smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157339709 790403604 /nfs/dbraw/zinc/40/36/04/790403604.db2.gz KQCRNHLTOBUGNC-UHFFFAOYSA-N 0 3 267.289 -0.011 20 5 CBBDHN O=C(NC[C@H]1C[C@@H](NCc2cnon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084222 810241178 /nfs/dbraw/zinc/24/11/78/810241178.db2.gz IGXCDQWHMJWEAS-JZSSXWJLSA-N 0 3 295.299 -0.281 20 5 CBBDHN O=C(NC[C@H]1C[C@H](NCc2cnon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363224 810265532 /nfs/dbraw/zinc/26/55/32/810265532.db2.gz IGXCDQWHMJWEAS-YJFSRANCSA-N 0 3 295.299 -0.281 20 5 CBBDHN CC(=O)NCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122667582 813183603 /nfs/dbraw/zinc/18/36/03/813183603.db2.gz HDJQAAFCIKIKTN-UHFFFAOYSA-N 0 3 294.311 -0.063 20 5 CBBDHN Cc1cc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1C ZINC001126936849 813697883 /nfs/dbraw/zinc/69/78/83/813697883.db2.gz UOKWTRSYXCBAIX-GHMZBOCLSA-N 0 3 281.316 -0.400 20 5 CBBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC(N[C@@H]2CCOC2)C1 ZINC001304085149 816778956 /nfs/dbraw/zinc/77/89/56/816778956.db2.gz RUUWFGUIVDFOGB-SSDOTTSWSA-N 0 3 281.272 -0.479 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN2C[C@H](CCO)[C@H](CO)C2)c1 ZINC001308162970 816822706 /nfs/dbraw/zinc/82/27/06/816822706.db2.gz JXDJHJKIPRSBDC-QWRGUYRKSA-N 0 3 284.316 -0.286 20 5 CBBDHN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC001319607629 817225075 /nfs/dbraw/zinc/22/50/75/817225075.db2.gz OBSYNNDBDWQRTL-SECBINFHSA-N 0 3 296.331 -0.316 20 5 CBBDHN COc1cnc(N(C)S(=O)(=O)CCN)cc1[N+](=O)[O-] ZINC001164292125 819901568 /nfs/dbraw/zinc/90/15/68/819901568.db2.gz DMLZCJBOPVMRFU-UHFFFAOYSA-N 0 3 290.301 -0.277 20 5 CBBDHN CN(c1cccc2ncc([N+](=O)[O-])n21)S(=O)(=O)CCN ZINC001164299847 819904940 /nfs/dbraw/zinc/90/49/40/819904940.db2.gz ABXFEPISVQSZOW-UHFFFAOYSA-N 0 3 299.312 -0.033 20 5 CBBDHN CN(c1cnc(F)c([N+](=O)[O-])c1)S(=O)(=O)CCN ZINC001164297378 819905421 /nfs/dbraw/zinc/90/54/21/819905421.db2.gz UTRJBOUAMRSONL-UHFFFAOYSA-N 0 3 278.265 -0.146 20 5 CBBDHN CN(c1cnc([N+](=O)[O-])cn1)S(=O)(=O)CCN ZINC001164297322 819906450 /nfs/dbraw/zinc/90/64/50/819906450.db2.gz RIWMLMYTKMNAIH-UHFFFAOYSA-N 0 3 261.263 -0.891 20 5 CBBDHN NC(=O)C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001165613315 819975595 /nfs/dbraw/zinc/97/55/95/819975595.db2.gz LVOIENDCWUZPLX-UHFFFAOYSA-N 0 3 286.313 -0.263 20 5 CBBDHN Cc1c[n+]([O-])c(-n2nncc2CN)cc1[N+](=O)[O-] ZINC001169304117 820225124 /nfs/dbraw/zinc/22/51/24/820225124.db2.gz NMRNLJCWXCZVIA-UHFFFAOYSA-N 0 3 250.218 -0.424 20 5 CBBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)n1)[C@@H]1CNCCO1 ZINC001170564565 820306165 /nfs/dbraw/zinc/30/61/65/820306165.db2.gz QGHSIZBVLIEVGX-CBAPKCEASA-N 0 3 295.299 -0.123 20 5 CBBDHN CN(CCO)CCN(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001187024454 821210431 /nfs/dbraw/zinc/21/04/31/821210431.db2.gz FNXYZJPXPLMOHG-UHFFFAOYSA-N 0 3 297.315 -0.551 20 5 CBBDHN Cc1nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(=O)[n-]1 ZINC001226510211 825280368 /nfs/dbraw/zinc/28/03/68/825280368.db2.gz JPSFMVMJCVMGEQ-SECBINFHSA-O 0 3 270.309 -0.147 20 5 CBBDHN CCNC(=O)CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227253393 825300549 /nfs/dbraw/zinc/30/05/49/825300549.db2.gz ZJAVOBMSIALHPO-GHMZBOCLSA-N 0 3 298.343 -0.632 20 5 CBBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCC(N)=O ZINC001254549647 825965134 /nfs/dbraw/zinc/96/51/34/825965134.db2.gz VPUWUXLCTLCUEQ-VIFPVBQESA-N 0 3 294.311 -0.283 20 5 CBBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCC(N)=O ZINC001254549646 825965370 /nfs/dbraw/zinc/96/53/70/825965370.db2.gz VPUWUXLCTLCUEQ-SECBINFHSA-N 0 3 294.311 -0.283 20 5 CBBDHN NC(=O)CNC(=O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588682 825967699 /nfs/dbraw/zinc/96/76/99/825967699.db2.gz HUEVHDHHIAWRHZ-SNVBAGLBSA-N 0 3 292.295 -0.747 20 5 CBBDHN Cc1nc(Cn2cc(C(=O)OCC(C)[N+](=O)[O-])nn2)no1 ZINC001263475450 826766226 /nfs/dbraw/zinc/76/62/26/826766226.db2.gz IZYVKZYQULBSPK-LURJTMIESA-N 0 3 296.243 -0.160 20 5 CBBDHN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@H]2CNCCO2)n1 ZINC001327023039 885230566 /nfs/dbraw/zinc/23/05/66/885230566.db2.gz TZPYNORYSMOHQS-ZETCQYMHSA-N 0 3 294.271 -0.091 20 5 CBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC(N[C@H]2CCOC2)C1 ZINC001456295928 914458659 /nfs/dbraw/zinc/45/86/59/914458659.db2.gz KAUPIJAQAFVHFJ-VIFPVBQESA-N 0 3 295.299 -0.619 20 5 CBBDHN CN1CCCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001439895916 911308321 /nfs/dbraw/zinc/30/83/21/911308321.db2.gz UXMQYBCKQNJHNC-SECBINFHSA-N 0 3 282.304 -0.213 20 5 CBBDHN CN1CCC(N(CCO)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001469563872 915411364 /nfs/dbraw/zinc/41/13/64/915411364.db2.gz BTZNLKBYUPRYCE-UHFFFAOYSA-N 0 3 297.315 -0.153 20 5 CBBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC(N[C@H]2CCOC2)C1 ZINC001472084061 915692089 /nfs/dbraw/zinc/69/20/89/915692089.db2.gz YRBTUHCNBOBBSU-ZETCQYMHSA-N 0 3 281.272 -0.479 20 5 CBBDHN Cc1cc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1C ZINC001493544069 919577634 /nfs/dbraw/zinc/57/76/34/919577634.db2.gz GCVZHINUDIHKSH-VXGBXAGGSA-N 0 3 295.343 -0.058 20 5 CBBDHN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001544139059 923298303 /nfs/dbraw/zinc/29/83/03/923298303.db2.gz JHNYCYIFKPTNEV-PSASIEDQSA-N 0 3 296.331 -0.318 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2CO)c1 ZINC000266561543 230193245 /nfs/dbraw/zinc/19/32/45/230193245.db2.gz XSIBUVVPAZYNGT-GXSJLCMTSA-N 0 3 270.289 -0.391 20 5 CBBDHN CN(CCOCCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337487384 214114646 /nfs/dbraw/zinc/11/46/46/214114646.db2.gz JHHCGEQRHZFULV-LLVKDONJSA-N 0 3 288.304 -0.907 20 5 CBBDHN CCN(CCO)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000274489676 352538980 /nfs/dbraw/zinc/53/89/80/352538980.db2.gz BPQHJYVPCDOTQV-UHFFFAOYSA-N 0 3 299.331 -0.470 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](O)CC2)c1 ZINC000339782176 215337753 /nfs/dbraw/zinc/33/77/53/215337753.db2.gz WXKGXNOSZBQAGF-NWDGAFQWSA-N 0 3 284.316 -0.001 20 5 CBBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)nc1 ZINC000095091928 351767603 /nfs/dbraw/zinc/76/76/03/351767603.db2.gz KRZFDGLIDPHKAJ-SSDOTTSWSA-N 0 3 272.286 -0.370 20 5 CBBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H](O)CO)cc1 ZINC000095082616 351767776 /nfs/dbraw/zinc/76/77/76/351767776.db2.gz DOASXPUDFCLNMD-QWRGUYRKSA-N 0 3 256.258 -0.429 20 5 CBBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](CN)C1 ZINC000122610815 351852354 /nfs/dbraw/zinc/85/23/54/351852354.db2.gz OWSUKRLTPXJKFH-SECBINFHSA-N 0 3 267.289 -0.362 20 5 CBBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CNCCO1 ZINC000134252828 351904210 /nfs/dbraw/zinc/90/42/10/351904210.db2.gz CSIBFVWZGBGGMT-SECBINFHSA-N 0 3 268.273 -0.349 20 5 CBBDHN Cn1c(C(=O)NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000134255634 351904802 /nfs/dbraw/zinc/90/48/02/351904802.db2.gz XTAFYVFQGYBXSR-MRVPVSSYSA-N 0 3 268.273 -0.349 20 5 CBBDHN COCCN(C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000171127102 352007702 /nfs/dbraw/zinc/00/77/02/352007702.db2.gz GCULOLAKMGCCBY-UHFFFAOYSA-N 0 3 299.331 -0.124 20 5 CBBDHN CNC(=O)CCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174844146 352051098 /nfs/dbraw/zinc/05/10/98/352051098.db2.gz ZKJQXLVYGWPWCM-UHFFFAOYSA-N 0 3 255.278 -0.141 20 5 CBBDHN CCCCN(CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173537828 352037669 /nfs/dbraw/zinc/03/76/69/352037669.db2.gz XVTQNVMAPZYHRG-NSHDSACASA-N 0 3 299.331 -0.260 20 5 CBBDHN C[C@H]1CCNC(=O)[C@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000193570211 352206688 /nfs/dbraw/zinc/20/66/88/352206688.db2.gz PIXGFPIMSZSDMY-WPRPVWTQSA-N 0 3 267.289 -0.095 20 5 CBBDHN O=C(CNC1CC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000238166012 352314581 /nfs/dbraw/zinc/31/45/81/352314581.db2.gz CROMFZBBTIPHRA-UHFFFAOYSA-N 0 3 253.262 -0.341 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](O)C2)c1 ZINC000246692767 352337684 /nfs/dbraw/zinc/33/76/84/352337684.db2.gz IOBVTAHBCCELMF-GHMZBOCLSA-N 0 3 270.289 -0.391 20 5 CBBDHN CCc1n[nH]c(C(=O)NC[C@@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000269908322 352483155 /nfs/dbraw/zinc/48/31/55/352483155.db2.gz OLMLWOCVGQQHSB-GFCCVEGCSA-N 0 3 299.331 -0.077 20 5 CBBDHN CCc1n[nH]c(C(=O)NC[C@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000269908326 352483885 /nfs/dbraw/zinc/48/38/85/352483885.db2.gz OLMLWOCVGQQHSB-LBPRGKRZSA-N 0 3 299.331 -0.077 20 5 CBBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000279690729 352585134 /nfs/dbraw/zinc/58/51/34/352585134.db2.gz GBSAQVXVZXYOPY-QWRGUYRKSA-N 0 3 284.316 -0.145 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](O)C2)c1 ZINC000330403384 352820080 /nfs/dbraw/zinc/82/00/80/352820080.db2.gz BYJJXERTCMSEHA-ZJUUUORDSA-N 0 3 256.262 -0.781 20 5 CBBDHN CN(C)CCOCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000349744426 353462301 /nfs/dbraw/zinc/46/23/01/353462301.db2.gz MKSWDIGEQCYWNH-UHFFFAOYSA-N 0 3 285.304 -0.514 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000358046028 353621604 /nfs/dbraw/zinc/62/16/04/353621604.db2.gz KBTCZWIFLDSBRV-LBPRGKRZSA-N 0 3 282.300 -0.270 20 5 CBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405328861 353807293 /nfs/dbraw/zinc/80/72/93/353807293.db2.gz YLSPKETWGKBZML-GXSJLCMTSA-N 0 3 295.299 -0.931 20 5 CBBDHN O=[N+]([O-])c1ccn(CCN[C@H](CO)[C@H]2CCCO2)n1 ZINC000447921926 354309366 /nfs/dbraw/zinc/30/93/66/354309366.db2.gz NBGJUSNCGNQWIC-NXEZZACHSA-N 0 3 270.289 -0.079 20 5 CBBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000563820644 354706025 /nfs/dbraw/zinc/70/60/25/354706025.db2.gz XUEKIHUMDBTGBA-GFCCVEGCSA-N 0 3 295.299 -0.496 20 5 CBBDHN COCCNCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000564083428 354709817 /nfs/dbraw/zinc/70/98/17/354709817.db2.gz JWAGLJHIVKBMQI-UHFFFAOYSA-N 0 3 257.250 -0.716 20 5 CBBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000571059010 354875637 /nfs/dbraw/zinc/87/56/37/354875637.db2.gz GTZSYUYATHMCPI-WPRPVWTQSA-N 0 3 297.315 -0.442 20 5 CBBDHN N[C@H]1C[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702586 354878897 /nfs/dbraw/zinc/87/88/97/354878897.db2.gz NMXGHLKRVDNQGH-ONGXEEELSA-N 0 3 294.315 -0.965 20 5 CBBDHN N[C@H]1C[C@H]2CN(c3ncccc3[N+](=O)[O-])CCN2C1=O ZINC000578787363 354955631 /nfs/dbraw/zinc/95/56/31/354955631.db2.gz MHXXJTGEGNADMQ-IUCAKERBSA-N 0 3 277.284 -0.262 20 5 CBBDHN O=C(NC[C@@H]1CNCCO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000582419754 355015922 /nfs/dbraw/zinc/01/59/22/355015922.db2.gz FVRJPUOVYYTURX-LURJTMIESA-N 0 3 255.234 -0.964 20 5 CBBDHN CN1C[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590044092 355073750 /nfs/dbraw/zinc/07/37/50/355073750.db2.gz GYCRAVMTCBZOMU-GXSJLCMTSA-N 0 3 279.300 -0.046 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000588863774 355062080 /nfs/dbraw/zinc/06/20/80/355062080.db2.gz KQXACLGOBMCGOR-QMMMGPOBSA-N 0 3 282.300 -0.171 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CO)CN(C)C ZINC000588863811 355062275 /nfs/dbraw/zinc/06/22/75/355062275.db2.gz VLDRCNDQHPKCTO-SECBINFHSA-N 0 3 285.304 -0.862 20 5 CBBDHN CN(C)C[C@H](CO)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000589102096 355064679 /nfs/dbraw/zinc/06/46/79/355064679.db2.gz ZQNSGMPITWOSGQ-SSDOTTSWSA-N 0 3 283.288 -0.577 20 5 CBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000591985801 355123973 /nfs/dbraw/zinc/12/39/73/355123973.db2.gz SJNKJQXZQWJIKC-VIFPVBQESA-N 0 3 294.315 -0.059 20 5 CBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1c([N+](=O)[O-])ncn1C ZINC000591982691 355124040 /nfs/dbraw/zinc/12/40/40/355124040.db2.gz PVALMENUXHNDAA-VIFPVBQESA-N 0 3 296.331 -0.116 20 5 CBBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CNC1 ZINC000592368505 355149906 /nfs/dbraw/zinc/14/99/06/355149906.db2.gz ROLCHGXEJWFHGI-UHFFFAOYSA-N 0 3 287.297 -0.147 20 5 CBBDHN COC(=O)[C@H]1CNCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000592985021 355188752 /nfs/dbraw/zinc/18/87/52/355188752.db2.gz ZZVDNRKPXPQWIH-LLVKDONJSA-N 0 3 297.315 -0.372 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000594026637 355235426 /nfs/dbraw/zinc/23/54/26/355235426.db2.gz GCWZAQAYJHSAIE-CMPLNLGQSA-N 0 3 281.316 -0.458 20 5 CBBDHN N[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1F