000176261982 390916773 /nfs/dbraw/zinc/91/67/73/390916773.db2.gz PKOFQPGZVLNPTJ-NWDGAFQWSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@H]1C[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC[NH+]1C ZINC000176261982 390916775 /nfs/dbraw/zinc/91/67/75/390916775.db2.gz PKOFQPGZVLNPTJ-NWDGAFQWSA-N 2 1 281.360 1.206 10 5 CDBEMP C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000923411620 723701926 /nfs/dbraw/zinc/70/19/26/723701926.db2.gz OBNIEBFWRCKSNX-QKCSRTOESA-N 2 1 279.340 1.155 10 5 CDBEMP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592984564 342751391 /nfs/dbraw/zinc/75/13/91/342751391.db2.gz PRXGRDPVOOTUHP-JSGCOSHPSA-N 2 1 293.371 1.255 10 5 CDBEMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592984564 342751393 /nfs/dbraw/zinc/75/13/93/342751393.db2.gz PRXGRDPVOOTUHP-JSGCOSHPSA-N 2 1 293.371 1.255 10 5 CDBEMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000600712871 342243842 /nfs/dbraw/zinc/24/38/42/342243842.db2.gz BXEUZWHCEIDXIB-QNWHQSFQSA-N 2 1 293.371 1.615 10 5 CDBEMP C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000601326100 342553620 /nfs/dbraw/zinc/55/36/20/342553620.db2.gz JPPAYUFMXRNECT-AAEUAGOBSA-N 2 1 263.341 1.664 10 5 CDBEMP C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000601326101 342553626 /nfs/dbraw/zinc/55/36/26/342553626.db2.gz JPPAYUFMXRNECT-DGCLKSJQSA-N 2 1 263.341 1.664 10 5 CDBEMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOCC[NH3+] ZINC000592476463 342699138 /nfs/dbraw/zinc/69/91/38/342699138.db2.gz GAPFPIDTIVRYKD-NSHDSACASA-N 2 1 267.329 1.563 10 5 CDBEMP C[N@H+]1CC[C@H](C[NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000062726321 523980970 /nfs/dbraw/zinc/98/09/70/523980970.db2.gz WJQLZNOEHDADMQ-GFCCVEGCSA-N 2 1 263.341 1.679 10 5 CDBEMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000600711427 342243810 /nfs/dbraw/zinc/24/38/10/342243810.db2.gz UDQFDUGZOZYQBQ-NSHDSACASA-N 2 1 279.340 1.753 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000600772482 342248985 /nfs/dbraw/zinc/24/89/85/342248985.db2.gz CXLRFFXPEKQECW-FNORWQNLSA-N 2 1 293.367 1.776 10 5 CDBEMP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000600677625 342242069 /nfs/dbraw/zinc/24/20/69/342242069.db2.gz HYTQMAPJCJPCBQ-UHFFFAOYSA-N 2 1 265.313 1.192 10 5 CDBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000853799995 736437484 /nfs/dbraw/zinc/43/74/84/736437484.db2.gz WRIUPLKMCQMUMP-UHFFFAOYSA-N 2 1 295.387 1.472 10 5 CDBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000853799995 736437486 /nfs/dbraw/zinc/43/74/86/736437486.db2.gz WRIUPLKMCQMUMP-UHFFFAOYSA-N 2 1 295.387 1.472 10 5 CDBEMP C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923499968 741827685 /nfs/dbraw/zinc/82/76/85/741827685.db2.gz PHBFPTKDWNOSOR-STQMWFEESA-N 2 1 293.367 1.890 10 5 CDBEMP Cc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCC([NH3+])CC1 ZINC000721982071 741901236 /nfs/dbraw/zinc/90/12/36/741901236.db2.gz SJFAEYFGDFKCAP-UHFFFAOYSA-N 2 1 278.356 1.738 10 5 CDBEMP C[C@H]([NH3+])[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727658 342829590 /nfs/dbraw/zinc/82/95/90/342829590.db2.gz PKYXWJBDTSYXPX-UWVGGRQHSA-N 2 1 265.313 