smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CO)[C@@H]2CCCO2)c1 ZINC000447922563 238344353 /nfs/dbraw/zinc/34/43/53/238344353.db2.gz PNRHYPKJYJCTCL-WOPDTQHZSA-N 0 3 300.315 -0.718 20 5 DBBDHN CC(C)N1CC[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000564565725 284062180 /nfs/dbraw/zinc/06/21/80/284062180.db2.gz WNJGLWRHUQOOKM-RYUDHWBXSA-N 0 3 311.342 -0.249 20 5 DBBDHN CC(CO)(CO)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564799258 284067314 /nfs/dbraw/zinc/06/73/14/284067314.db2.gz QMYJJZFMKJEKAA-NSHDSACASA-N 0 3 314.338 -0.085 20 5 DBBDHN COCC[NH2+]CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000565950307 284107952 /nfs/dbraw/zinc/10/79/52/284107952.db2.gz BNHBOBGCICSQML-UHFFFAOYSA-N 0 3 304.328 -0.496 20 5 DBBDHN CCC[C@H](O)[C@@H](CO)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579474580 374558669 /nfs/dbraw/zinc/55/86/69/374558669.db2.gz FCQFSHBTEIGEKE-UTUOFQBUSA-N 0 3 302.331 -0.736 20 5 DBBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584183663 374644565 /nfs/dbraw/zinc/64/45/65/374644565.db2.gz QMIBIWUAMURSFG-WPRPVWTQSA-N 0 3 307.310 -0.683 20 5 DBBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@](C)(O)CN(C)C ZINC000337470283 374730984 /nfs/dbraw/zinc/73/09/84/374730984.db2.gz UZOFIIYEMIIPAO-ZDUSSCGKSA-N 0 3 313.358 -0.081 20 5 DBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860034 374769404 /nfs/dbraw/zinc/76/94/04/374769404.db2.gz BLPLCGGXTKQLJW-DGCLKSJQSA-N 0 3 323.353 -0.151 20 5 DBBDHN O=C(Nc1nc(N2CCNCC2)n[nH]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000570449176 375362522 /nfs/dbraw/zinc/36/25/22/375362522.db2.gz NMNMSGZJECIQPS-UHFFFAOYSA-N 0 3 307.274 -0.902 20 5 DBBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(C(N)=O)CCCC1 ZINC000120168481 375465051 /nfs/dbraw/zinc/46/50/51/375465051.db2.gz SFGCRJPNMFHJQH-NSHDSACASA-N 0 3 311.342 -0.118 20 5 DBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000592869969 375828154 /nfs/dbraw/zinc/82/81/54/375828154.db2.gz APQXPFICBBKKPV-MRVPVSSYSA-N 0 3 310.314 -0.490 20 5 DBBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1=O ZINC000593250784 375852424 /nfs/dbraw/zinc/85/24/24/375852424.db2.gz IZKFUMHRFAPJLM-UHFFFAOYSA-N 0 3 309.326 -0.231 20 5 DBBDHN N[C@@H]1C[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000594874243 375968493 /nfs/dbraw/zinc/96/84/93/375968493.db2.gz QEQZEGRGRDFETB-CHWSQXEVSA-N 0 3 318.333 -0.092 20 5 DBBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1COCCO1 ZINC000595738484 376029476 /nfs/dbraw/zinc/02/94/76/376029476.db2.gz JDILLBIXDWNDDG-RYUDHWBXSA-N 0 3 300.315 -0.501 20 5 DBBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)n1 ZINC000599100287 376242582 /nfs/dbraw/zinc/24/25/82/376242582.db2.gz LVMKGSJFZRNXPU-RNFRBKRXSA-N 0 3 307.307 -0.612 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CNCCC1(F)F ZINC000567900022 376334891 /nfs/dbraw/zinc/33/48/91/376334891.db2.gz HMLPKKDTBBGYHD-SECBINFHSA-N 0 3 316.264 -0.130 20 5 DBBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000574054645 377262291 /nfs/dbraw/zinc/26/22/91/377262291.db2.gz MOSDGPXAJDEEJM-GXSJLCMTSA-N 0 3 304.306 -0.021 20 5 DBBDHN NC(=O)[C@@]1(O)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000367004006 377444299 /nfs/dbraw/zinc/44/42/99/377444299.db2.gz QKYIVMFISGEFLC-CQSZACIVSA-N 0 3 322.321 -0.155 20 5 DBBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000619254202 379814931 /nfs/dbraw/zinc/81/49/31/379814931.db2.gz IUEUBHLFEWIARE-ZDUSSCGKSA-N 0 3 311.342 -0.294 20 5 DBBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576957948 380520529 /nfs/dbraw/zinc/52/05/29/380520529.db2.gz XUADBUKFEJFKGS-JQWIXIFHSA-N 0 3 319.321 -0.318 20 5 DBBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(CCO)CCO)c1 ZINC000298669225 382358165 /nfs/dbraw/zinc/35/81/65/382358165.db2.gz IUIYMVYJGIOYKA-GFCCVEGCSA-N 0 3 300.311 -0.379 20 5 DBBDHN CCN1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068467580 382557003 /nfs/dbraw/zinc/55/70/03/382557003.db2.gz MLZXPBBAEZQMAX-UHFFFAOYSA-N 0 3 324.385 -0.147 20 5 DBBDHN CN(C)C1CN(c2ncnc(N3CC(N(C)C)C3)c2[N+](=O)[O-])C1 ZINC000603331824 382640057 /nfs/dbraw/zinc/64/00/57/382640057.db2.gz JLVXNSLJFWAJJI-UHFFFAOYSA-N 0 3 321.385 -0.115 20 5 DBBDHN CCN1CCN(CCNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000353882282 382641991 /nfs/dbraw/zinc/64/19/91/382641991.db2.gz QVYQRGNYFNORSH-UHFFFAOYSA-N 0 3 310.358 -0.006 20 5 DBBDHN CCN1CC[C@H]2OCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1 ZINC000355328201 382643250 /nfs/dbraw/zinc/64/32/50/382643250.db2.gz DOKONHJBJGBLCF-WDEREUQCSA-N 0 3 324.341 -0.492 20 5 DBBDHN CCN1CC[C@H]2OCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000355328190 382643261 /nfs/dbraw/zinc/64/32/61/382643261.db2.gz DOKONHJBJGBLCF-GHMZBOCLSA-N 0 3 324.341 -0.492 20 5 DBBDHN O=C(CN1CCNCC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000602451742 382638880 /nfs/dbraw/zinc/63/88/80/382638880.db2.gz GRNBVLVRZMWEBD-UHFFFAOYSA-N 0 3 308.338 -0.005 20 5 DBBDHN CN(C)CCOCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000349720263 392139045 /nfs/dbraw/zinc/13/90/45/392139045.db2.gz DJTGECYZRINGMM-UHFFFAOYSA-N 0 3 312.326 -0.549 20 5 DBBDHN C[NH+](C)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC1 ZINC000285059372 131134844 /nfs/dbraw/zinc/13/48/44/131134844.db2.gz GZSVJCUYGILJCS-UHFFFAOYSA-N 0 3 310.314 -0.836 20 5 DBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H](CO)CN1CCCCC1 ZINC000288443336 131325880 /nfs/dbraw/zinc/32/58/80/131325880.db2.gz IRNIWJWYBJPQKR-NSHDSACASA-N 0 3 311.342 -0.246 20 5 DBBDHN CNc1nccc(C(=O)NCC2(O)CCN(C)CC2)c1[N+](=O)[O-] ZINC000570342451 412336297 /nfs/dbraw/zinc/33/62/97/412336297.db2.gz JCMKXBZENSKGRE-UHFFFAOYSA-N 0 3 323.353 0.218 20 5 DBBDHN CN(CCN)C(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000423312980 265894361 /nfs/dbraw/zinc/89/43/61/265894361.db2.gz VXHFWYIQVCWQTP-UHFFFAOYSA-N 0 3 306.322 -0.103 20 5 DBBDHN CC(C)OC[C@H](CO)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000433166072 266038260 /nfs/dbraw/zinc/03/82/60/266038260.db2.gz WTILRDGPJUWSJJ-QWHCGFSZSA-N 0 3 316.358 -0.130 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@]1(O)CN2CCC1CC2 ZINC000517197313 266292054 /nfs/dbraw/zinc/29/20/54/266292054.db2.gz GITWDUTUDMOFNV-CYBMUJFWSA-N 0 3 309.326 -0.636 20 5 DBBDHN N[C@H]1C[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000584540700 337359733 /nfs/dbraw/zinc/35/97/33/337359733.db2.gz INZQTKXURNKBLI-NEPJUHHUSA-N 0 3 318.333 -0.092 20 5 DBBDHN CC(CO)(CO)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574400266 341757468 /nfs/dbraw/zinc/75/74/68/341757468.db2.gz OLMVLCONRRZUPZ-GFCCVEGCSA-N 0 3 314.338 -0.085 20 5 DBBDHN CN(C)CCN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000265232008 521762061 /nfs/dbraw/zinc/76/20/61/521762061.db2.gz HPDFBEZURJWEOT-UHFFFAOYSA-N 0 3 324.385 -0.113 20 5 DBBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000346672402 526987267 /nfs/dbraw/zinc/98/72/67/526987267.db2.gz UJNCPWVNVWBKFE-SYEHKZFSSA-N 0 3 323.353 -0.262 20 5 DBBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000347464847 527576270 /nfs/dbraw/zinc/57/62/70/527576270.db2.gz OYVHRFBWSRFUHX-JTQLQIEISA-N 0 3 311.342 -0.095 20 5 DBBDHN Cc1nc(C)n(CCN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001031662056 677494632 /nfs/dbraw/zinc/49/46/32/677494632.db2.gz SCBXBUCRUWZJNV-CHWSQXEVSA-N 0 3 322.369 -0.392 20 5 DBBDHN COCCN1CCC[C@H]1COC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000861034080 806256270 /nfs/dbraw/zinc/25/62/70/806256270.db2.gz GLSJOGKXCFSPLJ-JTQLQIEISA-N 0 3 313.314 -0.160 20 5 DBBDHN C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC001320398789 806485399 /nfs/dbraw/zinc/48/53/99/806485399.db2.gz KOYYCNGCAMBZKH-NSHDSACASA-N 0 3 324.385 -0.058 20 5 DBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001323633907 806897961 /nfs/dbraw/zinc/89/79/61/806897961.db2.gz FMRJRTPIXNBANO-VXGBXAGGSA-N 0 3 323.353 -0.233 20 5 DBBDHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105372 805026046 /nfs/dbraw/zinc/02/60/46/805026046.db2.gz YEKXLUVLAMJTDR-WCBMZHEXSA-N 0 3 301.299 -0.678 20 5 DBBDHN CS(=O)(=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000818963136 805118420 /nfs/dbraw/zinc/11/84/20/805118420.db2.gz HXSKQFSUOOEWJZ-JTQLQIEISA-N 0 3 318.351 -0.031 20 5 DBBDHN CN1CCNC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001340065772 808618282 /nfs/dbraw/zinc/61/82/82/808618282.db2.gz RQTYCRGJUDGXTN-ZDUSSCGKSA-N 0 3 308.338 -0.007 20 5 DBBDHN O=C(CCc1c[nH]cn1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011114103 812845251 /nfs/dbraw/zinc/84/52/51/812845251.db2.gz DFGMDGCTLFNFQN-VXGBXAGGSA-N 0 3 321.337 -0.322 20 5 DBBDHN Cn1cc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001086363236 825243077 /nfs/dbraw/zinc/24/30/77/825243077.db2.gz JCVGBXVTGVWQRY-CNVPUSNMSA-N 0 3 308.342 -0.535 20 5 DBBDHN NCc1cn(-c2ncnc(N3CCOCC3)c2[N+](=O)[O-])cn1 ZINC001162298338 833087138 /nfs/dbraw/zinc/08/71/38/833087138.db2.gz FJNHXRYCKIUPHX-UHFFFAOYSA-N 0 3 305.298 -0.134 20 5 DBBDHN COc1nc(N(C)S(=O)(=O)CCN)nc(C)c1[N+](=O)[O-] ZINC001164286975 833199628 /nfs/dbraw/zinc/19/96/28/833199628.db2.gz FTSFUAHFZDHZRC-UHFFFAOYSA-N 0 3 305.316 -0.573 20 5 DBBDHN Cn1nnnc1CNCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490422 833214240 /nfs/dbraw/zinc/21/42/40/833214240.db2.gz IYOIGLKCVZLBAN-NXEZZACHSA-N 0 3 323.357 -0.749 20 5 DBBDHN COc1ccc(C[C@H](C)NCC(=O)NCC(N)=O)c([N+](=O)[O-])c1 ZINC001170326384 833351075 /nfs/dbraw/zinc/35/10/75/833351075.db2.gz ILYSVMNMUPYULU-VIFPVBQESA-N 0 3 324.337 -0.275 20 5 DBBDHN Cn1ccc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)n1 ZINC001176081439 833400380 /nfs/dbraw/zinc/40/03/80/833400380.db2.gz UCKZUOALQFVMAX-UHFFFAOYSA-N 0 3 321.341 -0.029 20 5 DBBDHN O=C(CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1nccs1 ZINC001126932411 829970424 /nfs/dbraw/zinc/97/04/24/829970424.db2.gz WIKMTFFHZCOMCB-HTQZYQBOSA-N 0 3 313.339 -0.547 20 5 DBBDHN Cn1c(Cl)cnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936643 829971880 /nfs/dbraw/zinc/97/18/80/829971880.db2.gz NZOXVJJGDYESRM-HTQZYQBOSA-N 0 3 301.734 -0.056 20 5 DBBDHN Cn1nnc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001132523519 830663968 /nfs/dbraw/zinc/66/39/68/830663968.db2.gz MHWAWYTWBYCMCL-UHFFFAOYSA-N 0 3 305.298 -0.362 20 5 DBBDHN COCCN1CC[C@@H](NC(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC001147026342 831327083 /nfs/dbraw/zinc/32/70/83/831327083.db2.gz HVDUUZQMGGZWPT-LLVKDONJSA-N 0 3 311.342 -0.063 20 5 DBBDHN NC(=O)c1ccnc(N2C[C@@H]3CCCN3C[C@@H]2CO)c1[N+](=O)[O-] ZINC001187525604 833932181 /nfs/dbraw/zinc/93/21/81/833932181.db2.gz UCPUWUJNOJUVHX-VHSXEESVSA-N 0 3 321.337 -0.266 20 5 DBBDHN CN1CCN(CCCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 ZINC001255165284 834606129 /nfs/dbraw/zinc/60/61/29/834606129.db2.gz PELQCXNCPGGTPT-UHFFFAOYSA-N 0 3 323.353 -0.507 20 5 DBBDHN COC(=O)[C@@H]1CN(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001195225803 834665235 /nfs/dbraw/zinc/66/52/35/834665235.db2.gz VNDGQZNYPACWCJ-LLVKDONJSA-N 0 3 311.342 -0.172 20 5 DBBDHN Cn1cc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)nn1 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Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)CC(N)=O)CC1 ZINC000990423893 811629558 /nfs/dbraw/zinc/62/95/58/811629558.db2.gz QZKGXBVMQIMMNJ-UHFFFAOYSA-N 0 3 324.341 -0.716 20 5 DBBDHN O=C(CCc1nnc[nH]1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010936647 812802021 /nfs/dbraw/zinc/80/20/21/812802021.db2.gz NYYONDUIQQXYOY-NXEZZACHSA-N 0 3 322.325 -0.927 20 5 DBBDHN CCn1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001020139059 814312138 /nfs/dbraw/zinc/31/21/38/814312138.db2.gz OQPVJPKLXHSRHO-CNVPUSNMSA-N 0 3 308.342 -0.300 20 5 DBBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(CC(=O)N2CCC2)CC1 ZINC001045436424 816631929 /nfs/dbraw/zinc/63/19/29/816631929.db2.gz RAIOCUNGBSCWHA-VXGBXAGGSA-N 0 3 324.381 -0.145 20 5 DBBDHN CC(C)N1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001070963349 820587060 /nfs/dbraw/zinc/58/70/60/820587060.db2.gz NCKFUQDXDCKZIG-VXGBXAGGSA-N 0 3 312.370 -0.290 20 5 DBBDHN CCn1ncc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086082997 825175290 /nfs/dbraw/zinc/17/52/90/825175290.db2.gz KIQLQCMIHQIOSJ-LYIQGSDWSA-N 0 3 322.369 -0.052 20 5 DBBDHN CCn1nncc1CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001274016506 833007473 /nfs/dbraw/zinc/00/74/73/833007473.db2.gz NWUMJASTGHFWAL-OPVGQWETSA-N 0 3 308.342 -0.275 20 5 DBBDHN Cn1cc(NCc2nnn3c2CNCCC3)cc([N+](=O)[O-])c1=O ZINC001162971750 833125238 /nfs/dbraw/zinc/12/52/38/833125238.db2.gz NCPRLNCJTPFJAR-UHFFFAOYSA-N 0 3 319.325 -0.010 20 5 DBBDHN CN(c1ccc([N+](=O)[O-])c2c1CNC2=O)S(=O)(=O)CCN ZINC001164300550 833203503 /nfs/dbraw/zinc/20/35/03/833203503.db2.gz SFNAAPZEGUACLI-UHFFFAOYSA-N 0 3 314.323 -0.437 20 5 DBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001164268667 833198943 /nfs/dbraw/zinc/19/89/43/833198943.db2.gz PAXFNNNUMUGCRX-IAZYJMLFSA-N 0 3 323.353 -0.183 20 5 DBBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC001116419594 828893666 /nfs/dbraw/zinc/89/36/66/828893666.db2.gz BMWQNSODRQKJIE-ZJUUUORDSA-N 0 3 309.326 -0.079 20 5 DBBDHN COc1ccc(C[C@@H](C)NCC(=O)NCC(N)=O)c([N+](=O)[O-])c1 ZINC001170326383 833351082 /nfs/dbraw/zinc/35/10/82/833351082.db2.gz ILYSVMNMUPYULU-SECBINFHSA-N 0 3 324.337 -0.275 20 5 DBBDHN NC(=O)NCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001150414536 831614465 /nfs/dbraw/zinc/61/44/65/831614465.db2.gz MYPWOINBUUQGMM-UHFFFAOYSA-N 0 3 309.326 -0.141 20 5 DBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccn[nH]1 ZINC001154886902 