ZINC000595260600 355275253 /nfs/dbraw/zinc/27/52/53/355275253.db2.gz FHNPDGFRQFBEMG-RKDXNWHRSA-N 0 3 271.252 -0.311 20 5 CBBDHN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595107231 355271669 /nfs/dbraw/zinc/27/16/69/355271669.db2.gz GNWVJOLQHBGPJE-ZCFIWIBFSA-N 0 3 260.275 -0.385 20 5 CBBDHN Nc1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)nc1[N+](=O)[O-] ZINC000596013651 355338711 /nfs/dbraw/zinc/33/87/11/355338711.db2.gz ITVYQHDBMIGKBY-IONNQARKSA-N 0 3 292.299 -0.680 20 5 CBBDHN CN(C)CCN(CC(=O)N(C)C)c1c([N+](=O)[O-])ncn1C ZINC000596463818 355357522 /nfs/dbraw/zinc/35/75/22/355357522.db2.gz SSQBLNQCWIOZCE-UHFFFAOYSA-N 0 3 298.347 -0.216 20 5 CBBDHN Cc1n[n-]c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600809575 355566953 /nfs/dbraw/zinc/56/69/53/355566953.db2.gz VALVALKRCBRICH-QMMMGPOBSA-N 0 3 283.288 -0.577 20 5 CBBDHN Cc1n[n-]c(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600809575 355566956 /nfs/dbraw/zinc/56/69/56/355566956.db2.gz VALVALKRCBRICH-QMMMGPOBSA-N 0 3 283.288 -0.577 20 5 CBBDHN COCCN(C)C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601966314 355623146 /nfs/dbraw/zinc/62/31/46/355623146.db2.gz ZFMMKLDKFPKXCQ-SECBINFHSA-N 0 3 258.278 -0.270 20 5 CBBDHN CN1CCC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000609257910 355766746 /nfs/dbraw/zinc/76/67/46/355766746.db2.gz RXRLTBNWXDCAMK-QMMMGPOBSA-N 0 3 268.277 -0.603 20 5 CBBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCN(C)C ZINC000550604086 283956592 /nfs/dbraw/zinc/95/65/92/283956592.db2.gz FPJJQEBMAQYLHO-QMMMGPOBSA-N 0 3 298.299 -0.016 20 5 CBBDHN Cc1nn(C)c(C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000330622839 203051826 /nfs/dbraw/zinc/05/18/26/203051826.db2.gz DFIRBFZEAUSKPE-UHFFFAOYSA-N 0 3 255.278 -0.072 20 5 CBBDHN CN(C)C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 ZINC000330650997 203079908 /nfs/dbraw/zinc/07/99/08/203079908.db2.gz JYUSCFYZWGVLFX-VIFPVBQESA-N 0 3 297.315 -0.269 20 5 CBBDHN CCN1CCC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330662290 203091400 /nfs/dbraw/zinc/09/14/00/203091400.db2.gz SHDRNJBQUCFCTO-VIFPVBQESA-N 0 3 282.304 -0.213 20 5 CBBDHN CN1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000330755449 203193832 /nfs/dbraw/zinc/19/38/32/203193832.db2.gz JYNLVIXFSVDWMS-UHFFFAOYSA-N 0 3 294.311 -0.033 20 5 CBBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330804730 203256641 /nfs/dbraw/zinc/25/66/41/203256641.db2.gz LFEKFESFSDJNKC-SNVBAGLBSA-N 0 3 296.331 -0.014 20 5 CBBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360850810 373242526 /nfs/dbraw/zinc/24/25/26/373242526.db2.gz CXKGTJQVIRICEA-UHFFFAOYSA-N 0 3 285.304 -0.628 20 5 CBBDHN CN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000519774746 373826063 /nfs/dbraw/zinc/82/60/63/373826063.db2.gz RZDLGZUMXYMSMR-ZETCQYMHSA-N 0 3 268.277 -0.967 20 5 CBBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1c[nH]nc1[N+](=O)[O-] ZINC000574530772 335027544 /nfs/dbraw/zinc/02/75/44/335027544.db2.gz GNUBCPKARJLDTQ-LBPRGKRZSA-N 0 3 295.299 -0.496 20 5 CBBDHN CN(C)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000263994015 190087947 /nfs/dbraw/zinc/08/79/47/190087947.db2.gz HOQUSRUPKAEXMX-JTQLQIEISA-N 0 3 294.311 -0.081 20 5 CBBDHN COCCN(CCN(C)C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347159071 218141287 /nfs/dbraw/zinc/14/12/87/218141287.db2.gz QWSFGYUOWNBCDJ-UHFFFAOYSA-N 0 3 299.331 -0.022 20 5 CBBDHN CS(=O)(=O)c1cc(C(=O)NCCN)cc([N+](=O)[O-])c1 ZINC000428764650 208100160 /nfs/dbraw/zinc/10/01/60/208100160.db2.gz NBXNSVNZRNXTBC-UHFFFAOYSA-N 0 3 287.297 -0.313 20 5 CBBDHN C[C@H]1NCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1C ZINC000434672742 208264456 /nfs/dbraw/zinc/26/44/56/208264456.db2.gz ZLVFBTOWZHVGEA-SFYZADRCSA-N 0 3 268.277 -0.605 20 5 CBBDHN C[C@H]1CCNC(=O)[C@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000193582993 419548712 /nfs/dbraw/zinc/54/87/12/419548712.db2.gz CLNPGVMBYWRBEK-WPRPVWTQSA-N 0 3 267.289 -0.095 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366462205 420085979 /nfs/dbraw/zinc/08/59/79/420085979.db2.gz NJHYLIUATFTOPL-IUCAKERBSA-N 0 3 285.279 -0.084 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@H](O)C3(CC3)C2)c1 ZINC000368787688 420143482 /nfs/dbraw/zinc/14/34/82/420143482.db2.gz ZHILTRASWCRVFB-QWRGUYRKSA-N 0 3 282.300 -0.391 20 5 CBBDHN [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[n-]3)CCN2C1=O ZINC000519613889 420384405 /nfs/dbraw/zinc/38/44/05/420384405.db2.gz LJSRUQLAUWBCJW-SFYZADRCSA-N 0 3 293.283 -0.693 20 5 CBBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCN2C1=O ZINC000519613889 420384408 /nfs/dbraw/zinc/38/44/08/420384408.db2.gz LJSRUQLAUWBCJW-SFYZADRCSA-N 0 3 293.283 -0.693 20 5 CBBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)N1 ZINC000599102359 420490788 /nfs/dbraw/zinc/49/07/88/420490788.db2.gz DLRPSHBJNZZJPT-KNVOCYPGSA-N 0 3 252.278 0.154 20 5 CBBDHN C[C@H]1CCNC(=O)[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000193661105 262225454 /nfs/dbraw/zinc/22/54/54/262225454.db2.gz FISIAIIDJGUWSL-JOYOIKCWSA-N 0 3 294.311 -0.129 20 5 CBBDHN CNC(=O)CCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176228033 277226176 /nfs/dbraw/zinc/22/61/76/277226176.db2.gz IGESQQGTXDUMCG-UHFFFAOYSA-N 0 3 255.278 -0.141 20 5 CBBDHN O=C(NC[C@H]1CNCCO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000582419755 328985625 /nfs/dbraw/zinc/98/56/25/328985625.db2.gz FVRJPUOVYYTURX-ZCFIWIBFSA-N 0 3 255.234 -0.964 20 5 CBBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1[nH]ncc1[N+](=O)[O-] ZINC000560508107 327316316 /nfs/dbraw/zinc/31/63/16/327316316.db2.gz RKQMHXPOPXRJQO-LBPRGKRZSA-N 0 3 295.299 -0.496 20 5 CBBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1n[nH]cc1[N+](=O)[O-] ZINC000560508107 327316317 /nfs/dbraw/zinc/31/63/17/327316317.db2.gz RKQMHXPOPXRJQO-LBPRGKRZSA-N 0 3 295.299 -0.496 20 5 CBBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC(CO)CO ZINC000575400998 335100741 /nfs/dbraw/zinc/10/07/41/335100741.db2.gz CMVRVHOVCGHXJJ-JTQLQIEISA-N 0 3 286.284 -0.723 20 5 CBBDHN NC(=O)C1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000746472904 582284817 /nfs/dbraw/zinc/28/48/17/582284817.db2.gz