1.470 10 5 CDBEMP C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923491589 746166530 /nfs/dbraw/zinc/16/65/30/746166530.db2.gz JSOCEXSXUMJLEL-MNOVXSKESA-N 2 1 264.329 1.407 10 5 CDBEMP CC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000593727247 342829579 /nfs/dbraw/zinc/82/95/79/342829579.db2.gz HATYEPJPHTWOSV-GWCFXTLKSA-N 2 1 279.340 1.860 10 5 CDBEMP C[N@H+]1C[C@@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193600374 140146808 /nfs/dbraw/zinc/14/68/08/140146808.db2.gz ZDSLYMKYPDBIKW-BETUJISGSA-N 2 1 291.351 1.467 10 5 CDBEMP C[N@@H+]1C[C@@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193600374 140146809 /nfs/dbraw/zinc/14/68/09/140146809.db2.gz ZDSLYMKYPDBIKW-BETUJISGSA-N 2 1 291.351 1.467 10 5 CDBEMP C[NH+]1C[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193600374 140146810 /nfs/dbraw/zinc/14/68/10/140146810.db2.gz ZDSLYMKYPDBIKW-BETUJISGSA-N 2 1 291.351 1.467 10 5 CDBEMP C[NH+]1C[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193600374 140146811 /nfs/dbraw/zinc/14/68/11/140146811.db2.gz ZDSLYMKYPDBIKW-BETUJISGSA-N 2 1 291.351 1.467 10 5 CDBEMP O=[N+]([O-])c1ccn(C2CC[NH+](CCC[NH2+]C3CC3)CC2)n1 ZINC000923373377 618323651 /nfs/dbraw/zinc/32/36/51/618323651.db2.gz NOQCPJJEWYCAEM-UHFFFAOYSA-N 2 1 293.371 1.570 10 5 CDBEMP C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000601327742 342554352 /nfs/dbraw/zinc/55/43/52/342554352.db2.gz ZRRYYRICLMQNCY-VXGBXAGGSA-N 2 1 279.340 1.500 10 5 CDBEMP CC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000593727250 342829675 /nfs/dbraw/zinc/82/96/75/342829675.db2.gz HATYEPJPHTWOSV-ZWNOBZJWSA-N 2 1 279.340 1.860 10 5 CDBEMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600707121 342243279 /nfs/dbraw/zinc/24/32/79/342243279.db2.gz GNTZROLQAVBGPW-LLVKDONJSA-N 2 1 279.340 1.753 10 5 CDBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000596423729 343311457 /nfs/dbraw/zinc/31/14/57/343311457.db2.gz AVKUJIXVXURIAS-UHFFFAOYSA-N 2 1 281.360 1.285 10 5 CDBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000596423729 343311458 /nfs/dbraw/zinc/31/14/58/343311458.db2.gz AVKUJIXVXURIAS-UHFFFAOYSA-N 2 1 281.360 1.285 10 5 CDBEMP C[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@H]1CC[NH+](C)C1 ZINC000071191102 176068105 /nfs/dbraw/zinc/06/81/05/176068105.db2.gz LDWXHMSLVPSQPJ-LBPRGKRZSA-N 2 1 278.356 1.561 10 5 CDBEMP C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@H]1CC[NH+](C)C1 ZINC000071191102 176068107 /nfs/dbraw/zinc/06/81/07/176068107.db2.gz LDWXHMSLVPSQPJ-LBPRGKRZSA-N 2 1 278.356 1.561 10 5 CDBEMP C[NH+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@H]1CC[N@H+](C)C1 ZINC000071191102 176068108 /nfs/dbraw/zinc/06/81/08/176068108.db2.gz LDWXHMSLVPSQPJ-LBPRGKRZSA-N 2 1 278.356 1.561 10 5 CDBEMP C[NH+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071191102 176068109 /nfs/dbraw/zinc/06/81/09/176068109.db2.gz LDWXHMSLVPSQPJ-LBPRGKRZSA-N 2 1 278.356 1.561 10 5 CDBEMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817978233 769828794 /nfs/dbraw/zinc/82/87/94/769828794.db2.gz YTVBMEOYPOTARS-CIUDSAMLSA-N 2 1 252.318 1.563 10 5 CDBEMP C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923499966 