smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N[C@@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122228227 393966030 /nfs/dbraw/zinc/96/60/30/393966030.db2.gz TUQQZQLMFAUXPY-LLVKDONJSA-N 2 0 286.335 2.615 10 5 CFBERP C[N+](C)(C)CCC[n+]1ccc(Cc2ccccc2)cc1 ZINC000005764621 170138364 /nfs/dbraw/zinc/13/83/64/170138364.db2.gz HZMAQRLIBDKQQU-UHFFFAOYSA-N 2 0 270.420 2.661 10 5 CFBERP C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312231912 382513047 /nfs/dbraw/zinc/51/30/47/382513047.db2.gz ANNCBFSRUPTNSC-LALPHHSUSA-N 2 0 277.368 2.573 10 5 CFBERP Cc1cc(N[C@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122228462 274719959 /nfs/dbraw/zinc/71/99/59/274719959.db2.gz TUQQZQLMFAUXPY-NSHDSACASA-N 2 0 286.335 2.615 10 5 CFBERP CC[N+](C)(C)CCc1ccc([N+](C)(C)CC)cc1 ZINC000001998804 717091278 /nfs/dbraw/zinc/09/12/78/717091278.db2.gz AMBRLTGGADVONC-UHFFFAOYSA-N 2 0 250.430 2.912 10 5 CFBERP C[NH+]1CCC(CCCC2CC[N+](C)(C)CC2)CC1 ZINC000207400015 717160839 /nfs/dbraw/zinc/16/08/39/717160839.db2.gz VZCNOTLANMZUIA-UHFFFAOYSA-N 2 0 253.454 2.985 10 5 CFBERP Cc1cc(NC[C@@H]([NH3+])C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122235361 232198877 /nfs/dbraw/zinc/19/88/77/232198877.db2.gz VMGIJQMMBAHQNM-CYBMUJFWSA-N 2 0 286.335 2.601 10 5 CFBERP CC[N@H+](CCCCCC[NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000138558518 347916529 /nfs/dbraw/zinc/91/65/29/347916529.db2.gz HLAVRMJKPIHCQW-UHFFFAOYSA-N 2 0 279.384 2.936 10 5 CFBERP C[C@H](c1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749403 174393983 /nfs/dbraw/zinc/39/39/83/174393983.db2.gz LXWZMUIAQXIMPA-ODWCKFRGSA-N 2 0 275.352 2.610 10 5 CFBERP Cc1ccc([C@@H](C)[NH+]2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000044511827 175187818 /nfs/dbraw/zinc/18/78/18/175187818.db2.gz IQVQUKUTMUJAPU-GFCCVEGCSA-N 2 0 277.368 2.635 10 5 CFBERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000052205814 523793483 /nfs/dbraw/zinc/79/34/83/523793483.db2.gz YIXQPGPFJWWETI-OAHLLOKOSA-N 2 0 291.395 2.601 10 5 CFBERP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000051693471 373405280 /nfs/dbraw/zinc/40/52/80/373405280.db2.gz QYHVSXIEWWPXET-UNXYVOJBSA-N 2 0 263.341 2.515 10 5 CFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312239589 382512866 /nfs/dbraw/zinc/51/28/66/382512866.db2.gz CELLOWRWASXVJR-LALPHHSUSA-N 2 0 277.368 2.573 10 5 CFBERP C[C@@H](c1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749402 174393884 /nfs/dbraw/zinc/39/38/84/174393884.db2.gz LXWZMUIAQXIMPA-WODVXLOZSA-N 2 0 275.352 2.610 10 5 CFBERP C1CC[N+]2(CC1)CCC[N+]1(CCCCCC1)CC2 ZINC000033867785 717122510 /nfs/dbraw/zinc/12/25/10/717122510.db2.gz NTFDVBFZIAXITQ-UHFFFAOYSA-N 2 0 252.446 2.782 10 5 CFBERP Cc1cc(NC[C@@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122224255 187022225 /nfs/dbraw/zinc/02/22/25/187022225.db2.gz XCBXPTFHPOQBHU-NSHDSACASA-N 2 0 286.335 2.615 10 5 