REGTZGHGEUBILT-SNVBAGLBSA-N 0 3 297.315 -0.460 20 5 CBBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000795849760 582410759 /nfs/dbraw/zinc/41/07/59/582410759.db2.gz ADBUUNHFRSODGK-BDAKNGLRSA-N 0 3 295.299 -0.089 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000808171937 582441895 /nfs/dbraw/zinc/44/18/95/582441895.db2.gz OPYYVJQUTTWHFU-SECBINFHSA-N 0 3 282.300 -0.171 20 5 CBBDHN COCCN1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813104482 582453856 /nfs/dbraw/zinc/45/38/56/582453856.db2.gz NCWDKEGOMOQHAP-RKDXNWHRSA-N 0 3 274.273 -0.310 20 5 CBBDHN CC(COC(=O)[C@H]1CCCN(C(N)=O)C1)[N+](=O)[O-] ZINC000813105072 582453898 /nfs/dbraw/zinc/45/38/98/582453898.db2.gz VEEPEJJVUGNOEV-YUMQZZPRSA-N 0 3 259.262 -0.015 20 5 CBBDHN CC(COC(=O)CCN1C(=O)CCC1=O)[N+](=O)[O-] ZINC000813111507 582453953 /nfs/dbraw/zinc/45/39/53/582453953.db2.gz UERNSVGNHGGMBD-SSDOTTSWSA-N 0 3 258.230 -0.266 20 5 CBBDHN CC(COC(=O)[C@H]1CCCN1S(C)(=O)=O)[N+](=O)[O-] ZINC000813113112 582453962 /nfs/dbraw/zinc/45/39/62/582453962.db2.gz XLOPPQKUSCSYGO-HTQZYQBOSA-N 0 3 280.302 -0.381 20 5 CBBDHN CC(COC(=O)CN(C)S(C)(=O)=O)[N+](=O)[O-] ZINC000813114277 582453969 /nfs/dbraw/zinc/45/39/69/582453969.db2.gz OPZNXRIGMIYQKQ-LURJTMIESA-N 0 3 254.264 -0.914 20 5 CBBDHN CC(COC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[N+](=O)[O-] ZINC000813114048 582453971 /nfs/dbraw/zinc/45/39/71/582453971.db2.gz YAPVNDNNFAOJGB-KRTXAFLBSA-N 0 3 299.283 -0.085 20 5 CBBDHN CC(COC(=O)C(C)(C)NS(C)(=O)=O)[N+](=O)[O-] ZINC000813110758 582453981 /nfs/dbraw/zinc/45/39/81/582453981.db2.gz ITNFTKVCVFSDLY-LURJTMIESA-N 0 3 268.291 -0.477 20 5 CBBDHN CC(COC(=O)Cn1cnc2c(cnn2C)c1=O)[N+](=O)[O-] ZINC000813113612 582454001 /nfs/dbraw/zinc/45/40/01/582454001.db2.gz HBWVDQOYJRAVAC-ZETCQYMHSA-N 0 3 295.255 -0.662 20 5 CBBDHN Cn1cc([N+](=O)[O-])c(-c2nc(N3CCNCC3)no2)n1 ZINC000823335844 582666966 /nfs/dbraw/zinc/66/69/66/582666966.db2.gz ZMFSWNPXQJKZOG-UHFFFAOYSA-N 0 3 279.260 -0.212 20 5 CBBDHN O=[N+]([O-])c1cnn(Cc2nc(N3CCNCC3)no2)c1 ZINC000823346119 582667412 /nfs/dbraw/zinc/66/74/12/582667412.db2.gz DQIHBWNHPYWXGT-UHFFFAOYSA-N 0 3 279.260 -0.368 20 5 CBBDHN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000842782850 583192947 /nfs/dbraw/zinc/19/29/47/583192947.db2.gz YUQJNHKYIGGARZ-LURJTMIESA-N 0 3 260.275 -0.385 20 5 CBBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC(CO)CO)c1 ZINC000843060349 583198657 /nfs/dbraw/zinc/19/86/57/583198657.db2.gz UUHQLKGBKJVNNZ-NSHDSACASA-N 0 3 256.258 -0.429 20 5 CBBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H](O)CO)c1 ZINC000843064568 583199202 /nfs/dbraw/zinc/19/92/02/583199202.db2.gz ZIBTVPFIKWJUDG-WDEREUQCSA-N 0 3 256.258 -0.429 20 5 CBBDHN C[C@](O)(CO)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843080919 583200768 /nfs/dbraw/zinc/20/07/68/583200768.db2.gz MIKYUOHNSMRQAT-VXGBXAGGSA-N 0 3 270.285 -0.039 20 5 CBBDHN O=c1c(F)cc([N+](=O)[O-])cn1C[C@H]1CNCCO1 ZINC000849240699 583475127 /nfs/dbraw/zinc/47/51/27/583475127.db2.gz SSIIZEUBONWVTP-MRVPVSSYSA-N 0 3 257.221 -0.116 20 5 CBBDHN CN(C)CCONC(=O)c1c([N+](=O)[O-])cnn1C ZINC000854945605 583629197 /nfs/dbraw/zinc/62/91/97/583629197.db2.gz MTHBHELOVAFRSU-UHFFFAOYSA-N 0 3 257.250 -0.449 20 5 CBBDHN NCCN(CCO)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000857768529 583683036 /nfs/dbraw/zinc/68/30/36/583683036.db2.gz SXXWAWCWGNPGMZ-UHFFFAOYSA-N 0 3 296.283 -0.687 20 5 CBBDHN Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2CCCN2C[C@@H]1CO ZINC000872757683 584062918 /nfs/dbraw/zinc/06/29/18/584062918.db2.gz FHPXFTRYGZAKDG-VHSXEESVSA-N 0 3 281.316 -0.026 20 5 CBBDHN CCS(=O)(=O)N(C)CCCNCC[N+](=O)[O-] ZINC000899870342 584782435 /nfs/dbraw/zinc/78/24/35/584782435.db2.gz MIZFZNVWOBJJNQ-UHFFFAOYSA-N 0 3 253.324 -0.476 20 5 CBBDHN CCN1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000941406959 615087817 /nfs/dbraw/zinc/08/78/17/615087817.db2.gz KEDKJXKZSIISMK-VXGBXAGGSA-N 0 3 282.344 -0.500 20 5 CBBDHN CN(CCO)CCN(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000701123557 656178097 /nfs/dbraw/zinc/17/80/97/656178097.db2.gz VMDLHWXSPOFAJY-UHFFFAOYSA-N 0 3 284.316 -0.071 20 5 CBBDHN CN(CCO)CCN(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000912608161 657297725 /nfs/dbraw/zinc/29/77/25/657297725.db2.gz RXHMERDIIZIUEU-UHFFFAOYSA-N 0 3 282.300 -0.014 20 5 CBBDHN CNC(=O)CN1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045436126 801697953 /nfs/dbraw/zinc/69/79/53/801697953.db2.gz ITHFTBHYZNYCQE-NXEZZACHSA-N 0 3 298.343 -0.632 20 5 CBBDHN CN(C)C[C@H]1COCCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001154960454 815254026 /nfs/dbraw/zinc/25/40/26/815254026.db2.gz AGORHRZWYKEKAF-NSHDSACASA-N 0 3 282.300 -0.005 20 5 CBBDHN CN(C)C[C@@H]1COCCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001154960453 815254118 /nfs/dbraw/zinc/25/41/18/815254118.db2.gz AGORHRZWYKEKAF-LLVKDONJSA-N 0 3 282.300 -0.005 20 5 CBBDHN CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC001155245117 815273094 /nfs/dbraw/zinc/27/30/94/815273094.db2.gz YVRHHPZDNXULNK-UHFFFAOYSA-N 0 3 270.289 -0.413 20 5 CBBDHN Cc1nc(N(C)S(=O)(=O)CCN)ncc1[N+](=O)[O-] ZINC001156240040 815351037 /nfs/dbraw/zinc/35/10/37/815351037.db2.gz GCHFFTOTOHBYAO-UHFFFAOYSA-N 0 3 275.290 -0.582 20 5 CBBDHN CC(=O)NCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122668041 813182937 /nfs/dbraw/zinc/18/29/37/813182937.db2.gz UMZNKCDUHQZXMP-UHFFFAOYSA-N 0 3 294.311 -0.063 20 5 CBBDHN Cc1cc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001126932424 813695430 /nfs/dbraw/zinc/69/54/30/813695430.db2.gz XCWVYCODWVPQIO-NXEZZACHSA-N 0 3 268.273 -0.146 20 5 CBBDHN NC(=O)CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160097334 815610593 /nfs/dbraw/zinc/61/05/93/815610593.db2.gz GLMFKGVJZOFTEW-GHMZBOCLSA-N 0 3 296.327 -0.725 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN2C[C@H](CO)[C@H](CCO)C2)c1 ZINC001308162968 816822523 /nfs/dbraw/zinc/82/25/23/816822523.db2.gz JXDJHJKIPRSBDC-GHMZBOCLSA-N 0 3 284.316 -0.286 20 5 CBBDHN CN1CCN(C)[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001319613023 817225397 /nfs/dbraw/zinc/22/53/97/817225397.db2.gz ZYUJOXXMBDBSEQ-MRVPVSSYSA-N 0 3 282.304 -0.707 20 5 CBBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CCN(C)C2)n1 ZINC001320222553 817296905 /nfs/dbraw/zinc/29/69/05/817296905.db2.gz BEXKOWWXFHXYDK-NSHDSACASA-N 0 3 283.288 -0.875 20 5 CBBDHN CN(c1c(F)c([N+](=O)[O-])cc[n+]1[O-])S(=O)(=O)CCN ZINC001164287898 819899878 /nfs/dbraw/zinc/89/98/78/819899878.db2.gz YDTDJFSCJFTXDD-UHFFFAOYSA-N 0 3 294.264 -0.908 20 5 CBBDHN COc1ncc([N+](=O)[O-])c(N(C)S(=O)(=O)CCN)n1 ZINC001164287429 819900095 /nfs/dbraw/zinc/90/00/95/819900095.db2.gz QNDGYQBWGDNZJJ-UHFFFAOYSA-N 0 3 291.289 -0.882 20 5 CBBDHN COc1ccc([N+](=O)[O-])nc1N(C)S(=O)(=O)CCN ZINC001164296827 819903150 /nfs/dbraw/zinc/90/31/50/819903150.db2.gz QVVWTYNZMGPPSO-UHFFFAOYSA-N 0 3 290.301 -0.277 20 5 CBBDHN COc1ncnc(N2CC[C@@H]3NCCO[C@H]3C2)c1[N+](=O)[O-] ZINC001165270304 819946736 /nfs/dbraw/zinc/94/67/36/819946736.db2.gz BFEXXIKRQNEMPC-IUCAKERBSA-N 0 3 295.299 -0.040 20 5 CBBDHN CS(=O)(=O)N(c1ccc([N+](=O)[O-])c(N)n1)C1CNC1 ZINC001166968045 820055413 /nfs/dbraw/zinc/05/54/13/820055413.db2.gz GZZXYCSJIHMZGT-UHFFFAOYSA-N 0 3 287.301 -0.690 20 5 CBBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCN(C)CCO ZINC001168349059 820159488 /nfs/dbraw/zinc/15/94/88/820159488.db2.gz IQBNYWDONMMGMM-UHFFFAOYSA-N 0 3 299.331 -0.518 20 5 CBBDHN CN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)S(=O)(=O)CCN ZINC001168966475 820197504 /nfs/dbraw/zinc/19/75/04/820197504.db2.gz IKFQJEBBIMUUGC-RKDXNWHRSA-N 0 3 265.335 -0.348 20 5 CBBDHN NCc1cnnn1-c1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001169303704 820224335 /nfs/dbraw/zinc/22/43/35/820224335.db2.gz CUGNWPBYTMJUQH-UHFFFAOYSA-N 0 3 263.217 -0.872 20 5 CBBDHN Cn1cc(-n2nncc2CN)cc([N+](=O)[O-])c1=O ZINC001169311223 820226564 /nfs/dbraw/zinc/22/65/64/820226564.db2.gz SLGLLRLSUGURQC-UHFFFAOYSA-N 0 3 250.218 -0.667 20 5 CBBDHN NCc1cnnn1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001169311685 820228118 /nfs/dbraw/zinc/22/81/18/820228118.db2.gz QVDHDFLRDDQKGN-UHFFFAOYSA-N 0 3 274.240 -0.122 20 5 CBBDHN NCc1cnnn1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001169311871 820228852 /nfs/dbraw/zinc/22/88/52/820228852.db2.gz GZELOYNYVAPHGD-UHFFFAOYSA-N 0 3 260.217 -0.323 20 5 CBBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001170340456 820288854 /nfs/dbraw/zinc/28/88/54/820288854.db2.gz WGOOISMALSMUFE-UHFFFAOYSA-N 0 3 293.283 -0.006 20 5 CBBDHN Cc1nc(Cn2cc(C(=O)OCC(C)[N+](=O)[O-])nn2)no1 ZINC001263475451 826765928 /nfs/dbraw/zinc/76/59/28/826765928.db2.gz IZYVKZYQULBSPK-ZCFIWIBFSA-N 0 3 296.243 -0.160 20 5 CBBDHN O=C(NC1(CCO)CN(CC2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001276050997 828132357 /nfs/dbraw/zinc/13/23/57/828132357.db2.gz VAGLLHILPOSEIO-GHMZBOCLSA-N 0 3 283.328 -0.385 20 5 CBBDHN O=C(NCCN1CC[C@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001331883311 887029813 /nfs/dbraw/zinc/02/98/13/887029813.db2.gz QGQSKEFDNXSILS-ZETCQYMHSA-N 0 3 269.261 -0.886 20 5 CBBDHN NC(=O)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC001473643584 915845921 /nfs/dbraw/zinc/84/59/21/915845921.db2.gz TVTQUAHWNJFQPM-AOOOYVTPSA-N 0 3 292.295 -0.387 20 5 CBBDHN CC1(C)CNC(=O)[C@@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC001473763024 915854293 /nfs/dbraw/zinc/85/42/93/915854293.db2.gz PXJKSWITVPXCFO-VIFPVBQESA-N 0 3 267.289 -0.095 20 5 CBBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001521976757 922394831 /nfs/dbraw/zinc/39/48/31/922394831.db2.gz WXNDRVIZEAWSKR-QMMMGPOBSA-N 0 3 280.284 -0.206 20 5 CBBDHN COCCN(C)CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001547268582 923342686 /nfs/dbraw/zinc/34/26/86/923342686.db2.gz FBFZGLCWDKDRQI-UHFFFAOYSA-N 0 3 297.315 -0.120 20 5 CBBDHN C[C@@H](O)CN(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000351936887 219255029 /nfs/dbraw/zinc/25/50/29/219255029.db2.gz MWCBIPFMQDILCL-SECBINFHSA-N 0 3 258.278 -0.534 20 5 CBBDHN CN(C)CC[C@](C)(O)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000352119219 219327426 /nfs/dbraw/zinc/32/74/26/219327426.db2.gz CTUHLPMZTBNEKS-NSHDSACASA-N 0 3 285.304 -0.250 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](O)C2)c1 ZINC000174649576 352049324 /nfs/dbraw/zinc/04/93/24/352049324.db2.gz IOBVTAHBCCELMF-QWRGUYRKSA-N 0 3 270.289 -0.391 20 5 CBBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237614702 352308290 /nfs/dbraw/zinc/30/82/90/352308290.db2.gz ACUVQDZZCZTGAN-VHSXEESVSA-N 0 3 294.311 -0.035 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](O)C2)c1 ZINC000246692789 352337270 /nfs/dbraw/zinc/33/72/70/352337270.db2.gz IOBVTAHBCCELMF-MNOVXSKESA-N 0 3 270.289 -0.391 20 5 CBBDHN C[C@@H](O)CN(CCn1cc([N+](=O)[O-])cn1)[C@H](C)CO ZINC000248935424 352358434 /nfs/dbraw/zinc/35/84/34/352358434.db2.gz NDNZQPUZEQHOCY-NXEZZACHSA-N 0 3 272.305 -0.145 20 5 CBBDHN C[C@@H](O)CN(CCn1ccc([N+](=O)[O-])n1)[C@H](C)CO ZINC000248957758 352358785 /nfs/dbraw/zinc/35/87/85/352358785.db2.gz QMSURNZKPXZMGW-NXEZZACHSA-N 0 3 272.305 -0.145 20 5 CBBDHN CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000271011000 352507286 /nfs/dbraw/zinc/50/72/86/352507286.db2.gz ZTRCZUQHSIEYRD-ADEWGFFLSA-N 0 3 284.316 -0.145 20 5 CBBDHN Cc1n[n-]c(C(=O)NCC(F)(F)C[NH3+])c1[N+](=O)[O-] ZINC000275176993 352554763 /nfs/dbraw/zinc/55/47/63/352554763.db2.gz VMDSPFAPNLBKLO-UHFFFAOYSA-N 0 3 263.204 -0.050 20 5 CBBDHN C[C@@H](CN(C)C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000286868108 352650501 /nfs/dbraw/zinc/65/05/01/352650501.db2.gz CXBHVRYJCRSZJX-QMMMGPOBSA-N 0 3 255.278 -0.142 20 5 CBBDHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000305764401 352750944 /nfs/dbraw/zinc/75/09/44/352750944.db2.gz PHAHWUNPXZMYNF-JLLWLGSASA-N 0 3 284.316 -0.145 20 5 CBBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354345262 353556104 /nfs/dbraw/zinc/55/61/04/353556104.db2.gz YVVYWKIZFPBFEU-SNVBAGLBSA-N 0 3 271.277 -0.640 20 5 CBBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354345261 353556372 /nfs/dbraw/zinc/55/63/72/353556372.db2.gz YVVYWKIZFPBFEU-JTQLQIEISA-N 0 3 271.277 -0.640 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000358047610 353621144 /nfs/dbraw/zinc/62/11/44/353621144.db2.gz MBFMQYMPBYJZKP-NSHDSACASA-N 0 3 269.257 -0.016 20 5 CBBDHN