779901174 /nfs/dbraw/zinc/90/11/74/779901174.db2.gz PHBFPTKDWNOSOR-OLZOCXBDSA-N 2 1 293.367 1.890 10 5 CDBEMP Cc1cncc([N+](=O)[O-])c1NCC[N@@H+](C)CCC[NH+](C)C ZINC001333737757 958559290 /nfs/dbraw/zinc/55/92/90/958559290.db2.gz YBYMZFLOXRMBKH-UHFFFAOYSA-N 2 1 295.387 1.016 10 5 CDBEMP Cc1cncc([N+](=O)[O-])c1NCC[N@H+](C)CCC[NH+](C)C ZINC001333737757 958559298 /nfs/dbraw/zinc/55/92/98/958559298.db2.gz YBYMZFLOXRMBKH-UHFFFAOYSA-N 2 1 295.387 1.016 10 5 CDBEMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414954420 371160492 /nfs/dbraw/zinc/16/04/92/371160492.db2.gz KQQNTZHNXNNPCL-PWSUYJOCSA-N 2 1 279.340 1.691 10 5 CDBEMP Cc1c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000601325442 342553490 /nfs/dbraw/zinc/55/34/90/342553490.db2.gz CJEBDZOJDOMZQS-MFKMUULPSA-N 2 1 263.341 1.930 10 5 CDBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c([N+](=O)[O-])ncn1C ZINC000596365213 343305504 /nfs/dbraw/zinc/30/55/04/343305504.db2.gz WSQMJKFIIZMHJP-NSHDSACASA-N 2 1 298.391 1.012 10 5 CDBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c([N+](=O)[O-])ncn1C ZINC000596365213 343305505 /nfs/dbraw/zinc/30/55/05/343305505.db2.gz WSQMJKFIIZMHJP-NSHDSACASA-N 2 1 298.391 1.012 10 5 CDBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncccc1[N+](=O)[O-] ZINC000596359373 343310123 /nfs/dbraw/zinc/31/01/23/343310123.db2.gz BJZZQOAUNIJYGE-LBPRGKRZSA-N 2 1 295.387 1.674 10 5 CDBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncccc1[N+](=O)[O-] ZINC000596359373 343310125 /nfs/dbraw/zinc/31/01/25/343310125.db2.gz BJZZQOAUNIJYGE-LBPRGKRZSA-N 2 1 295.387 1.674 10 5 CDBEMP Cc1ccc(CNC[C@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000872230951 1165400266 /nfs/dbraw/zinc/40/02/66/1165400266.db2.gz AUHHREHHJBGSEF-AWEZNQCLSA-N 2 1 293.367 1.448 10 5 CDBEMP C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923494201 923883444 /nfs/dbraw/zinc/88/34/44/923883444.db2.gz WHPGJYRGLWZMGC-OSAQELSMSA-N 2 1 293.367 1.545 10 5 CDBEMP Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000601325862 342553994 /nfs/dbraw/zinc/55/39/94/342553994.db2.gz GMJZEHCDMZTRKV-WCQYABFASA-N 2 1 263.341 1.930 10 5 CDBEMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000601325862 342553995 /nfs/dbraw/zinc/55/39/95/342553995.db2.gz GMJZEHCDMZTRKV-WCQYABFASA-N 2 1 263.341 1.930 10 5 CDBEMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817978234 786785108 /nfs/dbraw/zinc/78/51/08/786785108.db2.gz YTVBMEOYPOTARS-HLTSFMKQSA-N 2 1 252.318 1.563 10 5 CDBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000596363484 343311138 /nfs/dbraw/zinc/31/11/38/343311138.db2.gz HILVVTGIMDYFGN-NSHDSACASA-N 2 1 296.375 1.069 10 5 CDBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000596363484 343311139 /nfs/dbraw/zinc/31/11/39/343311139.db2.gz HILVVTGIMDYFGN-NSHDSACASA-N 2 1 296.375 1.069 10 5 CDBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000596424759 343311510 /nfs/dbraw/zinc/31/15/10/343311510.db2.gz LGGCUONTFSLYIH-UHFFFAOYSA-N 2 1 280.372 1.890 10 5 CDBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000596424759 343311513 /nfs/dbraw/zinc/31/15/13/343311513.db2.gz LGGCUONTFSLYIH-UHFFFAOYSA-N 2 1 280.372 1.890 10 