831904542 /nfs/dbraw/zinc/90/45/42/831904542.db2.gz UDDNUSIICHVEPF-UHFFFAOYSA-N 0 3 307.314 -0.039 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001158509606 832119943 /nfs/dbraw/zinc/11/99/43/832119943.db2.gz XHAVOOLPMFULMG-STQMWFEESA-N 0 3 323.353 -0.151 20 5 DBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)Cn1nccn1 ZINC001158922613 832144926 /nfs/dbraw/zinc/14/49/26/832144926.db2.gz YKKWZIUPPYVYHM-UHFFFAOYSA-N 0 3 322.329 -0.784 20 5 DBBDHN CNC(=O)CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160098054 832875394 /nfs/dbraw/zinc/87/53/94/832875394.db2.gz QUNGZGIMBRGTTQ-VXGBXAGGSA-N 0 3 310.354 -0.464 20 5 DBBDHN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NC1CC1 ZINC001273507583 832933122 /nfs/dbraw/zinc/93/31/22/832933122.db2.gz FVXKRDJLROIYEM-VXGBXAGGSA-N 0 3 312.370 -0.290 20 5 DBBDHN CN1CCN(CC2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC001261742901 834843291 /nfs/dbraw/zinc/84/32/91/834843291.db2.gz JVJMIVIDDGJDIB-UHFFFAOYSA-N 0 3 308.342 -0.363 20 5 DBBDHN O=C(NCCO)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001352899994 980761106 /nfs/dbraw/zinc/76/11/06/980761106.db2.gz VRMDZKTYZVWINJ-UHFFFAOYSA-N 0 3 311.342 -0.388 20 5 DBBDHN [NH3+]C1(CO)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001592741475 1016784625 /nfs/dbraw/zinc/78/46/25/1016784625.db2.gz SUWUTLGASIBWJG-UHFFFAOYSA-N 0 3 320.313 -0.540 20 5 DBBDHN [NH3+]C1(CO)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001592741475 1016784638 /nfs/dbraw/zinc/78/46/38/1016784638.db2.gz SUWUTLGASIBWJG-UHFFFAOYSA-N 0 3 320.313 -0.540 20 5 DBBDHN CN1CCC(N(CCO)C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001469565218 1009670414 /nfs/dbraw/zinc/67/04/14/1009670414.db2.gz OZMKGORKGBHPOB-UHFFFAOYSA-N 0 3 311.342 -0.294 20 5 DBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCCN1CCO ZINC001450022034 1010617172 /nfs/dbraw/zinc/61/71/72/1010617172.db2.gz PWUVWRAUZPQVMK-SNVBAGLBSA-N 0 3 312.330 -0.851 20 5 DBBDHN C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604777985 1018447922 /nfs/dbraw/zinc/44/79/22/1018447922.db2.gz AXSUJHCGALFCCS-UHFFFAOYSA-N 0 3 322.329 -0.307 20 5 DBBDHN C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604777985 1018447926 /nfs/dbraw/zinc/44/79/26/1018447926.db2.gz AXSUJHCGALFCCS-UHFFFAOYSA-N 0 3 322.329 -0.307 20 5 DBBDHN C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604777985 1018447935 /nfs/dbraw/zinc/44/79/35/1018447935.db2.gz AXSUJHCGALFCCS-UHFFFAOYSA-N 0 3 322.329 -0.307 20 5 DBBDHN C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604777985 1018447943 /nfs/dbraw/zinc/44/79/43/1018447943.db2.gz AXSUJHCGALFCCS-UHFFFAOYSA-N 0 3 322.329 -0.307 20 5 DBBDHN O=C(CCc1c[nH]cn1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001525022461 1022365615 /nfs/dbraw/zinc/36/56/15/1022365615.db2.gz IVJCIQONGQSPAH-DDHJBXDOSA-N 0 3 321.337 -0.229 20 5 DBBDHN CN1CCN(CCCCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000609075074 412505535 /nfs/dbraw/zinc/50/55/35/412505535.db2.gz WKHVIOSVGCRZLG-UHFFFAOYSA-N 0 3 309.374 -0.172 20 5 DBBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCC1CCN(CCO)CC1 ZINC000356743902 138144232 /nfs/dbraw/zinc/14/42/32/138144232.db2.gz MCYZETMAFDDLGL-UHFFFAOYSA-N 0 3 311.342 -0.238 20 5 DBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CN2CCN1CCC2 ZINC000372333847 138166623 /nfs/dbraw/zinc/16/66/23/138166623.db2.gz SENCPAGCNPNYRU-LBPRGKRZSA-N 0 3 308.342 -0.703 20 5 DBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@]1(O)CN2CCC1CC2 ZINC000556851258 283958194 /nfs/dbraw/zinc/95/81/94/283958194.db2.gz CELYLEQCXNNLCN-CQSZACIVSA-N 0 3 323.353 -0.246 20 5 DBBDHN CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000226615019 374465676 /nfs/dbraw/zinc/46/56/76/374465676.db2.gz QWUGRFMZDXCPOP-JTQLQIEISA-N 0 3 314.367 -0.142 20 5 DBBDHN CN1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](CN)C1 ZINC000579246386 374518471 /nfs/dbraw/zinc/51/84/71/374518471.db2.gz JTCJVHVTUMKKDU-SECBINFHSA-N 0 3 315.355 -0.747 20 5 DBBDHN CCC[C@H](O)[C@@H](CO)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579474579 374558908 /nfs/dbraw/zinc/55/89/08/374558908.db2.gz FCQFSHBTEIGEKE-TUAOUCFPSA-N 0 3 302.331 -0.736 20 5 DBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860539 374768282 /nfs/dbraw/zinc/76/82/82/374768282.db2.gz GYXFFCSYGXDESN-WDEREUQCSA-N 0 3 309.326 -0.541 20 5 DBBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@H](O)C[C@H]1CO ZINC000364196212 375303426 /nfs/dbraw/zinc/30/34/26/375303426.db2.gz JNCHACORGSTPLD-TUAOUCFPSA-N 0 3 312.322 -0.238 20 5 DBBDHN CCN(CCO)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000183920948 375546252 /nfs/dbraw/zinc/54/62/52/375546252.db2.gz ORQILYADMRPTBL-UHFFFAOYSA-N 0 3 313.358 -0.080 20 5 DBBDHN CO[C@@]1(CO)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595662160 376028398 /nfs/dbraw/zinc/02/83/98/376028398.db2.gz NHWHNXAFZNNPKT-OLZOCXBDSA-N 0 3 314.342 -0.375 20 5 DBBDHN CN(C)C[C@@H](CO)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597655587 376159665 /nfs/dbraw/zinc/15/96/65/376159665.db2.gz YSJCOVXDODFMFW-VIFPVBQESA-N 0 3 311.294 -0.024 20 5 DBBDHN C[C@@](O)(CO)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567877346 376321476 /nfs/dbraw/zinc/32/14/76/376321476.db2.gz NJCQMZZZLJGBLY-MFKMUULPSA-N 0 3 300.311 -0.333 20 5 DBBDHN C[C@](O)(CO)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567877347 376322417 /nfs/dbraw/zinc/32/24/17/376322417.db2.gz NJCQMZZZLJGBLY-ZWNOBZJWSA-N 0 3 300.311 -0.333 20 5 DBBDHN COC(=O)[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000366732581 377373445 /nfs/dbraw/zinc/37/34/45/377373445.db2.gz XOYRFTVIQXDTQG-ADEWGFFLSA-N 0 3 312.326 -0.107 20 5 DBBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000574338263 378056197 /nfs/dbraw/zinc/05/61/97/378056197.db2.gz RFUZGKOCMLRSND-ZDUSSCGKSA-N 0 3 309.326 -0.485 20 5 DBBDHN CN(C)C[C@]1(O)CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000619254184 379813542 /nfs/dbraw/zinc/81/35/42/379813542.db2.gz IUEUBHLFEWIARE-CYBMUJFWSA-N 0 3 311.342 -0.294 20 5 DBBDHN CC(C)N1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000572356361 380172601 /nfs/dbraw/zinc/17/26/01/380172601.db2.gz HGOVGGQBXJJDBH-PWSUYJOCSA-N 0 3 311.342 -0.249 20 5 DBBDHN CN(C)CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000044682688 380375382 /nfs/dbraw/zinc/37/53/82/380375382.db2.gz OROJTDKDDHYCQU-UHFFFAOYSA-N 0 3 310.358 -0.503 20 5 DBBDHN Cc1nn(CCC(=O)N2CCN(C)C[C@@H]2CN)c(C)c1[N+](=O)[O-] ZINC000576872757 380506211 /nfs/dbraw/zinc/50/62/11/380506211.db2.gz WHULQULBJSHFKR-LBPRGKRZSA-N 0 3 324.385 -0.100 20 5 DBBDHN O=[N+]([O-])c1ccn(CCN(CCO)CCN2CCOCC2)n1 ZINC000152975022 381030855 /nfs/dbraw/zinc/03/08/55/381030855.db2.gz OAWSWCSMHBOQEE-UHFFFAOYSA-N 0 3 313.358 -0.582 20 5 DBBDHN 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20 5 DBBDHN Cc1ncc(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c(=O)[n-]1 ZINC001162306113 833088500 /nfs/dbraw/zinc/08/85/00/833088500.db2.gz TXPXLBWMPCZQCF-MRVPVSSYSA-N 0 3 303.282 -0.119 20 5 DBBDHN O=[N+]([O-])c1cc[n+]([O-])cc1NCc1nnn2c1CNCCC2 ZINC001162971586 833125421 /nfs/dbraw/zinc/12/54/21/833125421.db2.gz LIXJYESCEDWTTE-UHFFFAOYSA-N 0 3 305.298 -0.075 20 5 DBBDHN O=C1NC(=O)C2(CCN(CCn3ccc([N+](=O)[O-])n3)CC2)N1 ZINC001116403694 828891991 /nfs/dbraw/zinc/89/19/91/828891991.db2.gz ZYNJSCBLVOGCDQ-UHFFFAOYSA-N 0 3 308.298 -0.535 20 5 DBBDHN O=C(Cn1cnnn1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123304733 829651185 /nfs/dbraw/zinc/65/11/85/829651185.db2.gz KCNSGKXPHCAFPY-UHFFFAOYSA-N 0 3 305.298 -0.513 20 5 DBBDHN Cc1nccn1CC(=O)NCCNCc1c([N+](=O)[O-])ncn1C ZINC001151147529 831668133 /nfs/dbraw/zinc/66/81/33/831668133.db2.gz QMJBCOGGSRNRCV-UHFFFAOYSA-N 0 3 321.341 -0.261 20 5 DBBDHN COc1nc(C)c([N+](=O)[O-])c(N(C)S(=O)(=O)CCN)n1 ZINC001156236826 831975643 /nfs/dbraw/zinc/97/56/43/831975643.db2.gz RIPFMSFAGMMOAO-UHFFFAOYSA-N 0 3 305.316 -0.573 20 5 DBBDHN COC(=O)c1ccnc(N(C)S(=O)(=O)CCN)c1[N+](=O)[O-] ZINC001156236618 831975714 /nfs/dbraw/zinc/97/57/14/831975714.db2.gz OBCIDDZHVBEWCP-UHFFFAOYSA-N 0 3 318.311 -0.499 20 5 DBBDHN CN(C)c1noc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157761675 832061522 /nfs/dbraw/zinc/06/15/22/832061522.db2.gz XCBPRDOWTKNMJO-RKDXNWHRSA-N 0 3 312.330 -0.603 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001158509603 832119551 /nfs/dbraw/zinc/11/95/51/832119551.db2.gz XHAVOOLPMFULMG-OLZOCXBDSA-N 0 3 323.353 -0.151 20 5 DBBDHN CN(CCO)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001187593958 833935056 /nfs/dbraw/zinc/93/50/56/833935056.db2.gz QSUFEQURNNWOQT-UHFFFAOYSA-N 0 3 318.355 -0.422 20 5 DBBDHN COC(=O)[C@H]1CN(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001195225807 834665333 /nfs/dbraw/zinc/66/53/33/834665333.db2.gz VNDGQZNYPACWCJ-NSHDSACASA-N 0 3 311.342 -0.172 20 5 DBBDHN O=C1NCC2(CCOCC2)[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC001198147718 834929969 /nfs/dbraw/zinc/92/99/69/834929969.db2.gz RCPZKZPEBIUNNV-LLVKDONJSA-N 0 3 309.326 -0.324 20 5 DBBDHN CN(CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC001325514467 979710969 /nfs/dbraw/zinc/71/09/69/979710969.db2.gz DJBGHTROZQQOMU-UHFFFAOYSA-N 0 3 324.341 -0.882 20 5 DBBDHN COC[C@](C)([NH3+])CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591370051 1016494199 /nfs/dbraw/zinc/49/41/99/1016494199.db2.gz IUQJMVWNJYPYME-LLVKDONJSA-N 0 3 308.302 -0.054 20 5 DBBDHN COC[C@](C)([NH3+])CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591370051 1016494203 /nfs/dbraw/zinc/49/42/03/1016494203.db2.gz IUQJMVWNJYPYME-LLVKDONJSA-N 0 3 308.302 -0.054 20 5 DBBDHN O=[N+]([O-])c1cnc(NCC[N@H+]2CC[C@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001593485722 1016897333 /nfs/dbraw/zinc/89/73/33/1016897333.db2.gz XDCLHFDBGPYWGW-VIFPVBQESA-N 0 3 320.313 -0.352 20 5 DBBDHN O=[N+]([O-])c1cnc(NCC[N@@H+]2CC[C@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001593485722 1016897334 /nfs/dbraw/zinc/89/73/34/1016897334.db2.gz XDCLHFDBGPYWGW-VIFPVBQESA-N 0 3 320.313 -0.352 20 5 DBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC(N[C@@H]2CCOC2)C1 ZINC001597701988 1017203342 /nfs/dbraw/zinc/20/33/42/1017203342.db2.gz XYNQPPSFADGZDK-SNVBAGLBSA-N 0 3 309.326 -0.229 20 5 DBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001603335981 1018168457 /nfs/dbraw/zinc/16/84/57/1018168457.db2.gz JPTGKOVIHYRAND-MNOVXSKESA-N 0 3 324.341 -0.756 20 5 DBBDHN CN1CCNC[C@@H]1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001578538111 1020264555 /nfs/dbraw/zinc/26/45/55/1020264555.db2.gz HGDLQWQUUGTMJU-UKRRQHHQSA-N 0 3 322.365 -0.178 20 5 DBBDHN O=[N+]([O-])c1ccccc1CCNS(=O)(=O)N1CCNCC1 ZINC001580876014 1020811786 /nfs/dbraw/zinc/81/17/86/1020811786.db2.gz WRESZTGDLNNLAU-UHFFFAOYSA-N 0 3 314.367 -0.123 20 5 DBBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001558550116 1023963445 /nfs/dbraw/zinc/96/34/45/1023963445.db2.gz HLWONGXNSPBJHJ-SNVBAGLBSA-N 0 3 309.326 -0.311 20 5 DBBDHN O=C(NCC1CN(CCOCC(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001567830101 1024828911 /nfs/dbraw/zinc/82/89/11/1024828911.db2.gz YFDOXJVEPWIISX-NXEZZACHSA-N 0 3 307.297 -0.019 20 5 DBBDHN CN1CCN(CC2CN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000599109264 412506635 /nfs/dbraw/zinc/50/66/35/412506635.db2.gz QMKKFPXDRNXKFV-UHFFFAOYSA-N 0 3 307.358 -0.349 20 5 DBBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@H](O)C[C@H]2CO)c1 ZINC000372124811 138164827 /nfs/dbraw/zinc/16/48/27/138164827.db2.gz VFJLEEHQBHVWFW-XQQFMLRXSA-N 0 3 312.322 -0.238 20 5 DBBDHN CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000124371932 283564416 /nfs/dbraw/zinc/56/44/16/283564416.db2.gz GIWNUGBTIREEAD-LLVKDONJSA-N 0 3 314.367 -0.142 20 5 DBBDHN CN(C)C[C@@H](CO)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563137897 284025943 /nfs/dbraw/zinc/02/59/43/284025943.db2.gz KKSMEOGNEHNTFH-RYUDHWBXSA-N 0 3 313.354 -0.153 20 5 DBBDHN O=C(NC1CNC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000563644352 284045985 /nfs/dbraw/zinc/04/59/85/284045985.db2.gz BOHDZGDRJHCMAY-UHFFFAOYSA-N 0 3 304.306 -0.433 20 5 DBBDHN COC[C@H](CO)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564656187 284064087 /nfs/dbraw/zinc/06/40/87/284064087.db2.gz IZEPEBNBZRBRSH-CMPLNLGQSA-N 0 3 300.311 -0.069 20 5 DBBDHN Nc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000564739582 284066366 /nfs/dbraw/zinc/06/63/66/284066366.db2.gz JZRBUTYMAIOCMR-WCBMZHEXSA-N 0 3 319.321 -0.439 20 5 DBBDHN Cn1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579853099 374613391 /nfs/dbraw/zinc/61/33/91/374613391.db2.gz CCDGCGQTSAWZCW-RKDXNWHRSA-N 0 3 307.310 -0.683 20 5 DBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860036 374769247 /nfs/dbraw/zinc/76/92/47/374769247.db2.gz BLPLCGGXTKQLJW-YPMHNXCESA-N 0 3 323.353 -0.151 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588861937 374769499 /nfs/dbraw/zinc/76/94/99/374769499.db2.gz ZMLLHYPWHATPIV-CMPLNLGQSA-N 0 3 309.326 -0.541 20 5 DBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860035 374769537 /nfs/dbraw/zinc/76/95/37/374769537.db2.gz BLPLCGGXTKQLJW-WCQYABFASA-N 0 3 323.353 -0.151 20 5 DBBDHN N[C@@H]1C[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000570741278 375386654 /nfs/dbraw/zinc/38/66/54/375386654.db2.gz XWIAEWCSRFEZPA-QWHCGFSZSA-N 0 3 318.333 -0.092 20 5 DBBDHN CN(C)C[C@H](CO)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000589102057 375450910 /nfs/dbraw/zinc/45/09/10/375450910.db2.gz XFHVTGLEHNDGKX-MRVPVSSYSA-N 0 3 318.355 -0.423 20 5 DBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCCN1CCO ZINC000452389790 375532799 /nfs/dbraw/zinc/53/27/99/375532799.db2.gz MSUWABPIPNTCFG-LLVKDONJSA-N 0 3 311.342 -0.246 20 5 DBBDHN CN(C)C[C@@H](CO)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000590369360 375528077 /nfs/dbraw/zinc/52/80/77/375528077.db2.gz CWZQUUFXKFIOGV-NSHDSACASA-N 0 3 324.337 -0.637 20 5 DBBDHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592383487 375796572 /nfs/dbraw/zinc/79/65/72/375796572.db2.gz XSZCIOTXLTVZAW-ZETCQYMHSA-N 0 3 317.323 -0.009 20 5 DBBDHN Cc1n[nH]c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592878560 375826271 /nfs/dbraw/zinc/82/62/71/375826271.db2.gz GKNQASNCFDUTKK-SECBINFHSA-N 0 3 324.341 -0.182 20 5 DBBDHN Cc1[nH]nc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592878560 375826276 /nfs/dbraw/zinc/82/62/76/375826276.db2.gz GKNQASNCFDUTKK-SECBINFHSA-N 0 3 324.341 -0.182 20 5 DBBDHN COC[C@H]1C[C@@H](O)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593066296 375843951 /nfs/dbraw/zinc/84/39/51/375843951.db2.gz KHNUKUTVJVVZMG-JLLWLGSASA-N 0 3 300.315 -0.766 20 5 DBBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1=O ZINC000593234756 375852909 /nfs/dbraw/zinc/85/29/09/375852909.db2.gz JHDHQQUGJSZIDU-UHFFFAOYSA-N 0 3 323.353 -0.221 20 5 DBBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1=O ZINC000593784629 375891021 /nfs/dbraw/zinc/89/10/21/375891021.db2.gz SVCNFOMAXPKMFY-UHFFFAOYSA-N 0 3 309.326 -0.231 20 5 DBBDHN Cc1n[nH]c(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593784294 375891487 /nfs/dbraw/zinc/89/14/87/375891487.db2.gz LSQOKDMNYZBPJU-UHFFFAOYSA-N 0 3 324.341 -0.528 20 5 DBBDHN Cc1[nH]nc(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593784294 375891492 /nfs/dbraw/zinc/89/14/92/375891492.db2.gz LSQOKDMNYZBPJU-UHFFFAOYSA-N 0 3 324.341 -0.528 20 5 DBBDHN N[C@@H]1C[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000594874247 375967480 /nfs/dbraw/zinc/96/74/80/375967480.db2.gz QEQZEGRGRDFETB-QWHCGFSZSA-N 0 3 318.333 -0.092 20 5 DBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594392553 375924305 /nfs/dbraw/zinc/92/43/05/375924305.db2.gz HWUNGBYEFQGHMY-CMPLNLGQSA-N 0 3 309.326 -0.541 20 5 DBBDHN NC[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000594525814 375936400 /nfs/dbraw/zinc/93/64/00/375936400.db2.gz WAKFIRYRXOAMGV-SSDOTTSWSA-N 0 3 310.236 -0.020 20 5 DBBDHN Nc1nc(N)nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000599015869 376236654 /nfs/dbraw/zinc/23/66/54/376236654.db2.gz SXICCJFLRTXXDP-UHFFFAOYSA-N 0 3 316.325 -0.068 20 5 DBBDHN CO[C@@H](CN)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000318800944 376717782 /nfs/dbraw/zinc/71/77/82/376717782.db2.gz MNJXHFJCWHPNMA-NSHDSACASA-N 0 3 309.326 -0.388 20 5 DBBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC1CNC1 ZINC000571659419 376765140 /nfs/dbraw/zinc/76/51/40/376765140.db2.gz SNYBLTAYEJUPJT-UHFFFAOYSA-N 0 3 308.294 -0.692 20 5 DBBDHN CN(C)c1ncc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1C ZINC000573713489 377108928 /nfs/dbraw/zinc/10/89/28/377108928.db2.gz VJGCRIUUPJTEAE-GFCCVEGCSA-N 0 3 323.357 -0.259 20 5 DBBDHN COC(=O)[C@@H](O)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573920725 377187408 /nfs/dbraw/zinc/18/74/08/377187408.db2.gz WQHZEUVHDFFDQM-ONGXEEELSA-N 0 3 314.294 -0.542 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H](O)CN1CCCCC1 ZINC000269565630 377406979 /nfs/dbraw/zinc/40/69/79/377406979.db2.gz GVIBQZBUIFVZDN-GFCCVEGCSA-N 0 3 311.342 -0.246 20 5 DBBDHN CCS(=O)(=O)C[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584775750 379842224 /nfs/dbraw/zinc/84/22/24/379842224.db2.gz RSTVMFJFUZJEIM-ONGXEEELSA-N 0 3 320.371 -0.435 20 5 DBBDHN NC(=O)C1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000123006148 382348023 /nfs/dbraw/zinc/34/80/23/382348023.db2.gz RGHKWDSKXCVGQY-NSHDSACASA-N 0 3 311.342 -0.070 20 5 DBBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCO2)s1 ZINC000420484973 382508773 /nfs/dbraw/zinc/50/87/73/382508773.db2.gz YQIVXQSAQDSIEW-SSDOTTSWSA-N 0 3 307.353 -0.077 20 5 DBBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533557359 382569106 /nfs/dbraw/zinc/56/91/06/382569106.db2.gz PWTYYPPHVFTYHW-NSHDSACASA-N 0 3 318.355 -0.419 20 5 DBBDHN CO[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1OC ZINC000276814684 382587000 /nfs/dbraw/zinc/58/70/00/382587000.db2.gz DZBDDUYEERWPGD-UTUOFQBUSA-N 0 3 300.315 -0.502 20 5 DBBDHN CO[C@@H](CN)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353478228 382641070 /nfs/dbraw/zinc/64/10/70/382641070.db2.gz FBTJUZVHBZGLHQ-KOLCDFICSA-N 0 3 309.326 -0.024 20 5 DBBDHN O=C(CN1CCNCC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602502709 382639287 /nfs/dbraw/zinc/63/92/87/382639287.db2.gz IGFMVERFRRUAPL-UHFFFAOYSA-N 0 3 305.338 -0.220 20 5 DBBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000349777918 392139747 /nfs/dbraw/zinc/13/97/47/392139747.db2.gz VFUALULOCIIAMT-LBPRGKRZSA-N 0 3 324.385 -0.067 20 5 DBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H](CO)CN1CCCCC1 ZINC000288443333 131325767 /nfs/dbraw/zinc/32/57/67/131325767.db2.gz IRNIWJWYBJPQKR-LLVKDONJSA-N 0 3 311.342 -0.246 20 5 DBBDHN COC(=O)c1cc(C)nc(NC[C@@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000342832194 412378658 /nfs/dbraw/zinc/37/86/58/412378658.db2.gz RIUXSVNGJZGGHG-AWEZNQCLSA-N 0 3 324.337 0.563 20 5 DBBDHN Cc1c(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cccc1[N+](=O)[O-] ZINC000361085489 418942471 /nfs/dbraw/zinc/94/24/71/418942471.db2.gz HZWIPHSOLXUERP-SNVBAGLBSA-N 0 3 324.337 -0.120 20 5 DBBDHN NS(=O)(=O)c1ccc(OC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000116884213 544688488 /nfs/dbraw/zinc/68/84/88/544688488.db2.gz OTKDYAAENIUUAO-QMMMGPOBSA-N 0 3 317.323 -0.391 20 5 DBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@]1(O)CN2CCC1CC2 ZINC000517257556 266293271 /nfs/dbraw/zinc/29/32/71/266293271.db2.gz UPDXYKQONQHVNP-ZDUSSCGKSA-N 0 3 309.326 -0.636 20 5 DBBDHN CN(CCN1CCCC1=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525784813 266347641 /nfs/dbraw/zinc/34/76/41/266347641.db2.gz SHCSVNFYBLRCEW-GFCCVEGCSA-N 0 3 311.342 -0.294 20 5 DBBDHN C[NH2+]CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262726448 277272560 /nfs/dbraw/zinc/27/25/60/277272560.db2.gz ASCAMNPUOCZKRN-UHFFFAOYSA-N 0 3 317.323 -0.136 20 5 DBBDHN O=C1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000566969193 332621068 /nfs/dbraw/zinc/62/10/68/332621068.db2.gz YCNSDKNBOJRBHJ-JOYOIKCWSA-N 0 3 309.326 -0.495 20 5 DBBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000582976568 337225319 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CN1CCNC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001340065769 808618068 /nfs/dbraw/zinc/61/80/68/808618068.db2.gz RQTYCRGJUDGXTN-CYBMUJFWSA-N 0 3 308.338 -0.007 20 5 DBBDHN Cc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n[nH]1 ZINC000954235028 809198403 /nfs/dbraw/zinc/19/84/03/809198403.db2.gz OVLSAPHGFZMPNA-MWLCHTKSSA-N 0 3 307.310 -0.334 20 5 DBBDHN CCCn1nnnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139843 814313702 /nfs/dbraw/zinc/31/37/02/814313702.db2.gz OBSDDZGDOYDCCB-GWOFURMSSA-N 0 3 323.357 -0.515 20 5 DBBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001034720879 814717491 /nfs/dbraw/zinc/71/74/91/814717491.db2.gz LYOZMCXDDNILNB-KYZUINATSA-N 0 3 324.341 -0.669 20 5 DBBDHN O=C(CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)NC1CC1 ZINC001072725597 820996720 /nfs/dbraw/zinc/99/67/20/820996720.db2.gz QFKGYGUQGOCDPE-VXGBXAGGSA-N 0 3 322.365 -0.536 20 5 DBBDHN CN(C)C1(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)CCC1 ZINC001093928195 826180199 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Cn1cc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)cn1 ZINC001154510270 831885438 /nfs/dbraw/zinc/88/54/38/831885438.db2.gz NBAPEHNJEYUKFN-UHFFFAOYSA-N 0 3 321.341 -0.029 20 5 DBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)Cn1cccn1 ZINC001154599637 831889602 /nfs/dbraw/zinc/88/96/02/831889602.db2.gz HHBULIZIDMMIRX-UHFFFAOYSA-N 0 3 321.341 -0.179 20 5 DBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCCS(=O)(=O)C2CC2)c1 ZINC001261437601 834784439 /nfs/dbraw/zinc/78/44/39/834784439.db2.gz GRPVDGHVFBQNRJ-JTQLQIEISA-N 0 3 318.355 -0.681 20 5 DBBDHN CN(C)c1ccncc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491283464 1015333480 /nfs/dbraw/zinc/33/34/80/1015333480.db2.gz QBGGYQRQGDRUGL-BXKDBHETSA-N 0 3 321.337 -0.341 20 5 DBBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001593471757 1016896581 /nfs/dbraw/zinc/89/65/81/1016896581.db2.gz YKPHJOSYWXFXCB-RKDXNWHRSA-N 0 3 302.298 -0.175 20 5 DBBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001593471757 1016896583 /nfs/dbraw/zinc/89/65/83/1016896583.db2.gz YKPHJOSYWXFXCB-RKDXNWHRSA-N 0 3 302.298 -0.175 20 5 DBBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001467810857 1009521967 /nfs/dbraw/zinc/52/19/67/1009521967.db2.gz GELNXIYFNVUEFF-NEPJUHHUSA-N 0 3 323.353 -0.233 20 5 DBBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(CNCc2ccon2)CC1 ZINC001484953092 1012904680 /nfs/dbraw/zinc/90/46/80/1012904680.db2.gz OMMQKAYJVRERLI-VXGBXAGGSA-N 0 3 324.337 -0.217 20 5 DBBDHN Cc1nccn1CC(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001577064633 1019998746 /nfs/dbraw/zinc/99/87/46/1019998746.db2.gz FARBPZAKHMEVRI-VXGBXAGGSA-N 0 3 323.353 -0.179 20 5 DBBDHN C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591011918 1021630863 /nfs/dbraw/zinc/63/08/63/1021630863.db2.gz HLZGWWMSLQIDOQ-ZETCQYMHSA-N 0 3 322.329 -0.309 20 5 DBBDHN CN(CCO)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001558359211 1023958860 /nfs/dbraw/zinc/95/88/60/1023958860.db2.gz VBRJORNJROXKOU-UHFFFAOYSA-N 0 3 311.294 -0.023 20 5 DBBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN1CCCO ZINC001569470201 1025250657 /nfs/dbraw/zinc/25/06/57/1025250657.db2.gz OHVCVKOPKKXKOP-JTQLQIEISA-N 0 3 311.342 -0.095 20 5 DBBDHN COCCN1CCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000341865997 138115590 /nfs/dbraw/zinc/11/55/90/138115590.db2.gz NUQHPGIECXATCV-SNVBAGLBSA-N 0 3 312.330 -0.587 20 5 DBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377481990 138192965 /nfs/dbraw/zinc/19/29/65/138192965.db2.gz RCVDTIWNOSQNDL-MNOVXSKESA-N 0 3 309.326 -0.229 20 5 DBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CO)[C@H]2CCCO2)c1 ZINC000447922559 238344423 /nfs/dbraw/zinc/34/44/23/238344423.db2.gz PNRHYPKJYJCTCL-GRYCIOLGSA-N 0 3 300.315 -0.718 20 5 DBBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@]1(CO)CCOC1 ZINC000359791026 374373260 /nfs/dbraw/zinc/37/32/60/374373260.db2.gz GHQIHXIOCZMUPG-NWDGAFQWSA-N 0 3 300.315 -0.765 20 5 DBBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@]1(CO)CCOC1 ZINC000359791032 374374010 /nfs/dbraw/zinc/37/40/10/374374010.db2.gz GHQIHXIOCZMUPG-VXGBXAGGSA-N 0 3 300.315 -0.765 20 5 DBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](OCCO)C2)c1 ZINC000247511932 374807077 /nfs/dbraw/zinc/80/70/77/374807077.db2.gz MOVRCFSCPUDSQW-CHWSQXEVSA-N 0 3 314.342 -0.375 20 5 DBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860532 374769322 /nfs/dbraw/zinc/76/93/22/374769322.db2.gz GYXFFCSYGXDESN-GHMZBOCLSA-N 0 3 309.326 -0.541 20 5 DBBDHN CN(C)C[C@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000588866163 374769439 /nfs/dbraw/zinc/76/94/39/374769439.db2.gz FSOKPXGCDINLCC-MRVPVSSYSA-N 0 3 300.290 -0.032 20 5 DBBDHN CN1C[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000590446960 375541745 /nfs/dbraw/zinc/54/17/45/375541745.db2.gz XPUOUPBYCAYPFI-CMPLNLGQSA-N 0 3 306.322 -0.081 20 5 DBBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000590446965 375542059 /nfs/dbraw/zinc/54/20/59/375542059.db2.gz XPUOUPBYCAYPFI-JQWIXIFHSA-N 0 3 306.322 -0.081 20 5 DBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000592873641 375826667 /nfs/dbraw/zinc/82/66/67/375826667.db2.gz PSQDTMBSQDRSBX-SECBINFHSA-N 0 3 324.341 -0.480 20 5 DBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592874029 375826750 /nfs/dbraw/zinc/82/67/50/375826750.db2.gz QLWNOZHNKMUSQB-QMMMGPOBSA-N 0 3 310.314 -0.490 20 5 DBBDHN COC[C@H]1C[C@@H](O)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593066297 375843413 /nfs/dbraw/zinc/84/34/13/375843413.db2.gz KHNUKUTVJVVZMG-YUSALJHKSA-N 0 3 300.315 -0.766 20 5 DBBDHN CN(C)CCN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1=O ZINC000593783861 375890838 /nfs/dbraw/zinc/89/08/38/375890838.db2.gz DLUIONMBMQVWLF-UHFFFAOYSA-N 0 3 310.314 -0.836 20 5 DBBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCCO2)nc1 ZINC000595109795 375973076 /nfs/dbraw/zinc/97/30/76/375973076.db2.gz QHEABSCIQXQFMJ-SNVBAGLBSA-N 0 3 316.339 -0.353 20 5 DBBDHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595661081 376027361 /nfs/dbraw/zinc/02/73/61/376027361.db2.gz DEZHVXYOOXKQRC-GARJFASQSA-N 0 3 314.298 -0.928 20 5 DBBDHN COC(=O)[C@@H]1OCC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000595662925 376028465 /nfs/dbraw/zinc/02/84/65/376028465.db2.gz FUALTZOWJBBGRO-CMPLNLGQSA-N 0 3 311.294 -0.323 20 5 DBBDHN COCCNCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598913254 376228816 /nfs/dbraw/zinc/22/88/16/376228816.db2.gz GZMZMUYNBIMEHX-UHFFFAOYSA-N 0 3 310.310 -0.115 20 5 DBBDHN [NH3+]C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCOCC1 ZINC000599101972 376244974 /nfs/dbraw/zinc/24/49/74/376244974.db2.gz LQUFWVNLIHLVJX-UHFFFAOYSA-N 0 3 316.339 -0.224 20 5 DBBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1OC ZINC000573795892 377143356 /nfs/dbraw/zinc/14/33/56/377143356.db2.gz SJSXBBSHYBDZOH-YVECIDJPSA-N 0 3 314.342 -0.066 20 5 DBBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000574054655 377263362 /nfs/dbraw/zinc/26/33/62/377263362.db2.gz MOSDGPXAJDEEJM-KOLCDFICSA-N 0 3 304.306 -0.021 20 5 DBBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000294606522 