CFBERP Cc1cc(NCC[C@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122226580 393965849 /nfs/dbraw/zinc/96/58/49/393965849.db2.gz KQKFYXOEHOAMAW-VIFPVBQESA-N 2 0 274.324 2.601 10 5 CFBERP Cc1ccc([C@H](C)[NH+]2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000044511829 175187890 /nfs/dbraw/zinc/18/78/90/175187890.db2.gz IQVQUKUTMUJAPU-LBPRGKRZSA-N 2 0 277.368 2.635 10 5 CFBERP C[N+](C)(C)C1C/C=C/CC([N+](C)(C)C)C/C=C/C1 ZINC000033368693 717121102 /nfs/dbraw/zinc/12/11/02/717121102.db2.gz PFUNJILHKCCBIC-FIFLTTCUSA-N 2 0 252.446 2.822 10 5 CFBERP CCCC[N+]1(C)CC[N+](Cc2ccccc2)(OC)CC1 ZINC000033865184 717122504 /nfs/dbraw/zinc/12/25/04/717122504.db2.gz DLODGSXHQHEQOV-UHFFFAOYSA-N 2 0 278.440 2.825 10 5 CFBERP CCN(Cc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747543 174392482 /nfs/dbraw/zinc/39/24/82/174392482.db2.gz BSFFOTBTNFMXDY-MZBDJJRSSA-N 2 0 289.379 2.700 10 5 CFBERP C[C@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749419 174393648 /nfs/dbraw/zinc/39/36/48/174393648.db2.gz JXQJCFIBNRLPDT-WAEYWBMLSA-N 2 0 275.352 2.610 10 5 CFBERP CC[N+](C)(CC)CC[N+]1(C)C[C@H]2CCCC[C@@H]2C1 ZINC000001995688 717090678 /nfs/dbraw/zinc/09/06/78/717090678.db2.gz CQAZMOOTRRNOQN-HZPDHXFCSA-N 2 0 254.462 2.739 10 5 CFBERP C[N+](C)(C)C12CC=CCC1([N+](C)(C)C)CC=CC2 ZINC000000158387 371545003 /nfs/dbraw/zinc/54/50/03/371545003.db2.gz MPNAWIGFGLXMLF-UHFFFAOYSA-N 2 0 250.430 2.576 10 5 CFBERP CCN(Cc1csc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747419 174392764 /nfs/dbraw/zinc/39/27/64/174392764.db2.gz CIVAKRCWKUJZBF-FUNVUKJBSA-N 2 0 295.408 2.761 10 5 CFBERP [NH3+]C1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000051692854 618048491 /nfs/dbraw/zinc/04/84/91/618048491.db2.gz ZULHUXCEZGIMRW-UHFFFAOYSA-N 2 0 283.759 2.608 10 5 CFBERP C[N+]1(C)CCC([C@H]2c3ccccc3CC[N+]2(C)C)CC1 ZINC000008535776 170339398 /nfs/dbraw/zinc/33/93/98/170339398.db2.gz ACBYSHQVFDFORU-SFHVURJKSA-N 2 0 274.452 2.847 10 5 CFBERP C[C@H](c1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749206 174393968 /nfs/dbraw/zinc/39/39/68/174393968.db2.gz SEHIHCKWLLFRLR-NDNKKMJESA-N 2 0 275.352 2.610 10 5 CFBERP CCCC[N+](CC)(CC)CCOCC[N+](C)(C)CC ZINC000001997946 717090519 /nfs/dbraw/zinc/09/05/19/717090519.db2.gz NVRVAVKWSVTVKG-UHFFFAOYSA-N 2 0 274.493 2.756 10 5 CFBERP CC[N+](C)(CC)CC[N+]1(C)C[C@@H]2CCCC[C@@H]2C1 ZINC000001995687 717090855 /nfs/dbraw/zinc/09/08/55/717090855.db2.gz CQAZMOOTRRNOQN-BYICEURKSA-N 2 0 254.462 2.739 10 5 CFBERP CC[N+](C)(C)CCSCC[N+](CC)(CC)CC ZINC000001999065 717092077 /nfs/dbraw/zinc/09/20/77/717092077.db2.gz SUYKBVJGWYSWBF-UHFFFAOYSA-N 2 0 262.507 2.692 10 5 CFBERP CC[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511598 175187822 /nfs/dbraw/zinc/18/78/22/175187822.db2.gz LHNXCTNDLPEMMR-OAHLLOKOSA-N 2 0 277.368 2.717 10 5 CFBERP CC[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511597 175187982 /nfs/dbraw/zinc/18/79/82/175187982.db2.gz