5 CDBEMP C[N@H+]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000598968168 343931272 /nfs/dbraw/zinc/93/12/72/343931272.db2.gz UPCQUFSXUWETRF-LLVKDONJSA-N 2 1 281.360 1.254 10 5 CDBEMP C[N@@H+]1C[C@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000193615605 375878318 /nfs/dbraw/zinc/87/83/18/375878318.db2.gz NIMOUHPOZOLTSB-GUTXKFCHSA-N 2 1 291.351 1.122 10 5 CDBEMP CC(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262103996 149018621 /nfs/dbraw/zinc/01/86/21/149018621.db2.gz JGGMKRHOGBUNSD-IUODEOHRSA-N 2 1 293.367 1.388 10 5 CDBEMP COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000601327643 342554278 /nfs/dbraw/zinc/55/42/78/342554278.db2.gz YECYXJAFJBYLML-JQWIXIFHSA-N 2 1 279.340 1.630 10 5 CDBEMP COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000601327643 342554279 /nfs/dbraw/zinc/55/42/79/342554279.db2.gz YECYXJAFJBYLML-JQWIXIFHSA-N 2 1 279.340 1.630 10 5 CDBEMP O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420375017 285184230 /nfs/dbraw/zinc/18/42/30/285184230.db2.gz OQWPBVOXAPGVHE-GFCCVEGCSA-N 2 1 290.367 1.738 10 5 CDBEMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000703585153 811300565 /nfs/dbraw/zinc/30/05/65/811300565.db2.gz YJNVQOQDPPLCGU-DZGCQCFKSA-N 2 1 275.352 1.679 10 5 CDBEMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000703585153 811300576 /nfs/dbraw/zinc/30/05/76/811300576.db2.gz YJNVQOQDPPLCGU-DZGCQCFKSA-N 2 1 275.352 1.679 10 5 CDBEMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000405281359 940979301 /nfs/dbraw/zinc/97/93/01/940979301.db2.gz VUTJJMKOSHDYMM-QWHCGFSZSA-N 2 1 261.325 1.954 10 5 CDBEMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326434 342553917 /nfs/dbraw/zinc/55/39/17/342553917.db2.gz MHCMUPFBMLPFQO-CMPLNLGQSA-N 2 1 279.340 1.630 10 5 CDBEMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326434 342553918 /nfs/dbraw/zinc/55/39/18/342553918.db2.gz MHCMUPFBMLPFQO-CMPLNLGQSA-N 2 1 279.340 1.630 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000592478983 342699242 /nfs/dbraw/zinc/69/92/42/342699242.db2.gz PEHQUQZKCHWZMY-OLZOCXBDSA-N 2 1 293.371 1.255 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000592478983 342699243 /nfs/dbraw/zinc/69/92/43/342699243.db2.gz PEHQUQZKCHWZMY-OLZOCXBDSA-N 2 1 293.371 1.255 10 5 CDBEMP CC(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262104000 149019160 /nfs/dbraw/zinc/01/91/60/149019160.db2.gz JGGMKRHOGBUNSD-SWLSCSKDSA-N 2 1 293.367 1.388 10 5 CDBEMP Cc1[nH+]ccn1CCOc1ccc(C[NH3+])cc1[N+](=O)[O-] ZINC000049329375 527433510 /nfs/dbraw/zinc/43/35/10/527433510.db2.gz QVVDALYWQRFUBP-UHFFFAOYSA-N 2 1 276.296 1.637 10 5 CDBEMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000925783699 617703204 /nfs/dbraw/zinc/70/32/04/617703204.db2.gz KREOCKFDDMLPJQ-FDYHWXHSSA-N 2 1 293.371 1.473 10 5 CDBEMP CC[NH+]1CC[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000175731023 261242839 /nfs/dbraw/zinc/24/28/39/261242839.db2.gz VZOJTDUZIJWNBQ-OLZOCXBDSA-N 2 1 295.387 1.453 10 5 CDBEMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000175731023 261242840 /nfs/dbraw/zinc/24/28/40/261242840.db2.gz VZOJTDUZIJWNBQ-OLZOCXBDSA-N 2 1 295.387 1.453 10 5 CDBEMP