378407889 /nfs/dbraw/zinc/40/78/89/378407889.db2.gz JLRWZMWGTBNOOU-ZYHUDNBSSA-N 0 3 311.342 -0.295 20 5 DBBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000294681370 378429522 /nfs/dbraw/zinc/42/95/22/378429522.db2.gz PMNOQROBOLRZEQ-GHMZBOCLSA-N 0 3 311.342 -0.295 20 5 DBBDHN CCS(=O)(=O)C[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584775748 379840788 /nfs/dbraw/zinc/84/07/88/379840788.db2.gz RSTVMFJFUZJEIM-KOLCDFICSA-N 0 3 320.371 -0.435 20 5 DBBDHN CCS(=O)(=O)C[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584775747 379842002 /nfs/dbraw/zinc/84/20/02/379842002.db2.gz RSTVMFJFUZJEIM-GXSJLCMTSA-N 0 3 320.371 -0.435 20 5 DBBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576957949 380520417 /nfs/dbraw/zinc/52/04/17/380520417.db2.gz XUADBUKFEJFKGS-PWSUYJOCSA-N 0 3 319.321 -0.318 20 5 DBBDHN Cc1nn(CCC(=O)N2CCN(C)C[C@H]2CN)c(C)c1[N+](=O)[O-] ZINC000576872751 380505922 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CCN1CC[C@@H]2OCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1 ZINC000355328199 382643156 /nfs/dbraw/zinc/64/31/56/382643156.db2.gz DOKONHJBJGBLCF-QWRGUYRKSA-N 0 3 324.341 -0.492 20 5 DBBDHN CC(C)C(=O)NCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000157602312 392365031 /nfs/dbraw/zinc/36/50/31/392365031.db2.gz KBOGDOUBDWTITL-LBPRGKRZSA-N 0 3 313.358 -0.144 20 5 DBBDHN CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[n-]2)CC1 ZINC000286296736 131229391 /nfs/dbraw/zinc/22/93/91/131229391.db2.gz CFYUAWRGRQVFDN-UHFFFAOYSA-N 0 3 324.341 -0.400 20 5 DBBDHN COCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000490052928 392476550 /nfs/dbraw/zinc/47/65/50/392476550.db2.gz IPTSUACKVGQXLB-AAEUAGOBSA-N 0 3 314.342 -0.111 20 5 DBBDHN COCCO[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000189666810 392675649 /nfs/dbraw/zinc/67/56/49/392675649.db2.gz YLYYFCNVVZNOSV-QWHCGFSZSA-N 0 3 314.342 -0.111 20 5 DBBDHN CNc1nccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000582915697 412336563 /nfs/dbraw/zinc/33/65/63/412336563.db2.gz OZQKCTKQFKAVDI-UWVGGRQHSA-N 0 3 309.326 -0.222 20 5 DBBDHN COc1ccc(NC(=O)C(=O)N(C)C2CNC2)cc1[N+](=O)[O-] ZINC000415744884 544598078 /nfs/dbraw/zinc/59/80/78/544598078.db2.gz QDTCGQDXLXGNNK-UHFFFAOYSA-N 0 3 308.294 -0.028 20 5 DBBDHN CN(C)CCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000193808136 265673958 /nfs/dbraw/zinc/67/39/58/265673958.db2.gz JFGHWVPVXAFNGA-UHFFFAOYSA-N 0 3 310.358 -0.503 20 5 DBBDHN CC(C)OC[C@@H](CO)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000433166058 266037409 /nfs/dbraw/zinc/03/74/09/266037409.db2.gz WTILRDGPJUWSJJ-CHWSQXEVSA-N 0 3 316.358 -0.130 20 5 DBBDHN CCNC(=O)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000339333917 521746225 /nfs/dbraw/zinc/74/62/25/521746225.db2.gz BWULFBNTSLREOD-VXGBXAGGSA-N 0 3 313.358 -0.098 20 5 DBBDHN COC(=O)COc1ccc(CNC[C@@H](O)CO)cc1[N+](=O)[O-] ZINC000347502033 523224735 /nfs/dbraw/zinc/22/47/35/523224735.db2.gz SZKULYQHPIDHFX-SNVBAGLBSA-N 0 3 314.294 -0.411 20 5 DBBDHN CNC(=O)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247512670 524082045 /nfs/dbraw/zinc/08/20/45/524082045.db2.gz MPMONXFZGMBBHL-ZYHUDNBSSA-N 0 3 311.342 -0.390 20 5 DBBDHN C[C@H]1[C@@H](N(C)CCO)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000347095540 525086780 /nfs/dbraw/zinc/08/67/80/525086780.db2.gz RQMAURKKWZOFTJ-UWVGGRQHSA-N 0 3 311.342 -0.145 20 5 DBBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000361086947 526077204 /nfs/dbraw/zinc/07/72/04/526077204.db2.gz PZHZMGISLNANKB-NSHDSACASA-N 0 3 324.337 -0.120 20 5 DBBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000346672400 526987041 /nfs/dbraw/zinc/98/70/41/526987041.db2.gz UJNCPWVNVWBKFE-SQNXGDPESA-N 0 3 323.353 -0.262 20 5 DBBDHN Cc1nccn1CC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991753768 674888550 /nfs/dbraw/zinc/88/85/50/674888550.db2.gz LOSRVFROFOLVPI-GHMZBOCLSA-N 0 3 307.310 -0.816 20 5 DBBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2CCn1cncn1 ZINC001029305031 671310525 /nfs/dbraw/zinc/31/05/25/671310525.db2.gz RJCMJRPIWPKAHY-YVECIDJPSA-N 0 3 320.353 -0.382 20 5 DBBDHN O=C(NC1CCN(C(=O)c2ccn[nH]2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000944543162 678097906 /nfs/dbraw/zinc/09/79/06/678097906.db2.gz QCPRQVMEHIUZIM-MWLCHTKSSA-N 0 3 307.310 -0.204 20 5 DBBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000861342898 806265243 /nfs/dbraw/zinc/26/52/43/806265243.db2.gz DXOXGYQZHWXEOG-JOYOIKCWSA-N 0 3 313.314 -0.161 20 5 DBBDHN Cc1n[nH]c(C(=O)NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC001318524218 806309049 /nfs/dbraw/zinc/30/90/49/806309049.db2.gz RCNJFIGRMCPPMF-UHFFFAOYSA-N 0 3 310.358 -0.006 20 5 DBBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000808173436 804950177 /nfs/dbraw/zinc/95/01/77/804950177.db2.gz ISLDLTYYEOJYGL-SSDOTTSWSA-N 0 3 300.290 -0.032 20 5 DBBDHN CC(COC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[N+](=O)[O-] ZINC000813113236 805025313 /nfs/dbraw/zinc/02/53/13/805025313.db2.gz CGPTVCXJFAYDQG-YUMQZZPRSA-N 0 3 320.327 -0.705 20 5 DBBDHN CC(COC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[N+](=O)[O-] ZINC000813107895 805025361 /nfs/dbraw/zinc/02/53/61/805025361.db2.gz YQEVHGSGWGFBJO-ZETCQYMHSA-N 0 3 322.277 -0.546 20 5 DBBDHN CC(COC(=O)CCNS(=O)(=O)c1cccnc1)[N+](=O)[O-] ZINC000813109333 805025710 /nfs/dbraw/zinc/02/57/10/805025710.db2.gz IIIVVZGPIPLIEW-SECBINFHSA-N 0 3 317.323 -0.042 20 5 DBBDHN CC(COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[N+](=O)[O-] ZINC000813112236 805025780 /nfs/dbraw/zinc/02/57/80/805025780.db2.gz DOFBJOSTNPRPOA-QMMMGPOBSA-N 0 3 315.307 -0.308 20 5 DBBDHN CC(COC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[N+](=O)[O-] ZINC000813112772 805025892 /nfs/dbraw/zinc/02/58/92/805025892.db2.gz LAARJGKJWOIUEY-SSDOTTSWSA-N 0 3 324.293 -0.602 20 5 DBBDHN CCN(C)C(=O)CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001333337591 808046525 /nfs/dbraw/zinc/04/65/25/808046525.db2.gz SRBKHGVAVIOYEF-CHWSQXEVSA-N 0 3 324.381 -0.122 20 5 DBBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCc2nnc[nH]2)C1 ZINC000954239771 809199200 /nfs/dbraw/zinc/19/92/00/809199200.db2.gz HIPZJWZTLGVSSM-NXEZZACHSA-N 0 3 322.325 -0.928 20 5 DBBDHN CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001070963285 820587426 /nfs/dbraw/zinc/58/74/26/820587426.db2.gz KHXSGHCQYQFLNW-VXGBXAGGSA-N 0 3 312.370 -0.288 20 5 DBBDHN Cn1ncc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086363326 825242808 /nfs/dbraw/zinc/24/28/08/825242808.db2.gz OCRMVXZQRUVSEZ-CNVPUSNMSA-N 0 3 308.342 -0.535 20 5 DBBDHN CC(C)N(C)CC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001093674549 826157450 /nfs/dbraw/zinc/15/74/50/826157450.db2.gz ZZQRPEZMUPVIAA-UHFFFAOYSA-N 0 3 311.346 -0.165 20 5 DBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cnon1 ZINC001168875973 833330398 /nfs/dbraw/zinc/33/03/98/833330398.db2.gz WGBUXNSXDDJUFW-UHFFFAOYSA-N 0 3 309.286 -0.379 20 5 DBBDHN O=C(Cn1ncnn1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001127433036 830008352 /nfs/dbraw/zinc/00/83/52/830008352.db2.gz BVXHGPWWBKEXRG-UHFFFAOYSA-N 0 3 305.298 -0.513 20 5 DBBDHN O=C(Cn1ncnn1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001127433095 830008630 /nfs/dbraw/zinc/00/86/30/830008630.db2.gz DNAVYWJNHMNRTM-UHFFFAOYSA-N 0 3 305.298 -0.513 20 5 DBBDHN NC(=O)NCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154458207 831880771 /nfs/dbraw/zinc/88/07/71/831880771.db2.gz XRCBAFDGLQNTNN-UHFFFAOYSA-N 0 3 315.355 -0.080 20 5 DBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccnn1C ZINC001155480917 831935500 /nfs/dbraw/zinc/93/55/00/831935500.db2.gz VIUBCWNGGMBNPA-UHFFFAOYSA-N 0 3 321.341 -0.029 20 5 DBBDHN COc1nc(N(C)S(=O)(=O)CCN)nc(OC)c1[N+](=O)[O-] ZINC001156237093 831975607 /nfs/dbraw/zinc/97/56/07/831975607.db2.gz WUEMOHHVSBZAHE-UHFFFAOYSA-N 0 3 321.315 -0.873 20 5 DBBDHN CCCn1nnnc1CNCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775591 832063956 /nfs/dbraw/zinc/06/39/56/832063956.db2.gz RGYBSRXIBRAVID-NXEZZACHSA-N 0 3 311.346 -0.656 20 5 DBBDHN NC(=O)[C@@H](N)CCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249289925 834476697 /nfs/dbraw/zinc/47/66/97/834476697.db2.gz KOMDLXJUBPGMOA-LURJTMIESA-N 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1018466315 /nfs/dbraw/zinc/46/63/15/1018466315.db2.gz NYOVNWIZRNNDMZ-LBPRGKRZSA-N 0 3 320.313 -0.352 20 5 DBBDHN C[N@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001604855811 1018466323 /nfs/dbraw/zinc/46/63/23/1018466323.db2.gz NYOVNWIZRNNDMZ-LBPRGKRZSA-N 0 3 320.313 -0.352 20 5 DBBDHN O=[N+]([O-])c1cnc(NCC[N@H+]2CC[C@@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001607087001 1018948236 /nfs/dbraw/zinc/94/82/36/1018948236.db2.gz XDCLHFDBGPYWGW-SECBINFHSA-N 0 3 320.313 -0.352 20 5 DBBDHN O=[N+]([O-])c1cnc(NCC[N@@H+]2CC[C@@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001607087001 1018948259 /nfs/dbraw/zinc/94/82/59/1018948259.db2.gz XDCLHFDBGPYWGW-SECBINFHSA-N 0 3 320.313 -0.352 20 5 DBBDHN Cc1nccn1CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001506049230 1019691804 /nfs/dbraw/zinc/69/18/04/1019691804.db2.gz UGTGGGDLEOYEDO-GHMZBOCLSA-N 0 3 321.337 -0.378 20 5 DBBDHN C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591011915 1021630000 /nfs/dbraw/zinc/63/00/00/1021630000.db2.gz 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314.342 -0.376 20 5 DBBDHN O=C1C[C@@]2(CN1)CCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000362410269 375009862 /nfs/dbraw/zinc/00/98/62/375009862.db2.gz MLEKJURHQHVPOX-GXTWGEPZSA-N 0 3 323.353 -0.246 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363195369 375043503 /nfs/dbraw/zinc/04/35/03/375043503.db2.gz BQYYQWNCIHTYAW-JQWIXIFHSA-N 0 3 309.326 -0.229 20 5 DBBDHN [NH3+]CCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262738307 375140462 /nfs/dbraw/zinc/14/04/62/375140462.db2.gz HTXWOYHUMRUKLQ-UHFFFAOYSA-N 0 3 317.323 -0.007 20 5 DBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCCN1CCO ZINC000452389791 375532986 /nfs/dbraw/zinc/53/29/86/375532986.db2.gz MSUWABPIPNTCFG-NSHDSACASA-N 0 3 311.342 -0.246 20 5 DBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2n[nH]c(C3CC3)n2)c1 ZINC000566121726 375535443 /nfs/dbraw/zinc/53/54/43/375535443.db2.gz NULSBGFYUUZERF-SNVBAGLBSA-N 0 3 307.314 -0.063 20 5 DBBDHN NC(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000566489871 375593054 /nfs/dbraw/zinc/59/30/54/375593054.db2.gz CQLKZTWZRJAOCZ-UWVGGRQHSA-N 0 3 319.321 -0.558 20 5 DBBDHN CCN(CCO)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000187373874 375584492 /nfs/dbraw/zinc/58/44/92/375584492.db2.gz VTQPWAFQDCDYHO-UHFFFAOYSA-N 0 3 314.346 -0.595 20 5 DBBDHN CN(C)C1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000541576090 375634458 /nfs/dbraw/zinc/63/44/58/375634458.db2.gz VEBUEIHZWYDHLL-UHFFFAOYSA-N 0 3 300.340 -0.008 20 5 DBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000592870845 375826499 /nfs/dbraw/zinc/82/64/99/375826499.db2.gz GMMCROSNKVDZRC-SECBINFHSA-N 0 3 324.341 -0.480 20 5 DBBDHN CN(C)CCN1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1=O ZINC000593784360 375891401 /nfs/dbraw/zinc/89/14/01/375891401.db2.gz ODBZBJCNVKVJMP-UHFFFAOYSA-N 0 3 324.341 -0.826 20 5 DBBDHN NC[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000594525815 375936389 /nfs/dbraw/zinc/93/63/89/375936389.db2.gz WAKFIRYRXOAMGV-ZETCQYMHSA-N 0 3 310.236 -0.020 20 5 DBBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594603714 375938036 /nfs/dbraw/zinc/93/80/36/375938036.db2.gz LXNNGUPINXMOTO-VHSXEESVSA-N 0 3 306.322 -0.051 20 5 DBBDHN CO[C@]1(CO)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595662161 376027301 /nfs/dbraw/zinc/02/73/01/376027301.db2.gz NHWHNXAFZNNPKT-QWHCGFSZSA-N 0 3 314.342 -0.375 20 5 DBBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1COCCO1 ZINC000595738485 376030757 /nfs/dbraw/zinc/03/07/57/376030757.db2.gz JDILLBIXDWNDDG-VXGBXAGGSA-N 0 3 300.315 -0.501 20 5 DBBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCOC2(CNC2)C1 ZINC000598915977 376228299 /nfs/dbraw/zinc/22/82/99/376228299.db2.gz RTOLRQWXNNIEDP-UHFFFAOYSA-N 0 3 320.305 -0.266 20 5 DBBDHN O=C1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCCN12 ZINC000568859498 376608297 /nfs/dbraw/zinc/60/82/97/376608297.db2.gz MXZNJQTXDRFRQW-AVGNSLFASA-N 0 3 323.353 -0.105 20 5 DBBDHN Cc1n[nH]c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000568895863 376611348 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CN(C)C(=O)NCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000355035200 382642958 /nfs/dbraw/zinc/64/29/58/382642958.db2.gz UCYVGCIFVVXDRD-NSHDSACASA-N 0 3 314.346 -0.645 20 5 DBBDHN COCCCN(C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357344692 382645504 /nfs/dbraw/zinc/64/55/04/382645504.db2.gz QBCGZXYLSQASKI-UHFFFAOYSA-N 0 3 300.319 -0.729 20 5 DBBDHN CN(C)CCOCCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000471660092 392151582 /nfs/dbraw/zinc/15/15/82/392151582.db2.gz VYERHVZOHHLQRP-UHFFFAOYSA-N 0 3 314.346 -0.331 20 5 DBBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)NCCN(C)C ZINC000566460952 392804989 /nfs/dbraw/zinc/80/49/89/392804989.db2.gz DAMGLGVJUBFLAH-VIFPVBQESA-N 0 3 311.342 -0.271 20 5 DBBDHN CCN(CCO)CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000576120578 412406437 /nfs/dbraw/zinc/40/64/37/412406437.db2.gz JWTRTFBQOVRWLA-UHFFFAOYSA-N 0 3 311.342 0.076 20 5 DBBDHN Cc1c(NC(=O)C(=O)NC[C@H](O)CN(C)C)cccc1[N+](=O)[O-] ZINC000361085488 418941990 /nfs/dbraw/zinc/94/19/90/418941990.db2.gz 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O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1(CCO)CNC1 