LHNXCTNDLPEMMR-HNNXBMFYSA-N 2 0 277.368 2.717 10 5 CFBERP Cc1cc(NCC[NH2+]C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122225683 347815636 /nfs/dbraw/zinc/81/56/36/347815636.db2.gz WZFMBXAZPSENEQ-UHFFFAOYSA-N 2 0 286.335 2.615 10 5 CFBERP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000044517240 175190516 /nfs/dbraw/zinc/19/05/16/175190516.db2.gz ZPSHUDQHYLDEPF-ZDUSSCGKSA-N 2 0 291.395 2.977 10 5 CFBERP CC[N+](C)(CC)CCSCC[N+](C)(CC)CC ZINC000001844830 717090003 /nfs/dbraw/zinc/09/00/03/717090003.db2.gz LWHVNHUTBOZLIM-UHFFFAOYSA-N 2 0 262.507 2.692 10 5 CFBERP C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749418 174394021 /nfs/dbraw/zinc/39/40/21/174394021.db2.gz JXQJCFIBNRLPDT-UFBLJUAHSA-N 2 0 275.352 2.610 10 5 CFBERP C[N+]1(C/C=C\CCC[N+]2(C)CCCC2)CCCC1 ZINC001088729484 717196311 /nfs/dbraw/zinc/19/63/11/717196311.db2.gz ABXUXUYVWDXPKN-HYXAFXHYSA-N 2 0 252.446 2.804 10 5 CFBERP Cc1cc(NC[C@@H]([NH3+])C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122230454 187022127 /nfs/dbraw/zinc/02/21/27/187022127.db2.gz KRCOFHIMPWHRQC-CYBMUJFWSA-N 2 0 288.351 2.847 10 5 CFBERP Cc1cc(NCC[C@@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122226378 393966136 /nfs/dbraw/zinc/96/61/36/393966136.db2.gz KQKFYXOEHOAMAW-SECBINFHSA-N 2 0 274.324 2.601 10 5 CFBERP C[C@@H](c1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749204 174393996 /nfs/dbraw/zinc/39/39/96/174393996.db2.gz SEHIHCKWLLFRLR-HLVVYCRESA-N 2 0 275.352 2.610 10 5 CFBERP CC[C@@H]([NH3+])CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000122229929 273721467 /nfs/dbraw/zinc/72/14/67/273721467.db2.gz QLLHQAJSGUAZNA-SNVBAGLBSA-N 2 0 274.324 2.601 10 5 CFBERP CC1(C)C=C(CC[N+]2(C)CCOCC2)CC(C)(C)[N+]1(C)C ZINC000003622103 717096205 /nfs/dbraw/zinc/09/62/05/717096205.db2.gz XUZUAZHWIQQCJQ-UHFFFAOYSA-N 2 0 296.499 2.817 10 5 CFBERP C[N+]1(CCSCC[N+]2(C)CCCCC2)CCCCC1 ZINC000033877771 717123155 /nfs/dbraw/zinc/12/31/55/717123155.db2.gz GAUDIDXGOIEOSH-UHFFFAOYSA-N 2 0 286.529 2.981 10 5 CFBERP Cc1cc(NCC2([NH3+])CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000235994619 382891890 /nfs/dbraw/zinc/89/18/90/382891890.db2.gz LBGUYCBAENTMFT-UHFFFAOYSA-N 2 0 286.335 2.745 10 5 CFBERP C[N@@H+]1CCCC[C@H]1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000052205816 523798428 /nfs/dbraw/zinc/79/84/28/523798428.db2.gz YIXQPGPFJWWETI-HNNXBMFYSA-N 2 0 291.395 2.601 10 5 CFBERP CC[N+](C)(C)CCCOCCC[N+](CC)(CC)CC ZINC000001999037 717092014 /nfs/dbraw/zinc/09/20/14/717092014.db2.gz UQCUJJIYYVNBHS-UHFFFAOYSA-N 2 0 274.493 2.756 10 5 CFBERP CC[NH2+]CCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000122222054 347815647 /nfs/dbraw/zinc/81/56/47/347815647.db2.gz CZAJAFNATWOVKZ-UHFFFAOYSA-N 2 0 288.351 2.863 10 5 CFBERP Cc1cc(N[C@@H](C)CC[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000312635991 525291384 /nfs/dbraw/zinc/29/13/84/525291384.db2.gz