C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923494199 827294867 /nfs/dbraw/zinc/29/48/67/827294867.db2.gz WHPGJYRGLWZMGC-KYOSRNDESA-N 2 1 293.367 1.545 10 5 CDBEMP C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148985 176044611 /nfs/dbraw/zinc/04/46/11/176044611.db2.gz DFGCINBYMAUTPB-CYBMUJFWSA-N 2 1 292.383 1.493 10 5 CDBEMP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925600193 832724723 /nfs/dbraw/zinc/72/47/23/832724723.db2.gz GLWBTSSNDFJCFW-UONOGXRCSA-N 2 1 291.351 1.963 10 5 CDBEMP C[N@@H+](CCCCCC[NH3+])CCn1ccc([N+](=O)[O-])n1 ZINC000872155059 835595107 /nfs/dbraw/zinc/59/51/07/835595107.db2.gz BBUWYWWBPWZSKB-UHFFFAOYSA-N 2 1 269.349 1.242 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000592478981 342699437 /nfs/dbraw/zinc/69/94/37/342699437.db2.gz PEHQUQZKCHWZMY-CHWSQXEVSA-N 2 1 293.371 1.255 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000592478981 342699438 /nfs/dbraw/zinc/69/94/38/342699438.db2.gz PEHQUQZKCHWZMY-CHWSQXEVSA-N 2 1 293.371 1.255 10 5 CDBEMP C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000817978236 837302737 /nfs/dbraw/zinc/30/27/37/837302737.db2.gz YTVBMEOYPOTARS-YIZRAAEISA-N 2 1 252.318 1.563 10 5 CDBEMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1c[nH+]cn1C ZINC000598917680 343920547 /nfs/dbraw/zinc/92/05/47/343920547.db2.gz GIEHSTWAEZLYRZ-UHFFFAOYSA-N 2 1 274.324 1.969 10 5 CDBEMP O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)n1 ZINC000903483110 626006552 /nfs/dbraw/zinc/00/65/52/626006552.db2.gz DLUMSPAMZIEZSM-LLVKDONJSA-N 2 1 279.344 1.056 10 5 CDBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cccnc1[N+](=O)[O-] ZINC000596362864 343310513 /nfs/dbraw/zinc/31/05/13/343310513.db2.gz DKFCBPAHFNHPLH-LBPRGKRZSA-N 2 1 295.387 1.674 10 5 CDBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cccnc1[N+](=O)[O-] ZINC000596362864 343310515 /nfs/dbraw/zinc/31/05/15/343310515.db2.gz DKFCBPAHFNHPLH-LBPRGKRZSA-N 2 1 295.387 1.674 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000600725518 342245159 /nfs/dbraw/zinc/24/51/59/342245159.db2.gz FJZWZTKQILVWAR-LBPRGKRZSA-N 2 1 281.356 1.824 10 5 CDBEMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000600729392 342245669 /nfs/dbraw/zinc/24/56/69/342245669.db2.gz FUUZKYYZTLLSMR-GFCCVEGCSA-N 2 1 281.356 1.824 10 5 CDBEMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326436 342553948 /nfs/dbraw/zinc/55/39/48/342553948.db2.gz MHCMUPFBMLPFQO-PWSUYJOCSA-N 2 1 279.340 1.630 10 5 CDBEMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326436 342553949 /nfs/dbraw/zinc/55/39/49/342553949.db2.gz MHCMUPFBMLPFQO-PWSUYJOCSA-N 2 1 279.340 1.630 10 5 CDBEMP C[C@@H]1C[C@H](C[NH3+])CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728042 342829542 /nfs/dbraw/zinc/82/95/42/342829542.db2.gz XICCUVYIHMVTCA-NXEZZACHSA-N 2 1 265.313 1.470 10 5 CDBEMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747159 174392787 /nfs/dbraw/zinc/39/27/87/174392787.db2.gz FLGJGNGGHKWBCL-FUNVUKJBSA-N 2 1 293.371 1.315 10 5 CDBEMP C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923498800 1161545745 /nfs/dbraw/zinc/54/57/45/1161545745.db2.gz LRMRLAKWJLSJSF-OLZOCXBDSA-N 2 1 293.367 1.890 10 5 CDBEMP