ZINC000598914008 376228794 /nfs/dbraw/zinc/22/87/94/376228794.db2.gz UVWLWKFGWHRAPD-UHFFFAOYSA-N 0 3 308.294 -0.626 20 5 DBBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@@H](O)C[C@H]1CO ZINC000274469467 376792207 /nfs/dbraw/zinc/79/22/07/376792207.db2.gz JNCHACORGSTPLD-SRVKXCTJSA-N 0 3 312.322 -0.238 20 5 DBBDHN COCCN(C)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000150915082 377123166 /nfs/dbraw/zinc/12/31/66/377123166.db2.gz QNAKSNQJUSVCTN-UHFFFAOYSA-N 0 3 314.346 -0.331 20 5 DBBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000292463770 377211675 /nfs/dbraw/zinc/21/16/75/377211675.db2.gz YACOIAJBVZEXJR-QWRGUYRKSA-N 0 3 310.310 -0.113 20 5 DBBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000574054656 377263163 /nfs/dbraw/zinc/26/31/63/377263163.db2.gz MOSDGPXAJDEEJM-MWLCHTKSSA-N 0 3 304.306 -0.021 20 5 DBBDHN COC(=O)[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000366732582 377372533 /nfs/dbraw/zinc/37/25/33/377372533.db2.gz XOYRFTVIQXDTQG-YUSALJHKSA-N 0 3 312.326 -0.107 20 5 DBBDHN C[C@H](C[S@@](C)=O)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248502425 378386141 /nfs/dbraw/zinc/38/61/41/378386141.db2.gz UFBMEBKNWVUPSP-GYKIULCDSA-N 0 3 304.372 -0.149 20 5 DBBDHN CCN1CCN(CCC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000269155644 379034657 /nfs/dbraw/zinc/03/46/57/379034657.db2.gz RLXVODMJVNJWBR-UHFFFAOYSA-N 0 3 324.385 -0.065 20 5 DBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H](O)CN1CCCCC1 ZINC000269594345 379753389 /nfs/dbraw/zinc/75/33/89/379753389.db2.gz NKUSFXHPLSTULC-LLVKDONJSA-N 0 3 311.342 -0.246 20 5 DBBDHN C[C@H](C[S@](C)=O)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185135305 382108318 /nfs/dbraw/zinc/10/83/18/382108318.db2.gz UFBMEBKNWVUPSP-SSBAMLGTSA-N 0 3 304.372 -0.149 20 5 DBBDHN CCN1CCN(CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000063744576 382287750 /nfs/dbraw/zinc/28/77/50/382287750.db2.gz QQOZRMHOKFYJJR-UHFFFAOYSA-N 0 3 324.385 -0.065 20 5 DBBDHN NC(=O)c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000405638894 382409223 /nfs/dbraw/zinc/40/92/23/382409223.db2.gz CBBRRLGSDNMGRV-WDEREUQCSA-N 0 3 306.322 -0.051 20 5 DBBDHN O=C1[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCC1 ZINC000600762987 382636606 /nfs/dbraw/zinc/63/66/06/382636606.db2.gz YQFOMWXSZNJROG-CHWSQXEVSA-N 0 3 323.353 -0.105 20 5 DBBDHN C[C@@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000132259908 382638489 /nfs/dbraw/zinc/63/84/89/382638489.db2.gz GVHXWNVBIJOZPS-SECBINFHSA-N 0 3 303.340 -0.157 20 5 DBBDHN CC(C(=O)NC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357068959 220692822 /nfs/dbraw/zinc/69/28/22/220692822.db2.gz BCMJJXBJVCJENC-ZCFIWIBFSA-N 0 3 301.280 -0.048 20 5 DBBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H](O)C[C@H]1CO ZINC000274154829 130212322 /nfs/dbraw/zinc/21/23/22/130212322.db2.gz JNCHACORGSTPLD-SDDRHHMPSA-N 0 3 312.322 -0.238 20 5 DBBDHN COCCO[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000189666836 392675394 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CN(C)[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1O ZINC000519519044 266309385 /nfs/dbraw/zinc/30/93/85/266309385.db2.gz HHAFOQMZOREARD-STQMWFEESA-N 0 3 308.338 -0.200 20 5 DBBDHN CN(C)C1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271739285 273792749 /nfs/dbraw/zinc/79/27/49/273792749.db2.gz PZXYMCYFKSBYGG-UHFFFAOYSA-N 0 3 300.340 -0.008 20 5 DBBDHN CC(C)C(=O)NCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000157602447 519489623 /nfs/dbraw/zinc/48/96/23/519489623.db2.gz KBOGDOUBDWTITL-GFCCVEGCSA-N 0 3 313.358 -0.144 20 5 DBBDHN Cc1n[nH]c(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000265344811 525465055 /nfs/dbraw/zinc/46/50/55/525465055.db2.gz VOKDFVOMWALYOX-UHFFFAOYSA-N 0 3 310.358 -0.054 20 5 DBBDHN Cc1[nH]nc(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000265344811 525465061 /nfs/dbraw/zinc/46/50/61/525465061.db2.gz VOKDFVOMWALYOX-UHFFFAOYSA-N 0 3 310.358 -0.054 20 5 DBBDHN CNC(=O)CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981765210 665874046 /nfs/dbraw/zinc/87/40/46/665874046.db2.gz VCSUIGBIIVNXKL-GHMZBOCLSA-N 0 3 310.354 -0.678 20 5 DBBDHN CCc1nnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1C ZINC001022063410 664204593 /nfs/dbraw/zinc/20/45/93/664204593.db2.gz BGNQRYANSFSNBN-LMLFDSFASA-N 0 3 322.369 -0.221 20 5 DBBDHN O=C(N[C@H]1C[C@@H](NCc2nnnn2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063874 664204995 /nfs/dbraw/zinc/20/49/95/664204995.db2.gz NLYURAOWXYWBSI-JZSSXWJLSA-N 0 3 321.341 -0.590 20 5 DBBDHN Cc1cncn1CC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991290027 674651209 /nfs/dbraw/zinc/65/12/09/674651209.db2.gz LLLJPGVKDJSXID-GHMZBOCLSA-N 0 3 307.310 -0.816 20 5 DBBDHN Cc1nccn1CC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991291120 674655488 /nfs/dbraw/zinc/65/54/88/674655488.db2.gz QCLRDFAOIGAPPE-GHMZBOCLSA-N 0 3 307.310 -0.816 20 5 DBBDHN CNC(=O)[C@H](O)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843108634 805607806 /nfs/dbraw/zinc/60/78/06/805607806.db2.gz AOXVTPMKYBFQTM-GXSJLCMTSA-N 0 3 313.310 -0.969 20 5 DBBDHN CN(C)C[C@@H](CO)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000854466361 806037645 /nfs/dbraw/zinc/03/76/45/806037645.db2.gz BKLVJARIMIFWRG-NSHDSACASA-N 0 3 321.337 -0.017 20 5 DBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](n3cncn3)C2)c1 ZINC001324195925 806950917 /nfs/dbraw/zinc/95/09/17/806950917.db2.gz RTHZZHUPENVYBW-CMPLNLGQSA-N 0 3 307.314 -0.309 20 5 DBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](n3cncn3)C2)c1 ZINC001324195928 806950932 /nfs/dbraw/zinc/95/09/32/806950932.db2.gz RTHZZHUPENVYBW-PWSUYJOCSA-N 0 3 307.314 -0.309 20 5 DBBDHN CS(=O)(=O)NCCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158620935 803822628 /nfs/dbraw/zinc/82/26/28/803822628.db2.gz LPXCXXDFQASUKV-NSHDSACASA-N 0 3 303.340 -0.233 20 5 DBBDHN Cc1nccn1CC(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285543453 804913100 /nfs/dbraw/zinc/91/31/00/804913100.db2.gz HLQLOVJUBJGOPA-JDEDCZITSA-N 0 3 321.337 -0.355 20 5 DBBDHN CC(COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[N+](=O)[O-] ZINC000813112226 805025132 /nfs/dbraw/zinc/02/51/32/805025132.db2.gz DOFBJOSTNPRPOA-MRVPVSSYSA-N 0 3 315.307 -0.308 20 5 DBBDHN CC(COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[N+](=O)[O-] ZINC000813099725 805025663 /nfs/dbraw/zinc/02/56/63/805025663.db2.gz BHNZXOUPEYVBGV-SSDOTTSWSA-N 0 3 322.277 -0.546 20 5 DBBDHN CC(COC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[N+](=O)[O-] ZINC000813112773 805025924 /nfs/dbraw/zinc/02/59/24/805025924.db2.gz LAARJGKJWOIUEY-ZETCQYMHSA-N 0 3 324.293 -0.602 20 5 DBBDHN CN1CC[C@H](N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1=O ZINC000820632437 805162574 /nfs/dbraw/zinc/16/25/74/805162574.db2.gz MFKQMSVOABVDOR-GRYCIOLGSA-N 0 3 310.354 -0.537 20 5 DBBDHN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)CN1CCN(C)CC1 ZINC001341457237 808685771 /nfs/dbraw/zinc/68/57/71/808685771.db2.gz VGVMATLEBZFLJA-NSHDSACASA-N 0 3 324.385 -0.058 20 5 DBBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCc2c[nH]cn2)C1 ZINC000954242540 809200065 /nfs/dbraw/zinc/20/00/65/809200065.db2.gz SIRKANGXNMZUQN-VXGBXAGGSA-N 0 3 321.337 -0.323 20 5 DBBDHN CN(C)C(=O)CN1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001005376935 812064475 /nfs/dbraw/zinc/06/44/75/812064475.db2.gz XCHIDAICJGRNHY-VXGBXAGGSA-N 0 3 312.370 -0.337 20 5 DBBDHN NC(=O)C(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001049020708 817511867 /nfs/dbraw/zinc/51/18/67/817511867.db2.gz JWWVCFYAZWXNIS-TXEJJXNPSA-N 0 3 318.333 -0.030 20 5 DBBDHN Cn1cc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001086082958 825174772 /nfs/dbraw/zinc/17/47/72/825174772.db2.gz JCVGBXVTGVWQRY-RBLKWDMZSA-N 0 3 308.342 -0.535 20 5 DBBDHN CCn1ncnc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363276 825243347 /nfs/dbraw/zinc/24/33/47/825243347.db2.gz LJKRGZNVXHVEAI-DDHJBXDOSA-N 0 3 322.369 -0.052 20 5 DBBDHN CN(c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164286973 833199893 /nfs/dbraw/zinc/19/98/93/833199893.db2.gz FNMVYLTZHQBCCZ-UHFFFAOYSA-N 0 3 310.719 -0.394 20 5 DBBDHN COc1ccc(C[C@H](C)NC(CO)(CO)CO)c([N+](=O)[O-])c1 ZINC001170311094 833350610 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DBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860538 374769296 /nfs/dbraw/zinc/76/92/96/374769296.db2.gz GYXFFCSYGXDESN-QWRGUYRKSA-N 0 3 309.326 -0.541 20 5 DBBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(C(N)=O)CCCC1 ZINC000120168644 375465142 /nfs/dbraw/zinc/46/51/42/375465142.db2.gz SFGCRJPNMFHJQH-LLVKDONJSA-N 0 3 311.342 -0.118 20 5 DBBDHN CN(C)C[C@@H](CO)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000589102058 375451787 /nfs/dbraw/zinc/45/17/87/375451787.db2.gz XFHVTGLEHNDGKX-QMMMGPOBSA-N 0 3 318.355 -0.423 20 5 DBBDHN NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000264588962 375535381 /nfs/dbraw/zinc/53/53/81/375535381.db2.gz VTRKWIOAIYDMMP-JTQLQIEISA-N 0 3 309.326 -0.008 20 5 DBBDHN NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000264588962 375535386 /nfs/dbraw/zinc/53/53/86/375535386.db2.gz VTRKWIOAIYDMMP-JTQLQIEISA-N 0 3 309.326 -0.008 20 5 DBBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566496289 375595160 /nfs/dbraw/zinc/59/51/60/375595160.db2.gz QPWRSRFBJDBMEF-SCZZXKLOSA-N 0 3 319.321 -0.439 20 5 DBBDHN CN(C)C[C@H](CO)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000592432377 375801953 /nfs/dbraw/zinc/80/19/53/375801953.db2.gz WAXMPZGTBKPPLM-DGCLKSJQSA-N 0 3 313.354 -0.153 20 5 DBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000592870846 375826715 /nfs/dbraw/zinc/82/67/15/375826715.db2.gz GMMCROSNKVDZRC-VIFPVBQESA-N 0 3 324.341 -0.480 20 5 DBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000592873642 375826797 /nfs/dbraw/zinc/82/67/97/375826797.db2.gz PSQDTMBSQDRSBX-VIFPVBQESA-N 0 3 324.341 -0.480 20 5 DBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592874027 375826822 /nfs/dbraw/zinc/82/68/22/375826822.db2.gz QLWNOZHNKMUSQB-MRVPVSSYSA-N 0 3 310.314 -0.490 20 5 DBBDHN CN(C)CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000593234896 375852781 /nfs/dbraw/zinc/85/27/81/375852781.db2.gz OJABLEMZSWXXPA-UHFFFAOYSA-N 0 3 324.341 -0.976 20 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/nfs/dbraw/zinc/80/56/65/375805665.db2.gz BTFDEFNZLMGODP-GHMZBOCLSA-N 0 3 300.311 -0.069 20 5 DBBDHN Cc1nn(C)c(N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593486094 375865426 /nfs/dbraw/zinc/86/54/26/375865426.db2.gz KAMHRAMEZRHYMM-UHFFFAOYSA-N 0 3 310.358 -0.153 20 5 DBBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593566772 375869754 /nfs/dbraw/zinc/86/97/54/375869754.db2.gz OJSGRCVQAKPUFQ-NSHDSACASA-N 0 3 318.355 -0.419 20 5 DBBDHN NC[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(F)(F)F ZINC000594451275 375930163 /nfs/dbraw/zinc/93/01/63/375930163.db2.gz HSTPZWUSAGFOML-ZETCQYMHSA-N 0 3 308.216 -0.238 20 5 DBBDHN Nc1cc(N2CCN3C[C@H](O)C[C@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC000594603983 375937764 /nfs/dbraw/zinc/93/77/64/375937764.db2.gz QILYHNHJZXXAKL-NWDGAFQWSA-N 0 3 308.338 -0.076 20 5 DBBDHN CO[C@]1(CO)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595662159 376028269 /nfs/dbraw/zinc/02/82/69/376028269.db2.gz NHWHNXAFZNNPKT-CHWSQXEVSA-N 0 3 314.342 -0.375 20 5 DBBDHN 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O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2ccncc2)CC1 ZINC000604231846 382641583 /nfs/dbraw/zinc/64/15/83/382641583.db2.gz HLLROUWZBRXTLL-UHFFFAOYSA-N 0 3 317.309 -0.070 20 5 DBBDHN CC(C(=O)NC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357068956 382645287 /nfs/dbraw/zinc/64/52/87/382645287.db2.gz BCMJJXBJVCJENC-LURJTMIESA-N 0 3 301.280 -0.048 20 5 DBBDHN O=C(CN1CCNCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602501291 382639475 /nfs/dbraw/zinc/63/94/75/382639475.db2.gz FOIDANDUPPTUBK-UHFFFAOYSA-N 0 3 322.369 -0.140 20 5 DBBDHN NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000285480894 131172488 /nfs/dbraw/zinc/17/24/88/131172488.db2.gz ONWREJFHMCVZFH-SECBINFHSA-N 0 3 310.314 -0.613 20 5 DBBDHN NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000285480894 131172489 /nfs/dbraw/zinc/17/24/89/131172489.db2.gz ONWREJFHMCVZFH-SECBINFHSA-N 0 3 310.314 -0.613 20 5 DBBDHN COCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000490052931 392475931 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COC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCO1 ZINC000434797810 266057853 /nfs/dbraw/zinc/05/78/53/266057853.db2.gz SYHIBWLGJXYUKX-FRRDWIJNSA-N 0 3 314.342 -0.064 20 5 DBBDHN CN(CCN1CCCC1=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525784814 266347615 /nfs/dbraw/zinc/34/76/15/266347615.db2.gz SHCSVNFYBLRCEW-LBPRGKRZSA-N 0 3 311.342 -0.294 20 5 DBBDHN O=C1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]2CCCCN12 ZINC000583435941 332405887 /nfs/dbraw/zinc/40/58/87/332405887.db2.gz KTKRBOAPYJOGCH-KGYLQXTDSA-N 0 3 323.353 -0.105 20 5 DBBDHN C[NH2+]CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000580551744 341875634 /nfs/dbraw/zinc/87/56/34/341875634.db2.gz ZYVIJSCHEZBSMA-UHFFFAOYSA-N 0 3 316.339 -0.791 20 5 DBBDHN CN(C)C[C@](C)(O)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000131599353 521886338 /nfs/dbraw/zinc/88/63/38/521886338.db2.gz QVXITGCFBBFVTM-GFCCVEGCSA-N 0 3 314.346 -0.597 20 5 DBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCSC[C@@H]2CCO)c1 ZINC000347384674 527415373 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-0.515 20 5 DBBDHN Cn1cncc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775401 