CN1CC[C@](O)(CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000358325077 353638026 /nfs/dbraw/zinc/63/80/26/353638026.db2.gz AJBNCTZGVASSFF-JTQLQIEISA-N 0 3 255.278 -0.193 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000358038637 353620382 /nfs/dbraw/zinc/62/03/82/353620382.db2.gz BMJZJJNSRBVGFI-ZDUSSCGKSA-N 0 3 294.311 -0.027 20 5 CBBDHN C[C@H]1CCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000525291970 354570991 /nfs/dbraw/zinc/57/09/91/354570991.db2.gz VHHGNDDFRPCCBF-VIFPVBQESA-N 0 3 282.304 -0.356 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000547274064 354657743 /nfs/dbraw/zinc/65/77/43/354657743.db2.gz WEUBGZBKPJVPMZ-LBPRGKRZSA-N 0 3 280.284 -0.214 20 5 CBBDHN N[C@@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])nc3)CCN2C1=O ZINC000563431264 354704370 /nfs/dbraw/zinc/70/43/70/354704370.db2.gz LRHMKMCLEJQBOI-VHSXEESVSA-N 0 3 277.284 -0.262 20 5 CBBDHN C[C@@H](NC(=O)C(=O)NC1CNC1)c1ccccc1[N+](=O)[O-] ZINC000565706569 354743856 /nfs/dbraw/zinc/74/38/56/354743856.db2.gz KJBPWBJHZYLPGY-MRVPVSSYSA-N 0 3 292.295 -0.140 20 5 CBBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C)C[C@@H]1CN ZINC000578235912 354942026 /nfs/dbraw/zinc/94/20/26/354942026.db2.gz JEYUXNAOKCTFFL-QMMMGPOBSA-N 0 3 282.304 -0.957 20 5 CBBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC000580714351 354996703 /nfs/dbraw/zinc/99/67/03/354996703.db2.gz SNEYTWKSWHUOSH-MRVPVSSYSA-N 0 3 297.315 -0.011 20 5 CBBDHN COCCNCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000583629711 355021062 /nfs/dbraw/zinc/02/10/62/355021062.db2.gz YQMHPRXCKNTQPH-UHFFFAOYSA-N 0 3 271.277 -0.857 20 5 CBBDHN O=C(N[C@@H](CO)CN1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000590371620 355076450 /nfs/dbraw/zinc/07/64/50/355076450.db2.gz PANIQSLVQVPHBE-MRVPVSSYSA-N 0 3 283.288 -0.496 20 5 CBBDHN CN1C[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1 ZINC000590445751 355080804 /nfs/dbraw/zinc/08/08/04/355080804.db2.gz RPAWIOGWPCVYJC-BDAKNGLRSA-N 0 3 280.288 -0.651 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CO)CN(C)C ZINC000588864659 355062281 /nfs/dbraw/zinc/06/22/81/355062281.db2.gz LTCFJBHFTYCSHL-SNVBAGLBSA-N 0 3 299.331 -0.471 20 5 CBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1c([N+](=O)[O-])ncn1C ZINC000591982689 355124012 /nfs/dbraw/zinc/12/40/12/355124012.db2.gz PVALMENUXHNDAA-SECBINFHSA-N 0 3 296.331 -0.116 20 5 CBBDHN C[C@@H]1CC[C@@H](O)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592201757 355140395 /nfs/dbraw/zinc/14/03/95/355140395.db2.gz GUZLEQVTWZYVGV-JLLWLGSASA-N 0 3 284.316 -0.003 20 5 CBBDHN C[NH2+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595105466 355271621 /nfs/dbraw/zinc/27/16/21/355271621.db2.gz PQRXJNFULFUDFE-UHFFFAOYSA-N 0 3 274.302 -0.122 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000597654141 355403455 /nfs/dbraw/zinc/40/34/55/355403455.db2.gz OVJXADGDMFGAII-QMMMGPOBSA-N 0 3 270.289 -0.414 20 5 CBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](N2CCCC2)C1 ZINC000608905886 355765339 /nfs/dbraw/zinc/76/53/39/355765339.db2.gz LJEJHXZSHHXAGY-SNVBAGLBSA-N 0 3 294.315 -0.117 20 5 CBBDHN CN1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000604532468 355726140 /nfs/dbraw/zinc/72/61/40/355726140.db2.gz PIDSPGUGHAEMSA-JTQLQIEISA-N 0 3 294.311 -0.033 20 5 CBBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610714621 355786322 /nfs/dbraw/zinc/78/63/22/355786322.db2.gz ZZTGSHMQWFOHBW-SCZZXKLOSA-N 0 3 294.315 -0.215 20 5 CBBDHN C[C@]1(O)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178013449 189085946 /nfs/dbraw/zinc/08/59/46/189085946.db2.gz JSRDGCSYONGVEG-QWRGUYRKSA-N 0 3 270.289 -0.391 20 5 CBBDHN NC(=O)[C@]1(O)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000276491911 193353117 /nfs/dbraw/zinc/35/31/17/193353117.db2.gz VOSVQCCVZOSAEG-ZDUSSCGKSA-N 0 3 295.295 -0.104 20 5 CBBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCCNc1ccncc1 ZINC000361361139 373282399 /nfs/dbraw/zinc/28/23/99/373282399.db2.gz CBDDWZBTFOHEDA-UHFFFAOYSA-N 0 3 290.283 -0.013 20 5 CBBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1[nH]ncc1[N+](=O)[O-] ZINC000362397045 373402530 /nfs/dbraw/zinc/40/25/30/373402530.db2.gz QMNPXVZYWKVKIO-IUCAKERBSA-N 0 3 295.299 -0.089 20 5 CBBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000362397045 373402537 /nfs/dbraw/zinc/40/25/37/373402537.db2.gz QMNPXVZYWKVKIO-IUCAKERBSA-N 0 3 295.299 -0.089 20 5 CBBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1c[nH]nc1[N+](=O)[O-] ZINC000574530771 335027449 /nfs/dbraw/zinc/02/74/49/335027449.db2.gz GNUBCPKARJLDTQ-GFCCVEGCSA-N 0 3 295.299 -0.496 20 5 CBBDHN C[C@H]1NCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000262704942 190061456 /nfs/dbraw/zinc/06/14/56/190061456.db2.gz BJMCSOPRDMHVDQ-ZJUUUORDSA-N 0 3 294.311 -0.035 20 5 CBBDHN COCCN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000264103246 190091337 /nfs/dbraw/zinc/09/13/37/190091337.db2.gz AYATWQRPPMLMRE-UHFFFAOYSA-N 0 3 299.331 -0.172 20 5 CBBDHN COCCN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000264584181 190120523 /nfs/dbraw/zinc/12/05/23/190120523.db2.gz UZEKMAHBWWVKOM-SNVBAGLBSA-N 0 3 297.315 -0.372 20 5 CBBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465033 248253308 /nfs/dbraw/zinc/25/33/08/248253308.db2.gz VKLFEYCVUQZVKY-UHFFFAOYSA-N 0 3 299.331 -0.022 20 5 CBBDHN CC[C@](C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000133429072 207377589 /nfs/dbraw/zinc/37/75/89/207377589.db2.gz SYSNYXRTHUZPPT-KOLCDFICSA-N 0 3 285.304 -0.604 20 5 CBBDHN C[C@@H]1CCNC(=O)[C@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000193569884 207466859 /nfs/dbraw/zinc/46/68/59/207466859.db2.gz SUXYVRUSVAJWFD-MIMYLULJSA-N 0 3 297.315 -0.734 20 5 CBBDHN COCCNCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000237288691 285078026 /nfs/dbraw/zinc/07/80/26/285078026.db2.gz OZAWEEGADVAKOU-UHFFFAOYSA-N 0 3 271.277 -0.857 20 5 CBBDHN CN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285046044 196185733 /nfs/dbraw/zinc/18/57/33/196185733.db2.gz PYWPEUMVYCKPEQ-UHFFFAOYSA-N 0 3 296.331 -0.315 20 5 CBBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285688272 196366631 /nfs/dbraw/zinc/36/66/31/196366631.db2.gz