COHMZURUKNNLMO-VIFPVBQESA-N 2 0 274.324 2.601 10 5 CFBERP Cc1cc(N[C@H](C)CC[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000312635988 525299188 /nfs/dbraw/zinc/29/91/88/525299188.db2.gz COHMZURUKNNLMO-SECBINFHSA-N 2 0 274.324 2.601 10 5 CFBERP C[N+]1(CCC[n+]2ccc3ccccc3c2)CCCC1 ZINC000001998291 717091542 /nfs/dbraw/zinc/09/15/42/717091542.db2.gz AKJQYPPLUWUJAQ-UHFFFAOYSA-N 2 0 256.393 2.758 10 5 CFBERP C[N+](C)(C)CCCCCC[NH2+]CCCCC[N+](C)(C)C ZINC000504682713 717183447 /nfs/dbraw/zinc/18/34/47/717183447.db2.gz PXGUKTLTZLWWOA-UHFFFAOYSA-N 3 0 287.536 2.719 10 5 CFBERP C[N+](C)(C)CCCCCOCCCCC[N+](C)(C)C ZINC000001851697 717090745 /nfs/dbraw/zinc/09/07/45/717090745.db2.gz OETCFVMENJQTTM-UHFFFAOYSA-N 2 0 274.493 2.756 10 5 in-man CFBERP Cc1cc(NC[C@H]([NH3+])C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122235121 232199254 /nfs/dbraw/zinc/19/92/54/232199254.db2.gz VMGIJQMMBAHQNM-ZDUSSCGKSA-N 2 0 286.335 2.601 10 5 CFBERP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000157888812 524992932 /nfs/dbraw/zinc/99/29/32/524992932.db2.gz HCPJXVUOZXRFLU-SNVBAGLBSA-N 2 0 297.786 2.807 10 5 CFBERP C[N@+]12CCCC[C@@H]1[C@H]1C[C@@H](C2)[C@H]2CCCC[N@@+]2(C)C1 ZINC000250855940 717165367 /nfs/dbraw/zinc/16/53/67/717165367.db2.gz QGDLYDMYZLVNLI-DTXAGUPXSA-N 2 0 264.457 2.634 10 5 CFBERP CCN(Cc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747544 174392906 /nfs/dbraw/zinc/39/29/06/174392906.db2.gz QRKMTROWKLQZTA-YIONKMFJSA-N 2 0 289.379 2.700 10 5 CFBERP CC[N+]1(CCC2CC[N+](C)(CC)CC2)CCCC1 ZINC000033852525 717122473 /nfs/dbraw/zinc/12/24/73/717122473.db2.gz ZRUSLRFACZJABV-UHFFFAOYSA-N 2 0 254.462 2.884 10 5 CFBERP Cc1ccc([C@@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1[N+](=O)[O-] ZINC000040749207 174393493 /nfs/dbraw/zinc/39/34/93/174393493.db2.gz PMKBEVUTBJYPSX-JZIBPQBNSA-N 2 0 289.379 2.918 10 5 CFBERP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000157892377 527194691 /nfs/dbraw/zinc/19/46/91/527194691.db2.gz AOCPQVHCLRQLKY-LLVKDONJSA-N 2 0 297.786 2.809 10 5 CFBERP Cc1cc(NC[C@H]([NH3+])C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122230202 187021949 /nfs/dbraw/zinc/02/19/49/187021949.db2.gz KRCOFHIMPWHRQC-ZDUSSCGKSA-N 2 0 288.351 2.847 10 5 CFBERP CCCC[N+](C)(C)CCOCC[N+](C)(C)CCCC ZINC000001998182 717091670 /nfs/dbraw/zinc/09/16/70/717091670.db2.gz CHLRDWQXYLCLKN-UHFFFAOYSA-N 2 0 274.493 2.756 10 5 CFBERP CCC[NH2+]CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000122225217 187022194 /nfs/dbraw/zinc/02/21/94/187022194.db2.gz VKRYUBOXHNAZJN-UHFFFAOYSA-N 2 0 288.351 2.863 10 5 CFBERP C[N+]1(C)CCC([C@@H]2c3ccccc3CC[N+]2(C)C)CC1 ZINC000008535775 170339288 /nfs/dbraw/zinc/33/92/88/170339288.db2.gz ACBYSHQVFDFORU-GOSISDBHSA-N 2 0 274.452 2.847 10 5 CFBERP C[N+](C)(C)CCCC[N+]1(C)C[C@@H]2CCC[C@@H](C2)C1 ZINC000001998055 717091032 /nfs/dbraw/zinc/09/10/32/717091032.db2.gz ZHTFPKQTBCDRBO-BYICEURKSA-N 2 0 