665085405 /nfs/dbraw/zinc/08/54/05/665085405.db2.gz WYQISLUWUNRSRX-LBELIVKGSA-N 0 3 305.338 -0.368 20 5 DBBDHN Cc1cncn1CC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000996069354 678216874 /nfs/dbraw/zinc/21/68/74/678216874.db2.gz NBDBAISWKZMMHK-GHMZBOCLSA-N 0 3 307.310 -0.816 20 5 DBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@](O)(C(F)F)C2)c1 ZINC001307781216 805931216 /nfs/dbraw/zinc/93/12/16/805931216.db2.gz WNANREYTNZVOAO-KOLCDFICSA-N 0 3 306.269 -0.146 20 5 DBBDHN O=C1NC(=O)[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC001307785027 805932550 /nfs/dbraw/zinc/93/25/50/805932550.db2.gz HBLLHGXIFWZQQW-TUAOUCFPSA-N 0 3 305.290 -0.167 20 5 DBBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cn1cnnn1 ZINC001317564933 806187773 /nfs/dbraw/zinc/18/77/73/806187773.db2.gz MIMQRZHJLQTBMA-UHFFFAOYSA-N 0 3 319.325 -0.171 20 5 DBBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000861342897 806265492 /nfs/dbraw/zinc/26/54/92/806265492.db2.gz DXOXGYQZHWXEOG-CABZTGNLSA-N 0 3 313.314 -0.161 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H](CO)CN1CCCC1 ZINC000808223796 804954418 /nfs/dbraw/zinc/95/44/18/804954418.db2.gz ZGGBEEDWMUKPLB-LLVKDONJSA-N 0 3 324.337 -0.671 20 5 DBBDHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105371 805025746 /nfs/dbraw/zinc/02/57/46/805025746.db2.gz YEKXLUVLAMJTDR-SCZZXKLOSA-N 0 3 301.299 -0.678 20 5 DBBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccn[nH]2)C1 ZINC000967948876 811326582 /nfs/dbraw/zinc/32/65/82/811326582.db2.gz BEJNQJHGYLJNMH-MWLCHTKSSA-N 0 3 307.310 -0.252 20 5 DBBDHN NC(=O)C(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001049021217 817511551 /nfs/dbraw/zinc/51/15/51/817511551.db2.gz QFJQREVKZHUBCZ-TXEJJXNPSA-N 0 3 318.333 -0.030 20 5 DBBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)NCCN(CC2CC2)CC1 ZINC001070963346 820587555 /nfs/dbraw/zinc/58/75/55/820587555.db2.gz MZXHAFDDMXOJIH-CHWSQXEVSA-N 0 3 324.381 -0.288 20 5 DBBDHN CN(C)C(=O)CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072725196 820996697 /nfs/dbraw/zinc/99/66/97/820996697.db2.gz KKXOENDTFHIUBU-GHMZBOCLSA-N 0 3 310.354 -0.726 20 5 DBBDHN CCn1cc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001086363289 825243233 /nfs/dbraw/zinc/24/32/33/825243233.db2.gz LZUXYULCILTGKW-FPQZTECRSA-N 0 3 322.369 -0.052 20 5 DBBDHN Cn1ncnc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363228 825243823 /nfs/dbraw/zinc/24/38/23/825243823.db2.gz INSRGXIVSSUBEF-GWOFURMSSA-N 0 3 308.342 -0.535 20 5 DBBDHN CCCN(C)CC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001093788255 826169460 /nfs/dbraw/zinc/16/94/60/826169460.db2.gz VUKMBWPAXXXPTM-UHFFFAOYSA-N 0 3 311.346 -0.163 20 5 DBBDHN O=C(NCc1cn(C2CN(CC3CC3)C2)nn1)[C@@H]1CC1[N+](=O)[O-] ZINC001094290703 826222810 /nfs/dbraw/zinc/22/28/10/826222810.db2.gz GRUFGUDNMCDFNK-CHWSQXEVSA-N 0 3 320.353 -0.174 20 5 DBBDHN NCc1ccnn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001162593146 833113189 /nfs/dbraw/zinc/11/31/89/833113189.db2.gz YSTGLQSVOFNTFB-UHFFFAOYSA-N 0 3 305.298 -0.134 20 5 DBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cnn(C)n1 ZINC001168320093 833322386 /nfs/dbraw/zinc/32/23/86/833322386.db2.gz OVPFTRKGWZWZGK-UHFFFAOYSA-N 0 3 322.329 -0.634 20 5 DBBDHN NCc1cnnn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001169310160 833338324 /nfs/dbraw/zinc/33/83/24/833338324.db2.gz CILQECBCWISBQQ-UHFFFAOYSA-N 0 3 306.286 -0.739 20 5 DBBDHN O=C(NCCO)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001119253331 829242134 /nfs/dbraw/zinc/24/21/34/829242134.db2.gz GYFXLSPQQHTILY-UHFFFAOYSA-N 0 3 311.342 -0.388 20 5 DBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cnnn1C ZINC001157349420 832035941 /nfs/dbraw/zinc/03/59/41/832035941.db2.gz MCTLRKQHBPOMNG-UHFFFAOYSA-N 0 3 322.329 -0.634 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001158509605 832119892 /nfs/dbraw/zinc/11/98/92/832119892.db2.gz XHAVOOLPMFULMG-QWHCGFSZSA-N 0 3 323.353 -0.151 20 5 DBBDHN CC(C)CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001265714838 835166158 /nfs/dbraw/zinc/16/61/58/835166158.db2.gz WULNWLBNDLRHSW-DIACKHNESA-N 0 3 324.381 -0.530 20 5 DBBDHN CCN1CCN(CCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001346620624 980158753 /nfs/dbraw/zinc/15/87/53/980158753.db2.gz CWVUMCGTTFASNK-UHFFFAOYSA-N 0 3 310.358 -0.304 20 5 DBBDHN Cn1nnnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001495917234 1016787843 /nfs/dbraw/zinc/78/78/43/1016787843.db2.gz NZUCHSLQXYSDEN-NXEZZACHSA-N 0 3 323.357 -0.606 20 5 DBBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cn[nH]n1 ZINC001483475876 1011884602 /nfs/dbraw/zinc/88/46/02/1011884602.db2.gz MOTLRXWYPVDRHU-UHFFFAOYSA-N 0 3 322.329 -0.302 20 5 DBBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC(N[C@H]2CCOC2)C1 ZINC001612978896 1019773119 /nfs/dbraw/zinc/77/31/19/1019773119.db2.gz CRUDJBAYGGRDPL-QMMMGPOBSA-N 0 3 307.310 -0.344 20 5 DBBDHN CN1CCNC[C@H]1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001578538109 1020261144 /nfs/dbraw/zinc/26/11/44/1020261144.db2.gz HGDLQWQUUGTMJU-DZGCQCFKSA-N 0 3 322.365 -0.178 20 5 DBBDHN C[NH+](C)C[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591011710 1021630415 /nfs/dbraw/zinc/63/04/15/1021630415.db2.gz GQAURDOJHQECAY-MRVPVSSYSA-N 0 3 308.302 -0.496 20 5 DBBDHN C[NH+](C)C[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591011710 1021630427 /nfs/dbraw/zinc/63/04/27/1021630427.db2.gz GQAURDOJHQECAY-MRVPVSSYSA-N 0 3 308.302 -0.496 20 5 DBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000591982437 412511129 /nfs/dbraw/zinc/51/11/29/412511129.db2.gz LWOYGGTUYAOVDW-MRVPVSSYSA-N 0 3 309.330 -0.477 20 5 DBBDHN O=C(NC1CNC1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562827581 284016040 /nfs/dbraw/zinc/01/60/40/284016040.db2.gz GJEXTMOZBXZCRY-UHFFFAOYSA-N 0 3 304.306 -0.433 20 5 DBBDHN C[C@H](CN)NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562829268 284016608 /nfs/dbraw/zinc/01/66/08/284016608.db2.gz AATIRDQBMKOHMC-SECBINFHSA-N 0 3 306.322 -0.057 20 5 DBBDHN COCCn1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000564076034 284054529 /nfs/dbraw/zinc/05/45/29/284054529.db2.gz CYQPMNFZKQLNGL-CYBMUJFWSA-N 0 3 324.341 -0.215 20 5 DBBDHN CC(C)[C@H](N)C(=O)NCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000565599478 284099902 /nfs/dbraw/zinc/09/99/02/284099902.db2.gz KMBSBDZKEAYITP-NSHDSACASA-N 0 3 312.330 -0.993 20 5 DBBDHN O=C(COC1CNC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000577749607 374265509 /nfs/dbraw/zinc/26/55/09/374265509.db2.gz IXLKZAZBPIOTNZ-UHFFFAOYSA-N 0 3 309.326 -0.057 20 5 DBBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(CO)CO ZINC000157514101 374287649 /nfs/dbraw/zinc/28/76/49/374287649.db2.gz SUUVVPFFZIMYBT-NSHDSACASA-N 0 3 302.331 -0.925 20 5 DBBDHN CCC[C@H](O)[C@H](CO)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579474578 374557789 /nfs/dbraw/zinc/55/77/89/374557789.db2.gz FCQFSHBTEIGEKE-SRVKXCTJSA-N 0 3 302.331 -0.736 20 5 DBBDHN Cn1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579853097 374614209 /nfs/dbraw/zinc/61/42/09/374614209.db2.gz CCDGCGQTSAWZCW-DTWKUNHWSA-N 0 3 307.310 -0.683 20 5 DBBDHN O=C1C[C@@]2(CN1)CCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000362410272 375009170 /nfs/dbraw/zinc/00/91/70/375009170.db2.gz MLEKJURHQHVPOX-TZMCWYRMSA-N 0 3 323.353 -0.246 20 5 DBBDHN COCCN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000264461919 375530760 /nfs/dbraw/zinc/53/07/60/375530760.db2.gz DXNAHNPPDCJMLZ-NSHDSACASA-N 0 3 311.342 -0.063 20 5 DBBDHN COCCN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000264461916 375531621 /nfs/dbraw/zinc/53/16/21/375531621.db2.gz DXNAHNPPDCJMLZ-LLVKDONJSA-N 0 3 311.342 -0.063 20 5 DBBDHN CN1C[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000590446967 375541816 /nfs/dbraw/zinc/54/18/16/375541816.db2.gz XPUOUPBYCAYPFI-PWSUYJOCSA-N 0 3 306.322 -0.081 20 5 DBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000592878535 375825741 /nfs/dbraw/zinc/82/57/41/375825741.db2.gz FKGWPUGYASPXCS-JTQLQIEISA-N 0 3 324.341 -0.630 20 5 DBBDHN N[C@H]1C[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000594874248 375967217 /nfs/dbraw/zinc/96/72/17/375967217.db2.gz QEQZEGRGRDFETB-STQMWFEESA-N 0 3 318.333 -0.092 20 5 DBBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)nc1 ZINC000595104060 375973494 /nfs/dbraw/zinc/97/34/94/375973494.db2.gz DMEWOPRONTYEBA-UHFFFAOYSA-N 0 3 315.355 -0.827 20 5 DBBDHN CCc1[nH]nc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594393428 375924523 /nfs/dbraw/zinc/92/45/23/375924523.db2.gz MNOQVKAUZGPYCR-DTWKUNHWSA-N 0 3 309.326 -0.229 20 5 DBBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000597575272 376150460 /nfs/dbraw/zinc/15/04/60/376150460.db2.gz WGQSOUPDFREDOS-ZDUSSCGKSA-N 0 3 311.342 -0.143 20 5 DBBDHN Nc1nc(N)nc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000599068046 376240089 /nfs/dbraw/zinc/24/00/89/376240089.db2.gz BDAUGIMWRNXOHX-UHFFFAOYSA-N 0 3 303.282 -0.127 20 5 DBBDHN NC(=O)CCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570037719 376691705 /nfs/dbraw/zinc/69/17/05/376691705.db2.gz WOHSVABNBRHKIG-UHFFFAOYSA-N 0 3 316.339 -0.662 20 5 DBBDHN C[C@H](CN)N(C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000571896717 376780501 /nfs/dbraw/zinc/78/05/01/376780501.db2.gz FLRBSEDXWWAPAE-SNVBAGLBSA-N 0 3 324.337 -0.105 20 5 DBBDHN COC(=O)[C@@H](O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571801271 376769339 /nfs/dbraw/zinc/76/93/39/376769339.db2.gz SSBPHAXDFDXXGD-PWSUYJOCSA-N 0 3 314.294 -0.542 20 5 DBBDHN C[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262439751 376928571 /nfs/dbraw/zinc/92/85/71/376928571.db2.gz NCKYWYBNDUDREL-QMMMGPOBSA-N 0 3 316.339 -0.664 20 5 DBBDHN [NH3+]CCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262465475 376938371 /nfs/dbraw/zinc/93/83/71/376938371.db2.gz LUYPRILVZITYTF-UHFFFAOYSA-N 0 3 316.339 -0.662 20 5 DBBDHN CCO[C@@H]1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1OC ZINC000573795890 377143924 /nfs/dbraw/zinc/14/39/24/377143924.db2.gz SJSXBBSHYBDZOH-WUHRBBMRSA-N 0 3 314.342 -0.066 20 5 DBBDHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269881736 379937217 /nfs/dbraw/zinc/93/72/17/379937217.db2.gz INEVGPSKUZEWLH-CQSZACIVSA-N 0 3 324.337 -0.038 20 5 DBBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)C[C@H]1CN ZINC000162305521 380163162 /nfs/dbraw/zinc/16/31/62/380163162.db2.gz GNWQDPRDSINYRG-LLVKDONJSA-N 0 3 310.358 -0.409 20 5 DBBDHN CNC(=O)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075721469 380373325 /nfs/dbraw/zinc/37/33/25/380373325.db2.gz MPMONXFZGMBBHL-PWSUYJOCSA-N 0 3 311.342 -0.390 20 5 DBBDHN COCCO[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000249427412 380840832 /nfs/dbraw/zinc/84/08/32/380840832.db2.gz YLYYFCNVVZNOSV-CHWSQXEVSA-N 0 3 314.342 -0.111 20 5 DBBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC(=O)N(C)C1 ZINC000581288871 382139087 /nfs/dbraw/zinc/13/90/87/382139087.db2.gz PDDYCUIKHDDHBC-ZYHUDNBSSA-N 0 3 311.342 -0.295 20 5 DBBDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533557358 382568945 /nfs/dbraw/zinc/56/89/45/382568945.db2.gz PWTYYPPHVFTYHW-LLVKDONJSA-N 0 3 318.355 -0.419 20 5 DBBDHN CO[C@@H](CN)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353478230 382641160 /nfs/dbraw/zinc/64/11/60/382641160.db2.gz FBTJUZVHBZGLHQ-ONGXEEELSA-N 0 3 309.326 -0.024 20 5 DBBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)CN1CCN(C)CC1 ZINC000356461045 382644488 /nfs/dbraw/zinc/64/44/88/382644488.db2.gz RHLVBLZCUIRVHK-NSHDSACASA-N 0 3 324.385 -0.058 20 5 DBBDHN C[C@@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000132245912 382637936 /nfs/dbraw/zinc/63/79/36/382637936.db2.gz NEGNVWAVALLHQW-SECBINFHSA-N 0 3 303.340 -0.157 20 5 DBBDHN CO[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1OC ZINC000488069224 392000006 /nfs/dbraw/zinc/00/00/06/392000006.db2.gz DZBDDUYEERWPGD-IJLUTSLNSA-N 0 3 300.315 -0.502 20 5 DBBDHN Cc1ccc(NCCCNC(=O)C(=O)NCCN)c([N+](=O)[O-])c1 ZINC000419454385 392139682 /nfs/dbraw/zinc/13/96/82/392139682.db2.gz MGHWAVAIQIYOMK-UHFFFAOYSA-N 0 3 323.353 -0.104 20 5 DBBDHN CN1CCN(CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000340195257 131133139 /nfs/dbraw/zinc/13/31/39/131133139.db2.gz CWHDJAUEBNDJCA-UHFFFAOYSA-N 0 3 310.358 -0.455 20 5 DBBDHN NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000285480898 131172559 /nfs/dbraw/zinc/17/25/59/131172559.db2.gz ONWREJFHMCVZFH-VIFPVBQESA-N 0 3 310.314 -0.613 20 5 DBBDHN NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000285480898 131172561 /nfs/dbraw/zinc/17/25/61/131172561.db2.gz ONWREJFHMCVZFH-VIFPVBQESA-N 0 3 310.314 -0.613 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](CO)CN1CCCCC1 ZINC000288441345 131325212 /nfs/dbraw/zinc/32/52/12/131325212.db2.gz IOMFCXMQUYSXNS-NSHDSACASA-N 0 3 311.342 -0.246 20 5 DBBDHN Cc1n[nH]c(C(=O)N2CCN(C(=O)CN(C)C)CC2)c1[N+](=O)[O-] ZINC000299495644 132108183 /nfs/dbraw/zinc/10/81/83/132108183.db2.gz BHSDCSIZAANVTO-UHFFFAOYSA-N 0 3 324.341 -0.528 20 5 DBBDHN Cc1n[n-]c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000299495644 132108185 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CC(COC(=O)CNC(=O)CNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497059814 266253548 /nfs/dbraw/zinc/25/35/48/266253548.db2.gz ZDNRQOKTCRFMHI-MRVPVSSYSA-N 0 3 319.314 -0.164 20 5 DBBDHN CCO[C@@H]1COC[C@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516762813 266284993 /nfs/dbraw/zinc/28/49/93/266284993.db2.gz PTAUROUAFRBIQR-QJPTWQEYSA-N 0 3 300.315 -0.454 20 5 DBBDHN C[C@@H](O)[C@@H](CO)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517936195 266297875 /nfs/dbraw/zinc/29/78/75/266297875.db2.gz SFVQNOGSFRBMJD-OUAUKWLOSA-N 0 3 300.311 -0.334 20 5 DBBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)NCCN(C)C ZINC000583285357 337305452 /nfs/dbraw/zinc/30/54/52/337305452.db2.gz UKCMALIMJVSKAK-VIFPVBQESA-N 0 3 323.353 -0.027 20 5 DBBDHN N[C@H]1C[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000584540702 337359598 /nfs/dbraw/zinc/35/95/98/337359598.db2.gz INZQTKXURNKBLI-RYUDHWBXSA-N 0 3 318.333 -0.092 20 5 DBBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1OC ZINC000573795891 341739561 /nfs/dbraw/zinc/73/95/61/341739561.db2.gz SJSXBBSHYBDZOH-XQHKEYJVSA-N 0 3 314.342 -0.066 20 5 DBBDHN CC(C(=O)NC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000338225323 524155855 /nfs/dbraw/zinc/15/58/55/524155855.db2.gz KNUBXAHMUZZMQS-LURJTMIESA-N 0 3 301.280 -0.048 20 5 DBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCSC[C@@H]2CCO)c1 ZINC000347384675 527415650 /nfs/dbraw/zinc/41/56/50/527415650.db2.gz WZDNTFSNOBYLHR-JQWIXIFHSA-N 0 3 316.383 -0.048 20 5 DBBDHN C[NH+](C)C[C@@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736763699 598497017 /nfs/dbraw/zinc/49/70/17/598497017.db2.gz NSPGWBMBDYPVQF-QMMMGPOBSA-N 0 3 308.302 -0.496 20 5 DBBDHN C[NH+](C)C[C@@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736763699 598497019 /nfs/dbraw/zinc/49/70/19/598497019.db2.gz NSPGWBMBDYPVQF-QMMMGPOBSA-N 0 3 308.302 -0.496 20 5 DBBDHN Cc1ncc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001025776126 665085842 /nfs/dbraw/zinc/08/58/42/665085842.db2.gz ZLDGBWGXOAZSNQ-RGDJUOJXSA-N 0 3 317.349 -0.003 20 5 DBBDHN Cc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])ncn1 ZINC001025775910 665085900 /nfs/dbraw/zinc/08/59/00/665085900.db2.gz PVTKVCNXUIHUPM-RGDJUOJXSA-N 0 3 317.349 -0.003 20 5 DBBDHN Cc1cc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n[nH]1 ZINC000974012672 665155458 /nfs/dbraw/zinc/15/54/58/665155458.db2.gz UJKRULNHISUROG-RBLKWDMZSA-N 0 3 321.337 -0.311 20 5 DBBDHN Cc1cc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]n1 ZINC000974012672 665155461 /nfs/dbraw/zinc/15/54/61/665155461.db2.gz UJKRULNHISUROG-RBLKWDMZSA-N 0 3 321.337 -0.311 20 5 DBBDHN Cc1cncn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974116488 665169896 /nfs/dbraw/zinc/16/98/96/665169896.db2.gz OUTJMAFLXUHMNB-WRWGMCAJSA-N 0 3 321.337 -0.380 20 5 DBBDHN COC(=O)N(C)CCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000852571341 805967890 /nfs/dbraw/zinc/96/78/90/805967890.db2.gz XSHCKVJDQIZKBN-LLVKDONJSA-N 0 3 315.330 -0.218 20 5 DBBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cn1ncnn1 ZINC001317587686 806196116 /nfs/dbraw/zinc/19/61/16/806196116.db2.gz SDEIWCGFSFGHFN-UHFFFAOYSA-N 0 3 319.325 -0.171 20 5 DBBDHN CN1CCN(CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC001317982690 806247345 /nfs/dbraw/zinc/24/73/45/806247345.db2.gz OMTVXYYASUDPRW-UHFFFAOYSA-N 0 3 324.385 -0.065 20 5 DBBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000861342899 806264841 /nfs/dbraw/zinc/26/48/41/806264841.db2.gz DXOXGYQZHWXEOG-SKDRFNHKSA-N 0 3 313.314 -0.161 20 5 DBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001318164675 806269543 /nfs/dbraw/zinc/26/95/43/806269543.db2.gz LWTDLCNMOQGDOQ-VHSXEESVSA-N 0 3 310.314 -0.834 20 5 DBBDHN CON(C)C(=O)[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000863586098 806366575 /nfs/dbraw/zinc/36/65/75/806366575.db2.gz ATXDBDIWCLGCDL-SCZZXKLOSA-N 0 3 301.303 -0.850 20 5 DBBDHN CNS(=O)(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813108811 805025165 /nfs/dbraw/zinc/02/51/65/805025165.db2.gz AQNZYVHJSAPOBW-QMMMGPOBSA-N 0 3 309.344 -0.629 20 5 DBBDHN CC(COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[N+](=O)[O-] ZINC000813099726 805026125 /nfs/dbraw/zinc/02/61/25/805026125.db2.gz BHNZXOUPEYVBGV-ZETCQYMHSA-N 0 3 322.277 -0.546 20 5 DBBDHN CS(=O)(=O)NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818947729 805117952 /nfs/dbraw/zinc/11/79/52/805117952.db2.gz HRSLNLANKLUNNX-NSHDSACASA-N 0 3 303.340 -0.233 20 5 DBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCN1C1CCOCC1 ZINC001289227860 805217996 /nfs/dbraw/zinc/21/79/96/805217996.db2.gz XYSXEDYLBXPMAP-LLVKDONJSA-N 0 3 324.341 -0.444 20 5 DBBDHN NC(=O)C(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001049020061 817510045 /nfs/dbraw/zinc/51/00/45/817510045.db2.gz WXTVJNIOIJIIFQ-TXEJJXNPSA-N 0 3 318.333 -0.030 20 5 DBBDHN O=C(CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)N1CCC1 ZINC001072727037 820995786 /nfs/dbraw/zinc/99/57/86/820995786.db2.gz XUNODBKHPWPCOU-VXGBXAGGSA-N 0 3 322.365 -0.582 20 5 DBBDHN CCn1nncc1CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001274016505 833007315 /nfs/dbraw/zinc/00/73/15/833007315.db2.gz NWUMJASTGHFWAL-BLDJZWNYSA-N 0 3 308.342 -0.275 20 5 DBBDHN CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CN1CCCC1 ZINC001101633490 827127699 /nfs/dbraw/zinc/12/76/99/827127699.db2.gz UZFSVYQHELATEV-UHFFFAOYSA-N 0 3 323.357 -0.067 20 5 DBBDHN COc1nc(N(C2CNC2)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC001166966738 833287388 /nfs/dbraw/zinc/28/73/88/833287388.db2.gz GNEBVBDFDQITHN-UHFFFAOYSA-N 0 3 302.312 -0.264 20 5 DBBDHN COc1cc(N(C2CNC2)S(C)(=O)=O)ncc1[N+](=O)[O-] ZINC001166969838 833288414 /nfs/dbraw/zinc/28/84/14/833288414.db2.gz YLWBEAXVDJWLDQ-UHFFFAOYSA-N 0 3 302.312 -0.264 20 5 DBBDHN CN1CCN(CC2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC001117775483 829014577 /nfs/dbraw/zinc/01/45/77/829014577.db2.gz SNHRPFOKVMEVAV-UHFFFAOYSA-N 0 3 322.369 -0.503 20 5 DBBDHN Cc1nn(CCC(=O)NCCN(C)CCO)c(C)c1[N+](=O)[O-] ZINC001155251687 831924363 /nfs/dbraw/zinc/92/43/63/831924363.db2.gz WDOWVAIYWUEOQN-UHFFFAOYSA-N 0 3 313.358 -0.161 20 5 DBBDHN COCc1noc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157761406 832061577 /nfs/dbraw/zinc/06/15/77/832061577.db2.gz RAXLPEHTCKELAO-RKDXNWHRSA-N 0 3 313.314 -0.523 20 5 DBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCCN(CCCO)C1 ZINC001158483750 832116471 /nfs/dbraw/zinc/11/64/71/832116471.db2.gz SFSQBNLWVWUAKU-JTQLQIEISA-N 0 3 312.330 -0.851 20 5 DBBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F ZINC001261495163 834795005 /nfs/dbraw/zinc/79/50/05/834795005.db2.gz ULHRLYZSAZIWPE-JTQLQIEISA-N 0 3 316.264 -0.130 20 5 DBBDHN CCNC(=O)CN1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001265192320 835104643 /nfs/dbraw/zinc/10/46/43/835104643.db2.gz XIHCPCIZCCUWAY-VXGBXAGGSA-N 0 3 312.370 -0.290 20 5 DBBDHN Cn1c(C[N+](=O)[O-])nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001350599402 980586339 /nfs/dbraw/zinc/58/63/39/980586339.db2.gz UCXDKHAGCJXQCB-NSHDSACASA-N 0 3 310.358 -0.250 20 5 DBBDHN Cc1cncn1CC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001356822984 980995948 /nfs/dbraw/zinc/99/59/48/980995948.db2.gz MRFUVCIOQDWQLW-VXGBXAGGSA-N 0 3 321.337 -0.569 20 5 DBBDHN CN1CCNC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001357561332 981069924 /nfs/dbraw/zinc/06/99/24/981069924.db2.gz UUQCLRGIPSLLDH-LBPRGKRZSA-N 0 3 322.369 -0.142 20 5 DBBDHN CCCCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491313466 1015345413 /nfs/dbraw/zinc/34/54/13/1015345413.db2.gz AVRIPGRIGDLGDI-DIACKHNESA-N 0 3 324.381 -0.386 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN(CCCO)C1 ZINC001556662688 1015928348 /nfs/dbraw/zinc/92/83/48/1015928348.db2.gz KVZAWIGIMLYKTH-LLVKDONJSA-N 0 3 311.342 -0.246 20 5 DBBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001593471755 1016895100 /nfs/dbraw/zinc/89/51/00/1016895100.db2.gz YKPHJOSYWXFXCB-DTORHVGOSA-N 0 3 302.298 -0.175 20 5 DBBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001593471755 1016895109 /nfs/dbraw/zinc/89/51/09/1016895109.db2.gz YKPHJOSYWXFXCB-DTORHVGOSA-N 0 3 302.298 -0.175 20 5 DBBDHN CCN(CCNC(=O)CCc1nnc[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496699617 1017005301 /nfs/dbraw/zinc/00/53/01/1017005301.db2.gz HHDPLJGKHSUKLQ-NXEZZACHSA-N 0 3 324.341 -0.633 20 5 DBBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H](O)[C@H](CO)C1 ZINC001460219536 1009076742 /nfs/dbraw/zinc/07/67/42/1009076742.db2.gz AHJPJRPHLZIIBN-LOWVWBTDSA-N 0 3 312.322 -0.381 20 5 DBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCCN1CCO ZINC001450022032 1010616114 /nfs/dbraw/zinc/61/61/14/1010616114.db2.gz PWUVWRAUZPQVMK-JTQLQIEISA-N 0 3 312.330 -0.851 20 5 DBBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)n1 ZINC001586991979 1021080950 /nfs/dbraw/zinc/08/09/50/1021080950.db2.gz HPMCFCDARAFFIM-VIFPVBQESA-N 0 3 311.342 -0.097 20 5 DBBDHN Cc1ncc(CNCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001569932948 1025417533 /nfs/dbraw/zinc/41/75/33/1025417533.db2.gz IYEMTQVKHPTPGT-VXGBXAGGSA-N 0 3 312.326 -0.441 20 5 DBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000591982438 412526691 /nfs/dbraw/zinc/52/66/91/412526691.db2.gz LWOYGGTUYAOVDW-QMMMGPOBSA-N 0 3 309.330 -0.477 20 5 DBBDHN Cc1n[nH]c(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000560506400 283993396 /nfs/dbraw/zinc/99/33/96/283993396.db2.gz AHOMDVIGMKSLIK-CYBMUJFWSA-N 0 3 309.326 -0.187 20 5 DBBDHN C[C@@H]1C[C@@H]1N1C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000562992997 284018941 /nfs/dbraw/zinc/01/89/41/284018941.db2.gz ZVXNGNYSORTJPO-DNIRFERGSA-N 0 3 323.353 -0.249 20 5 DBBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](CN)C1 ZINC000563212548 284029307 /nfs/dbraw/zinc/02/93/07/284029307.db2.gz YTTQRUGAGSFDEA-MRVPVSSYSA-N 0 3 320.396 -0.080 20 5 DBBDHN COC[C@H](CO)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564656188 284064121 /nfs/dbraw/zinc/06/41/21/284064121.db2.gz IZEPEBNBZRBRSH-JQWIXIFHSA-N 0 3 300.311 -0.069 20 5 DBBDHN Nc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000564739581 284066296 /nfs/dbraw/zinc/06/62/96/284066296.db2.gz JZRBUTYMAIOCMR-SCZZXKLOSA-N 0 3 319.321 -0.439 20 5 DBBDHN CC(CO)(CO)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564799257 284067224 /nfs/dbraw/zinc/06/72/24/284067224.db2.gz QMYJJZFMKJEKAA-LLVKDONJSA-N 0 3 314.338 -0.085 20 5 DBBDHN C[C@@H](O)[C@@H](CO)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564974782 284075071 /nfs/dbraw/zinc/07/50/71/284075071.db2.gz HYCGKCTXLDXLSM-SUZMYJTESA-N 0 3 300.311 -0.334 20 5 DBBDHN NCCN(CCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578013350 374290207 /nfs/dbraw/zinc/29/02/07/374290207.db2.gz OGBVLCZYUUQEHA-UHFFFAOYSA-N 0 3 317.367 -0.379 20 5 DBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](OCCO)C2)c1 ZINC000247511936 374806861 /nfs/dbraw/zinc/80/68/61/374806861.db2.gz MOVRCFSCPUDSQW-QWHCGFSZSA-N 0 3 314.342 -0.375 20 5 DBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860031 374768671 /nfs/dbraw/zinc/76/86/71/374768671.db2.gz BLPLCGGXTKQLJW-AAEUAGOBSA-N 0 3 323.353 -0.151 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588861940 374769192 /nfs/dbraw/zinc/76/91/92/374769192.db2.gz ZMLLHYPWHATPIV-ZYHUDNBSSA-N 0 3 309.326 -0.541 20 5 DBBDHN C[C@@H]1OCC[C@@H]1N(CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361585610 374777072 /nfs/dbraw/zinc/77/70/72/374777072.db2.gz QFTBJJXGKDYKMH-DRZSPHRISA-N 0 3 314.342 -0.376 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363195371 375043894 /nfs/dbraw/zinc/04/38/94/375043894.db2.gz BQYYQWNCIHTYAW-ZYHUDNBSSA-N 0 3 309.326 -0.229 20 5 DBBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)NCCN(C)C ZINC000590371185 375528220 /nfs/dbraw/zinc/52/82/20/375528220.db2.gz HHSJCZXPBGYFLO-SECBINFHSA-N 0 3 311.342 -0.271 20 5 DBBDHN Cc1n[nH]c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592878561 375826553 /nfs/dbraw/zinc/82/65/53/375826553.db2.gz GKNQASNCFDUTKK-VIFPVBQESA-N 0 3 324.341 -0.182 20 5 DBBDHN Cc1[nH]nc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592878561 375826558 /nfs/dbraw/zinc/82/65/58/375826558.db2.gz GKNQASNCFDUTKK-VIFPVBQESA-N 0 3 324.341 -0.182 20 5 DBBDHN CN(C)CCN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000593053077 375845830 /nfs/dbraw/zinc/84/58/30/375845830.db2.gz WRFHYGPCFHFHLE-UHFFFAOYSA-N 0 3 310.358 -0.503 20 5 DBBDHN CN(C)CCN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1=O ZINC000593234766 375852331 /nfs/dbraw/zinc/85/23/31/375852331.db2.gz HPJKXSMGEUJWQL-UHFFFAOYSA-N 0 3 324.341 -0.826 20 5 DBBDHN CN(C)CCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1=O ZINC000593235702 375853126 /nfs/dbraw/zinc/85/31/26/375853126.db2.gz VBQBVBVLMOWRNA-UHFFFAOYSA-N 0 3 324.341 -0.976 20 5 DBBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594391727 375924585 /nfs/dbraw/zinc/92/45/85/375924585.db2.gz CKWKARXABOSJEM-NWDGAFQWSA-N 0 3 323.353 -0.233 20 5 DBBDHN Cc1nn(CCC(=O)N2CCOC3(CNC3)C2)c(C)c1[N+](=O)[O-] ZINC000596099272 376072661 /nfs/dbraw/zinc/07/26/61/376072661.db2.gz QVPWAICFRPFLKT-UHFFFAOYSA-N 0 3 323.353 -0.001 20 5 DBBDHN 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CN1CCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000281738001 374421855 /nfs/dbraw/zinc/42/18/55/374421855.db2.gz JUEOWPVQYAHTJX-UHFFFAOYSA-N 0 3 324.385 -0.067 20 5 DBBDHN O=C1C[C@H]2CC[C@@H](CN1)N2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610506627 374689675 /nfs/dbraw/zinc/68/96/75/374689675.db2.gz GHRVBLBFCPYASB-JFGNBEQYSA-N 0 3 309.326 -0.495 20 5 DBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](CO)CN1CCCC1 ZINC000588869926 374768339 /nfs/dbraw/zinc/76/83/39/374768339.db2.gz QLSHKQPWFYRHKZ-NSHDSACASA-N 0 3 311.342 -0.246 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588861939 374769129 /nfs/dbraw/zinc/76/91/29/374769129.db2.gz ZMLLHYPWHATPIV-PWSUYJOCSA-N 0 3 309.326 -0.541 20 5 DBBDHN Cc1n[n-]c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588863598 374769363 /nfs/dbraw/zinc/76/93/63/374769363.db2.gz RGBDITXRECXCIV-UWVGGRQHSA-N 0 3 309.326 -0.093 20 5 DBBDHN