VHGZJPWMDKDOIG-UHFFFAOYSA-N 0 3 296.331 -0.315 20 5 CBBDHN CN(C)CCn1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000343368976 419758607 /nfs/dbraw/zinc/75/86/07/419758607.db2.gz GMQUQAKWKKVPBB-UHFFFAOYSA-N 0 3 293.287 0.328 20 5 CBBDHN CN(C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)n1 ZINC000351958136 419825840 /nfs/dbraw/zinc/82/58/40/419825840.db2.gz JIGIHDURLWSNJN-UHFFFAOYSA-N 0 3 293.287 0.328 20 5 CBBDHN O=C1NC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@@H]12 ZINC000368232765 420126871 /nfs/dbraw/zinc/12/68/71/420126871.db2.gz SYZIAYHVIBYADT-GXSJLCMTSA-N 0 3 279.300 -0.141 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](O)C3(CC3)C2)c1 ZINC000368787686 420143079 /nfs/dbraw/zinc/14/30/79/420143079.db2.gz ZHILTRASWCRVFB-GHMZBOCLSA-N 0 3 282.300 -0.391 20 5 CBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366465538 420085677 /nfs/dbraw/zinc/08/56/77/420085677.db2.gz YDIIGKCPKPMPNG-IUCAKERBSA-N 0 3 298.274 -0.427 20 5 CBBDHN CC1(C)CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1 ZINC000420283029 420250872 /nfs/dbraw/zinc/25/08/72/420250872.db2.gz SPMAEFUOFDWTLF-UHFFFAOYSA-N 0 3 252.278 0.155 20 5 CBBDHN CNCCN(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000519767038 420387435 /nfs/dbraw/zinc/38/74/35/420387435.db2.gz GOFPZTIZNDXJRS-UHFFFAOYSA-N 0 3 274.302 -0.170 20 5 CBBDHN C[C@H](O)CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)CO ZINC000190836884 290082295 /nfs/dbraw/zinc/08/22/95/290082295.db2.gz DXRGRXIZCHQSOF-QWRGUYRKSA-N 0 3 299.327 -0.180 20 5 CBBDHN Cn1cnc([N+](=O)[O-])c1N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584124284 327046071 /nfs/dbraw/zinc/04/60/71/327046071.db2.gz ABXSSGFWJGGGDF-JGVFFNPUSA-N 0 3 280.288 -0.924 20 5 CBBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H](O)CO)c1 ZINC000561383132 327390403 /nfs/dbraw/zinc/39/04/03/327390403.db2.gz WXPCMEXYDPEBBB-GHMZBOCLSA-N 0 3 286.284 -0.723 20 5 CBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CNCCC1(F)F ZINC000582548430 329105734 /nfs/dbraw/zinc/10/57/34/329105734.db2.gz YQSRKBRTOSXNRX-ZETCQYMHSA-N 0 3 289.242 -0.095 20 5 CBBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC1CNC1 ZINC000583312544 329448418 /nfs/dbraw/zinc/44/84/18/329448418.db2.gz SMBKKHGKNGHAMC-UHFFFAOYSA-N 0 3 292.295 -0.359 20 5 CBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CNCCC1(F)F ZINC000577494312 335359143 /nfs/dbraw/zinc/35/91/43/335359143.db2.gz NPTMWVLKZVUASU-LURJTMIESA-N 0 3 290.230 -0.700 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CNCCO1 ZINC000581879275 336157357 /nfs/dbraw/zinc/15/73/57/336157357.db2.gz AXDYNGMHVZPOJS-JTQLQIEISA-N 0 3 297.315 -0.406 20 5 CBBDHN CN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](CN)C1 ZINC000581883046 336159027 /nfs/dbraw/zinc/15/90/27/336159027.db2.gz FGDRRHVKTCMTML-SNVBAGLBSA-N 0 3 296.331 -0.717 20 5 CBBDHN C[C@](O)(CO)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134758029 582125184 /nfs/dbraw/zinc/12/51/84/582125184.db2.gz JPBODPDVMUNRBI-NWDGAFQWSA-N 0 3 270.285 -0.039 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000762715344 582317994 /nfs/dbraw/zinc/31/79/94/582317994.db2.gz BGOUPAFWIOOIOZ-CYBMUJFWSA-N 0 3 294.311 -0.027 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000787269329 582381013 /nfs/dbraw/zinc/38/10/13/582381013.db2.gz DDKPINPMXOSMAC-CYBMUJFWSA-N 0 3 294.311 -0.027 20 5 CBBDHN CC(COC(=O)C1CCN(S(C)(=O)=O)CC1)[N+](=O)[O-] ZINC000813109544 582453834 /nfs/dbraw/zinc/45/38/34/582453834.db2.gz LEBSRZHYGMZPDR-MRVPVSSYSA-N 0 3 294.329 -0.134 20 5 CBBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H](O)CO)c1 ZINC000843064566 583199233 /nfs/dbraw/zinc/19/92/33/583199233.db2.gz ZIBTVPFIKWJUDG-MNOVXSKESA-N 0 3 256.258 -0.429 20 5 CBBDHN COC(=O)[C@@H](O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843085909 583201193 /nfs/dbraw/zinc/20/11/93/583201193.db2.gz DXUBHNXTSYMHBN-QWRGUYRKSA-N 0 3 284.268 -0.248 20 5 CBBDHN NC[C@H]1CC(C(=O)NCCn2cc([N+](=O)[O-])cn2)=NO1 ZINC000852887965 583569329 /nfs/dbraw/zinc/56/93/29/583569329.db2.gz FNDSRIMKJNVSPW-MRVPVSSYSA-N 0 3 282.260 -0.989 20 5 CBBDHN O=C1OC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@@H]12 ZINC000860160360 583740034 /nfs/dbraw/zinc/74/00/34/583740034.db2.gz RWCQZLOLXPTFJJ-RKDXNWHRSA-N 0 3 266.257 -0.104 20 5 CBBDHN CC(COC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[N+](=O)[O-] ZINC000860777716 583754841 /nfs/dbraw/zinc/75/48/41/583754841.db2.gz UDAFNYVAHUUWDY-IUCAKERBSA-N 0 3 296.283 -0.019 20 5 CBBDHN CN1CCC(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 ZINC000865353993 583903759 /nfs/dbraw/zinc/90/37/59/583903759.db2.gz OBERUMWQROHPRI-UHFFFAOYSA-N 0 3 294.311 -0.033 20 5 CBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1c([N+](=O)[O-])cnn1C ZINC000894353619 584656175 /nfs/dbraw/zinc/65/61/75/584656175.db2.gz KKDBVUNMWOZCSX-VIFPVBQESA-N 0 3 296.331 -0.116 20 5 CBBDHN O=C(CN1CCCC1)N1CCN(CC[N+](=O)[O-])CC1 ZINC000929513839 659135272 /nfs/dbraw/zinc/13/52/72/659135272.db2.gz XJTJQSOOTBRPOZ-UHFFFAOYSA-N 0 3 270.333 -0.497 20 5 CBBDHN O=C(N[C@H]1C[C@@H](NCc2cnon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064137 790987591 /nfs/dbraw/zinc/98/75/91/790987591.db2.gz XQENZXDMOZAJEC-BKFJMODKSA-N 0 3 281.272 -0.528 20 5 CBBDHN NC(=O)COC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001322385625 803891592 /nfs/dbraw/zinc/89/15/92/803891592.db2.gz JIXKECVHMRQIOQ-UHFFFAOYSA-N 0 3 297.315 -0.242 20 5 CBBDHN Cn1nncc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001323437542 804026190 /nfs/dbraw/zinc/02/61/90/804026190.db2.gz JDHLYENMGBJHLS-NXEZZACHSA-N 0 3 294.315 -0.781 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001325268166 804268684 /nfs/dbraw/zinc/26/86/84/804268684.db2.gz KMLQJIZHIXTDNZ-JTQLQIEISA-N 0 3 269.261 -0.886 20 5 CBBDHN COc1nc(N(C)S(=O)(=O)CCN)ncc1[N+](=O)[O-] ZINC001156231865 815347477 /nfs/dbraw/zinc/34/74/77/815347477.db2.gz PNFSBQNFUKFEQR-UHFFFAOYSA-N 0 3 291.289 -0.882 20 5 CBBDHN O=C(NCCCNCc1cnon1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767869 815465072 /nfs/dbraw/zinc/46/50/72/815465072.db2.gz YSMOUDOHXVTCRM-RKDXNWHRSA-N 0 3 269.261 -0.669 20 5 CBBDHN