254.462 2.739 10 5 CFBERP Cc1cc(NC2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122221856 347815184 /nfs/dbraw/zinc/81/51/84/347815184.db2.gz TVSFDRSQJFYJAK-UHFFFAOYSA-N 2 0 286.335 2.615 10 5 CFBERP CC[N+](C)(CC)CC[N+]1(C)C[C@@H]2CCCC[C@H]2C1 ZINC000001995689 717091023 /nfs/dbraw/zinc/09/10/23/717091023.db2.gz CQAZMOOTRRNOQN-HOTGVXAUSA-N 2 0 254.462 2.739 10 5 CFBERP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000051693473 373406416 /nfs/dbraw/zinc/40/64/16/373406416.db2.gz QYHVSXIEWWPXET-VOMCLLRMSA-N 2 0 263.341 2.515 10 5 CFBERP CC[NH+]1CCC(C[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000044518583 175190939 /nfs/dbraw/zinc/19/09/39/175190939.db2.gz CLHSGOLIKGJSMI-UHFFFAOYSA-N 2 0 295.358 2.555 10 5 CFBERP Cc1cc(NCC(C)(C)[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122236014 232198915 /nfs/dbraw/zinc/19/89/15/232198915.db2.gz GSIUBQNEXRULAS-UHFFFAOYSA-N 2 0 274.324 2.601 10 5 CFBERP Cc1ccc([C@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1[N+](=O)[O-] ZINC000040749209 174393476 /nfs/dbraw/zinc/39/34/76/174393476.db2.gz PMKBEVUTBJYPSX-PRTUASRFSA-N 2 0 289.379 2.918 10 5 CFBERP CC[C@H]([NH3+])CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000122229725 393966125 /nfs/dbraw/zinc/96/61/25/393966125.db2.gz QLLHQAJSGUAZNA-JTQLQIEISA-N 2 0 274.324 2.601 10 5 CFBERP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000157892522 527191659 /nfs/dbraw/zinc/19/16/59/527191659.db2.gz AOCPQVHCLRQLKY-NSHDSACASA-N 2 0 297.786 2.809 10 5 CFBERP C[N+](C)(C)CCCCc1ccc([N+](C)(C)C)cc1 ZINC000001999140 717091997 /nfs/dbraw/zinc/09/19/97/717091997.db2.gz ZSFUSXRJLJAKNP-UHFFFAOYSA-N 2 0 250.430 2.912 10 5 CFBERP CC[N+](CC)(CC)CCOCC[N+]1(CC)CCCCC1 ZINC000033852528 717122453 /nfs/dbraw/zinc/12/24/53/717122453.db2.gz JRYYSSQMQBXZEB-UHFFFAOYSA-N 2 0 286.504 2.900 10 5 CFBERP Cc1cc(NC[C@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122224477 187022017 /nfs/dbraw/zinc/02/20/17/187022017.db2.gz XCBXPTFHPOQBHU-LLVKDONJSA-N 2 0 286.335 2.615 10 5 CFBERP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000044517242 175190470 /nfs/dbraw/zinc/19/04/70/175190470.db2.gz ZPSHUDQHYLDEPF-CYBMUJFWSA-N 2 0 291.395 2.977 10 5 CFBERP Cc1cc2[nH+]ccc(NCCC[NH+](C)C)c2cc1[N+](=O)[O-] ZINC000027547934 372343101 /nfs/dbraw/zinc/34/31/01/372343101.db2.gz DVFNALLNKWMVHG-UHFFFAOYSA-N 2 0 288.351 2.815 10 5 CFBERP C[NH+](C)CCCC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000075436939 176708745 /nfs/dbraw/zinc/70/87/45/176708745.db2.gz RJDKAGWPPIKMGL-UHFFFAOYSA-N 2 0 285.775 2.680 10 5 CFBERP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000157888667 524827182 /nfs/dbraw/zinc/82/71/82/524827182.db2.gz HCPJXVUOZXRFLU-JTQLQIEISA-N 2 0 297.786 2.807 10 5 CFBERP CC[N+](CC)(CC)CCOCC[N+]1(CC)CCCC1 ZINC000033852448 717121852 /nfs/dbraw/zinc/12/18/52/717121852.db2.gz NJXKFOLTVVAERZ-UHFFFAOYSA-N 2 0 272.477 2.510 10 5 CFBERP