Cc1n[n-]c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588863598 374769366 /nfs/dbraw/zinc/76/93/66/374769366.db2.gz RGBDITXRECXCIV-UWVGGRQHSA-N 0 3 309.326 -0.093 20 5 DBBDHN Cc1[nH]nc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588863598 374769369 /nfs/dbraw/zinc/76/93/69/374769369.db2.gz RGBDITXRECXCIV-UWVGGRQHSA-N 0 3 309.326 -0.093 20 5 DBBDHN Cc1n[nH]c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588863598 374769371 /nfs/dbraw/zinc/76/93/71/374769371.db2.gz RGBDITXRECXCIV-UWVGGRQHSA-N 0 3 309.326 -0.093 20 5 DBBDHN COCCN(C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000263758322 374925849 /nfs/dbraw/zinc/92/58/49/374925849.db2.gz LFEDGQXPXDBIDO-UHFFFAOYSA-N 0 3 312.326 -0.549 20 5 DBBDHN CN(C)C[C@@H](CO)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000589101403 375451359 /nfs/dbraw/zinc/45/13/59/375451359.db2.gz BTRNONZYQXXPLT-QMMMGPOBSA-N 0 3 318.355 -0.423 20 5 DBBDHN Cn1nnnc1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591757662 375744556 /nfs/dbraw/zinc/74/45/56/375744556.db2.gz WGXYQRNOMXIRLE-SNVBAGLBSA-N 0 3 322.325 -0.310 20 5 DBBDHN Cn1nnnc1CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591757575 375744895 /nfs/dbraw/zinc/74/48/95/375744895.db2.gz IEFMWNKSTVYZAK-LLVKDONJSA-N 0 3 322.325 -0.310 20 5 DBBDHN [NH3+]CCCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592445553 375804510 /nfs/dbraw/zinc/80/45/10/375804510.db2.gz QOGREGICXSWLDP-UHFFFAOYSA-N 0 3 316.339 -0.662 20 5 DBBDHN C[C@H]([NH3+])CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592547175 375811144 /nfs/dbraw/zinc/81/11/44/375811144.db2.gz RQXVKFKGKJLDJZ-QMMMGPOBSA-N 0 3 316.339 -0.664 20 5 DBBDHN O=C1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000566969192 375859275 /nfs/dbraw/zinc/85/92/75/375859275.db2.gz YCNSDKNBOJRBHJ-CABZTGNLSA-N 0 3 309.326 -0.495 20 5 DBBDHN O=C1C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000566969191 375859578 /nfs/dbraw/zinc/85/95/78/375859578.db2.gz YCNSDKNBOJRBHJ-BXKDBHETSA-N 0 3 309.326 -0.495 20 5 DBBDHN N[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[C@H]1F ZINC000595267848 375986590 /nfs/dbraw/zinc/98/65/90/375986590.db2.gz CKNZHLIJFGRURO-NXEZZACHSA-N 0 3 300.294 -0.128 20 5 DBBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC2(CNC2)C1 ZINC000596097852 376072473 /nfs/dbraw/zinc/07/24/73/376072473.db2.gz HTGBVQJRRXHTKZ-UHFFFAOYSA-N 0 3 309.326 -0.309 20 5 DBBDHN CN(C)C1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596180295 376073733 /nfs/dbraw/zinc/07/37/33/376073733.db2.gz RRHHBUDTLIYPCG-UHFFFAOYSA-N 0 3 300.340 -0.008 20 5 DBBDHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915998 376228463 /nfs/dbraw/zinc/22/84/63/376228463.db2.gz SLHWUXKMUNZJPP-NSHDSACASA-N 0 3 308.294 -0.362 20 5 DBBDHN N[C@H]1C[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CCN2C1=O ZINC000568415396 376505140 /nfs/dbraw/zinc/50/51/40/376505140.db2.gz RTCDIXFROAAKKZ-BDAKNGLRSA-N 0 3 317.309 -0.614 20 5 DBBDHN CC1(C)OCC(CO)(NCCn2ccc([N+](=O)[O-])n2)CO1 ZINC000291103283 376512751 /nfs/dbraw/zinc/51/27/51/376512751.db2.gz JNNIDYBWWUHHKS-UHFFFAOYSA-N 0 3 300.315 -0.105 20 5 DBBDHN O=C1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCCN12 ZINC000568859497 376608352 /nfs/dbraw/zinc/60/83/52/376608352.db2.gz MXZNJQTXDRFRQW-AGIUHOORSA-N 0 3 323.353 -0.105 20 5 DBBDHN Cc1nn(CCC(=O)NC[C@H]2CNCCO2)c(C)c1[N+](=O)[O-] ZINC000572713963 377036396 /nfs/dbraw/zinc/03/63/96/377036396.db2.gz PAQNNSQXORNIKK-LLVKDONJSA-N 0 3 311.342 -0.097 20 5 DBBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000574338260 378056764 /nfs/dbraw/zinc/05/67/64/378056764.db2.gz RFUZGKOCMLRSND-CYBMUJFWSA-N 0 3 309.326 -0.485 20 5 DBBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358047583 378398697 /nfs/dbraw/zinc/39/86/97/378398697.db2.gz LVZGNGWRDSEVEJ-ZDUSSCGKSA-N 0 3 311.342 -0.327 20 5 DBBDHN CCS(=O)(=O)C[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584775749 379841338 /nfs/dbraw/zinc/84/13/38/379841338.db2.gz RSTVMFJFUZJEIM-MWLCHTKSSA-N 0 3 320.371 -0.435 20 5 DBBDHN CN(C)C[C@]1(O)CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000619255422 379813642 /nfs/dbraw/zinc/81/36/42/379813642.db2.gz YFXOJRPNSCFOTH-CYBMUJFWSA-N 0 3 311.342 -0.294 20 5 DBBDHN COc1ccc(NC(=O)CCNC(CO)CO)c([N+](=O)[O-])c1 ZINC000581556876 382157421 /nfs/dbraw/zinc/15/74/21/382157421.db2.gz UEQXZECMKKKDEC-UHFFFAOYSA-N 0 3 313.310 -0.125 20 5 DBBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)CN1CCN(C)CC1 ZINC000356461042 382644521 /nfs/dbraw/zinc/64/45/21/382644521.db2.gz RHLVBLZCUIRVHK-LLVKDONJSA-N 0 3 324.385 -0.058 20 5 DBBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000226615195 382637076 /nfs/dbraw/zinc/63/70/76/382637076.db2.gz BSDUXGXDOLTODS-NSHDSACASA-N 0 3 314.367 -0.142 20 5 DBBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)CN1CCN(C)CC1 ZINC000193571183 391975318 /nfs/dbraw/zinc/97/53/18/391975318.db2.gz JSFIOUSVDRQXJX-GFCCVEGCSA-N 0 3 324.385 -0.209 20 5 DBBDHN CN(CC[NH3+])C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423993553 392141953 /nfs/dbraw/zinc/14/19/53/392141953.db2.gz AXPFFKPKJFSRQL-UHFFFAOYSA-N 0 3 316.339 -0.710 20 5 DBBDHN CN1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000350978591 392155636 /nfs/dbraw/zinc/15/56/36/392155636.db2.gz HAHRDAZCCDFGPI-UHFFFAOYSA-N 0 3 309.326 -0.242 20 5 DBBDHN CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000226616506 392156800 /nfs/dbraw/zinc/15/68/00/392156800.db2.gz GIWNUGBTIREEAD-NSHDSACASA-N 0 3 314.367 -0.142 20 5 DBBDHN CN1CC[NH2+]C[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000394451266 392363476 /nfs/dbraw/zinc/36/34/76/392363476.db2.gz LTJOJKPKYUQWPE-JTQLQIEISA-N 0 3 314.367 -0.223 20 5 DBBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)CN1CCN(C)CC1 ZINC000285531065 131177337 /nfs/dbraw/zinc/17/73/37/131177337.db2.gz KWOHUQDDMQCTPE-SNVBAGLBSA-N 0 3 310.358 -0.069 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](CO)CN1CCCCC1 ZINC000288441342 131325252 /nfs/dbraw/zinc/32/52/52/131325252.db2.gz IOMFCXMQUYSXNS-LLVKDONJSA-N 0 3 311.342 -0.246 20 5 DBBDHN [NH3+]CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262726462 392560383 /nfs/dbraw/zinc/56/03/83/392560383.db2.gz ASZHCTONDXEBIV-UHFFFAOYSA-N 0 3 303.296 -0.397 20 5 DBBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566496291 392806793 /nfs/dbraw/zinc/80/67/93/392806793.db2.gz QPWRSRFBJDBMEF-WPRPVWTQSA-N 0 3 319.321 -0.439 20 5 DBBDHN CN1CCNC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000420263678 412308524 /nfs/dbraw/zinc/30/85/24/412308524.db2.gz CJXAIYZSLTTZDM-SNVBAGLBSA-N 0 3 318.337 0.559 20 5 DBBDHN CNc1nccc(C(=O)NC[C@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000565674839 412338090 /nfs/dbraw/zinc/33/80/90/412338090.db2.gz MASKXTGUVXASAT-ZDUSSCGKSA-N 0 3 311.342 0.074 20 5 DBBDHN CNc1nccc(C(=O)NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000569740743 412339043 /nfs/dbraw/zinc/33/90/43/412339043.db2.gz VKGWWEKHARMIQH-UHFFFAOYSA-N 0 3 311.342 0.340 20 5 DBBDHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361088436 418942716 /nfs/dbraw/zinc/94/27/16/418942716.db2.gz ZICALIUGPAHNPZ-NSHDSACASA-N 0 3 310.310 -0.428 20 5 DBBDHN NS(=O)(=O)c1ccc(OC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000116884216 544688468 /nfs/dbraw/zinc/68/84/68/544688468.db2.gz OTKDYAAENIUUAO-MRVPVSSYSA-N 0 3 317.323 -0.391 20 5 DBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H](O)CN1CCCCC1 ZINC000434457142 266050670 /nfs/dbraw/zinc/05/06/70/266050670.db2.gz SSEKZKOPEUGFMZ-SNVBAGLBSA-N 0 3 312.330 -0.851 20 5 DBBDHN O=C1C[C@]2(CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)CN1 ZINC000434759597 266055161 /nfs/dbraw/zinc/05/51/61/266055161.db2.gz WUEWBGCYZFQXSD-CQSZACIVSA-N 0 3 306.322 -0.032 20 5 DBBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H](O)C[C@H]1CO ZINC000274154827 280375635 /nfs/dbraw/zinc/37/56/35/280375635.db2.gz JNCHACORGSTPLD-QJPTWQEYSA-N 0 3 312.322 -0.238 20 5 DBBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1CNC1 ZINC000569336280 331817450 /nfs/dbraw/zinc/81/74/50/331817450.db2.gz MYROYLHVUIUAHM-UHFFFAOYSA-N 0 3 312.713 -0.048 20 5 DBBDHN O=C(CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000317412524 332720608 /nfs/dbraw/zinc/72/06/08/332720608.db2.gz 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CC(C(=O)NC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000338225325 526021761 /nfs/dbraw/zinc/02/17/61/526021761.db2.gz KNUBXAHMUZZMQS-ZCFIWIBFSA-N 0 3 301.280 -0.048 20 5 DBBDHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000358096388 536475378 /nfs/dbraw/zinc/47/53/78/536475378.db2.gz QYGKALFLZYDVSY-CQSZACIVSA-N 0 3 322.321 -0.284 20 5 DBBDHN COCCOCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000289120237 536493881 /nfs/dbraw/zinc/49/38/81/536493881.db2.gz WXCNFHRMKMDTBE-LBPRGKRZSA-N 0 3 302.331 -0.253 20 5 DBBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000157371281 527392539 /nfs/dbraw/zinc/39/25/39/527392539.db2.gz QJDXBJINZNOISU-JTQLQIEISA-N 0 3 301.324 -0.139 20 5 DBBDHN COC[C@@](C)([NH3+])CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736969598 598914454 /nfs/dbraw/zinc/91/44/54/598914454.db2.gz WXFARWSFMXJWEN-NSHDSACASA-N 0 3 308.302 -0.054 20 5 DBBDHN COC[C@@](C)([NH3+])CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736969598 598914456 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308.342 -0.535 20 5 DBBDHN CCCN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001094290731 826223004 /nfs/dbraw/zinc/22/30/04/826223004.db2.gz HSWYUAAFRJZNDT-VXGBXAGGSA-N 0 3 308.342 -0.174 20 5 DBBDHN Cc1ncc(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c(=O)[n-]1 ZINC001162306114 833088640 /nfs/dbraw/zinc/08/86/40/833088640.db2.gz TXPXLBWMPCZQCF-QMMMGPOBSA-N 0 3 303.282 -0.119 20 5 DBBDHN O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)CNC2 ZINC001168048620 833316658 /nfs/dbraw/zinc/31/66/58/833316658.db2.gz GZKCFRNSKOVINP-IMJCEVDSSA-N 0 3 309.322 -0.288 20 5 DBBDHN O=C(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCNCC1 ZINC001118198905 829049287 /nfs/dbraw/zinc/04/92/87/829049287.db2.gz YPWMJROBEZXURZ-UHFFFAOYSA-N 0 3 322.369 -0.140 20 5 DBBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])o1)CCOCCO ZINC001175822786 833397277 /nfs/dbraw/zinc/39/72/77/833397277.db2.gz QUKRPTDXNRAHIK-UHFFFAOYSA-N 0 3 301.299 -0.142 20 5 DBBDHN Cc1nc(CC(=O)NCCNCc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC001126912801 829967212 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CCN(CC)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001480391544 1010623635 /nfs/dbraw/zinc/62/36/35/1010623635.db2.gz PRPGZSRSFHCUBH-DIACKHNESA-N 0 3 324.381 -0.434 20 5 DBBDHN Cc1cncn1CC(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001580760512 1020797483 /nfs/dbraw/zinc/79/74/83/1020797483.db2.gz VTDQDZWEGIKMDL-GHMZBOCLSA-N 0 3 309.326 -0.569 20 5 DBBDHN CCN(CCNC(=O)CCc1c[nH]cn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581115388 1020824576 /nfs/dbraw/zinc/82/45/76/1020824576.db2.gz DIDWZVTVVKKYAQ-VXGBXAGGSA-N 0 3 323.353 -0.028 20 5 DBBDHN Nc1nccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001558548554 1023964642 /nfs/dbraw/zinc/96/46/42/1023964642.db2.gz DAGCBTVWBDVYOT-MRVPVSSYSA-N 0 3 307.310 -0.225 20 5 DBBDHN Cc1nn[nH]c1C(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C ZINC001567541844 1024776626 /nfs/dbraw/zinc/77/66/26/1024776626.db2.gz GCLJABVWNNPPED-UHFFFAOYSA-N 0 3 322.329 -0.383 20 5 DBBDHN CCn1nncc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001569400423 1025241941 /nfs/dbraw/zinc/24/19/41/1025241941.db2.gz OSXDGJKGTRILGU-GHMZBOCLSA-N 0 3 308.342 -0.298 20 5 DBBDHN C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000573695265 412503849 /nfs/dbraw/zinc/50/38/49/412503849.db2.gz FFFXOVCTKHLEBC-MRVPVSSYSA-N 0 3 324.341 -0.632 20 5 DBBDHN O=C1CCCN1[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000340976720 138102991 /nfs/dbraw/zinc/10/29/91/138102991.db2.gz RMNSOJRHTLOCJT-DGCLKSJQSA-N 0 3 323.353 -0.151 20 5 DBBDHN COCCN(CCN(C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000355216341 138139853 /nfs/dbraw/zinc/13/98/53/138139853.db2.gz DWSGXKBRFPULKP-UHFFFAOYSA-N 0 3 300.319 -0.777 20 5 DBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CN2CCN1CCC2 ZINC000372333846 138166238 /nfs/dbraw/zinc/16/62/38/138166238.db2.gz SENCPAGCNPNYRU-GFCCVEGCSA-N 0 3 308.342 -0.703 20 5 DBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CO)[C@H]2CCCO2)c1 ZINC000447922561 238344962 /nfs/dbraw/zinc/34/49/62/238344962.db2.gz PNRHYPKJYJCTCL-IJLUTSLNSA-N 0 3 300.315 -0.718 20 5 DBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCCN1CCO ZINC000452392765 238399904 /nfs/dbraw/zinc/39/99/04/238399904.db2.gz ROZBWNSHPMRXDV-LLVKDONJSA-N 0 3 311.342 -0.246 20 5 DBBDHN C[C@@H]1C[C@@H]1N1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000562992999 284019069 /nfs/dbraw/zinc/01/90/69/284019069.db2.gz ZVXNGNYSORTJPO-WFFHOREQSA-N 0 3 323.353 -0.249 20 5 DBBDHN C[C@H](CN)NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000565412873 284094614 /nfs/dbraw/zinc/09/46/14/284094614.db2.gz VHWCEUJKYPRZAM-SECBINFHSA-N 0 3 310.310 -0.447 20 5 DBBDHN C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000565694351 284102345 /nfs/dbraw/zinc/10/23/45/284102345.db2.gz WHOLETHMHMLABH-JTQLQIEISA-N 0 3 310.358 -0.069 20 5 DBBDHN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000578670969 374449640 /nfs/dbraw/zinc/44/96/40/374449640.db2.gz LZZZOXGNXLHBDT-SECBINFHSA-N 0 3 323.353 -0.027 20 5 DBBDHN O=C1C[C@H]2CC[C@@H](CN1)N2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610506629 374689513 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