O=C(NCCCNCc1cnsn1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767789 815462693 /nfs/dbraw/zinc/46/26/93/815462693.db2.gz USPHVUAZJLAUJQ-RKDXNWHRSA-N 0 3 285.329 -0.201 20 5 CBBDHN NCc1cnnn1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001158420160 815526793 /nfs/dbraw/zinc/52/67/93/815526793.db2.gz FOWIPDZSGXWFEI-UHFFFAOYSA-N 0 3 265.189 -0.063 20 5 CBBDHN NCc1cnnn1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001158423179 815528392 /nfs/dbraw/zinc/52/83/92/815528392.db2.gz NEQKZGWSGKISPC-UHFFFAOYSA-N 0 3 270.636 -0.079 20 5 CBBDHN O=C(NCCN1CC[C@@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001118953422 812674980 /nfs/dbraw/zinc/67/49/80/812674980.db2.gz QGQSKEFDNXSILS-SSDOTTSWSA-N 0 3 269.261 -0.886 20 5 CBBDHN O=C(NC[C@@H]1CCCN1CCCO)c1[nH]ncc1[N+](=O)[O-] ZINC001159091737 815558882 /nfs/dbraw/zinc/55/88/82/815558882.db2.gz QUYMFQWQKQFHQY-VIFPVBQESA-N 0 3 297.315 -0.106 20 5 CBBDHN Cn1ccc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126932448 813695084 /nfs/dbraw/zinc/69/50/84/813695084.db2.gz YGXUORCTKZDEIF-NXEZZACHSA-N 0 3 267.289 -0.709 20 5 CBBDHN CC[C@]([NH3+])(CO)[N-]c1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001159744350 815591998 /nfs/dbraw/zinc/59/19/98/815591998.db2.gz VBXJKMUWWUMBJL-SNVBAGLBSA-N 0 3 287.276 -0.129 20 5 CBBDHN O=C(NC[C@@H]1CCCN1CCCO)c1c[nH]nc1[N+](=O)[O-] ZINC001298329301 816677644 /nfs/dbraw/zinc/67/76/44/816677644.db2.gz YPEWODBXFXYDMN-VIFPVBQESA-N 0 3 297.315 -0.106 20 5 CBBDHN COc1cc(N(C)S(=O)(=O)CCN)cnc1[N+](=O)[O-] ZINC001164296860 819904311 /nfs/dbraw/zinc/90/43/11/819904311.db2.gz BGJMBKCRDNCPQQ-UHFFFAOYSA-N 0 3 290.301 -0.277 20 5 CBBDHN CS(=O)(=O)N(c1ncc(F)cc1[N+](=O)[O-])C1CNC1 ZINC001166968302 820056079 /nfs/dbraw/zinc/05/60/79/820056079.db2.gz VWMXXWFRCSFEEI-UHFFFAOYSA-N 0 3 290.276 -0.133 20 5 CBBDHN CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)S(=O)(=O)CCN ZINC001168966472 820197162 /nfs/dbraw/zinc/19/71/62/820197162.db2.gz IKFQJEBBIMUUGC-BDAKNGLRSA-N 0 3 265.335 -0.348 20 5 CBBDHN NCc1cnnn1-c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001169304099 820224268 /nfs/dbraw/zinc/22/42/68/820224268.db2.gz MRTKNJLRLRPLRE-UHFFFAOYSA-N 0 3 263.217 -0.872 20 5 CBBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H](CO)C(N)=O ZINC001173234928 820400238 /nfs/dbraw/zinc/40/02/38/820400238.db2.gz QZYHSVWHMYHKMW-GZMMTYOYSA-N 0 3 267.285 -0.038 20 5 CBBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)C(N)=O ZINC001173219912 820400870 /nfs/dbraw/zinc/40/08/70/820400870.db2.gz QZYHSVWHMYHKMW-KCJUWKMLSA-N 0 3 267.285 -0.038 20 5 CBBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)[n-]cn1 ZINC001226948021 825293578 /nfs/dbraw/zinc/29/35/78/825293578.db2.gz ZEDAHYFSLSOPSP-MRVPVSSYSA-O 0 3 256.282 -0.455 20 5 CBBDHN CCOC(=O)[C@@H]1CNCCN1CCn1cc([N+](=O)[O-])cn1 ZINC001327205287 885285776 /nfs/dbraw/zinc/28/57/76/885285776.db2.gz CGXCJAGOTDXYLY-NSHDSACASA-N 0 3 297.315 -0.372 20 5 CBBDHN NC(=O)C1(NCCn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC001328429583 885685053 /nfs/dbraw/zinc/68/50/53/885685053.db2.gz PBZMGXFKVLPJAC-UHFFFAOYSA-N 0 3 283.288 -0.585 20 5 CBBDHN N[C@@H](CC(F)F)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001332151332 887132429 /nfs/dbraw/zinc/13/24/29/887132429.db2.gz BABXBZDWBJLWCI-ZETCQYMHSA-N 0 3 277.231 -0.110 20 5 CBBDHN CN1CCN(CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001344129512 890008075 /nfs/dbraw/zinc/00/80/75/890008075.db2.gz NJXGSBVNYFQODP-UHFFFAOYSA-N 0 3 296.331 -0.315 20 5 CBBDHN CN1CCCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001439895917 911306337 /nfs/dbraw/zinc/30/63/37/911306337.db2.gz UXMQYBCKQNJHNC-VIFPVBQESA-N 0 3 282.304 -0.213 20 5 CBBDHN NC(=O)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC001473643586 915844755 /nfs/dbraw/zinc/84/47/55/915844755.db2.gz TVTQUAHWNJFQPM-NXEZZACHSA-N 0 3 292.295 -0.387 20 5 CBBDHN CN1CCC(CCO)(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001556070078 924039064 /nfs/dbraw/zinc/03/90/64/924039064.db2.gz KVGUBYKPPIPBRN-UHFFFAOYSA-N 0 3 297.315 -0.106 20 5 CBBDHN CN(CCNc1ncc([N+](=O)[O-])cn1)CCOCCO ZINC001559265571 924218002 /nfs/dbraw/zinc/21/80/02/924218002.db2.gz UDFPEDFBJSFBAD-UHFFFAOYSA-N 0 3 285.304 -0.263 20 5 CBBDHN CO[C@H]1COC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000290209153 197631931 /nfs/dbraw/zinc/63/19/31/197631931.db2.gz UXCFNCPZJAPKKU-QWRGUYRKSA-N 0 3 283.284 -0.240 20 5 CBBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000351825061 219218007 /nfs/dbraw/zinc/21/80/07/219218007.db2.gz GEPLPEUTNHKZGH-DVVUODLYSA-N 0 3 270.289 -0.535 20 5 CBBDHN Cn1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000041159585 351422625 /nfs/dbraw/zinc/42/26/25/351422625.db2.gz WJVRCFBCKIDFAT-LLVKDONJSA-N 0 3 280.288 -0.325 20 5 CBBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](CN)C1 ZINC000122626970 351852831 /nfs/dbraw/zinc/85/28/31/351852831.db2.gz GDJKYSXFBVFFFU-QMMMGPOBSA-N 0 3 267.289 -0.362 20 5 CBBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@H]1CN ZINC000124324478 351855858 /nfs/dbraw/zinc/85/58/58/351855858.db2.gz JMXPEBDZMVWQFN-SNVBAGLBSA-N 0 3 281.316 -0.352 20 5 CBBDHN COCCN(C)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000131208009 351883722 /nfs/dbraw/zinc/88/37/22/351883722.db2.gz HFJOFBQMKZSNAW-UHFFFAOYSA-N 0 3 271.277 -0.374 20 5 CBBDHN COCCN(C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000131208009 351883725 /nfs/dbraw/zinc/88/37/25/351883725.db2.gz HFJOFBQMKZSNAW-UHFFFAOYSA-N 0 3 271.277 -0.374 20 5 CBBDHN COCCN(C)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000171128453 352008528 /nfs/dbraw/zinc/00/85/28/352008528.db2.gz RLQZBDNTRBFHML-UHFFFAOYSA-N 0 3 285.304 -0.514 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@@H]2CO)c1 ZINC000159734115 351965735 /nfs/dbraw/zinc/96/57/35/351965735.db2.gz HLLCNTBHELPHFV-PWSUYJOCSA-N 0 3 284.316 -0.001 20 5 CBBDHN NCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169191116 351996590 /nfs/dbraw/zinc/99/65/90/351996590.db2.gz BQIRGXSQIGVWGV-MRVPVSSYSA-N 0 3 265.273 -0.039 20 5 CBBDHN C[C@@H](O)CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)CO ZINC000190836901 352184458 /nfs/dbraw/zinc/18/44/58/352184458.db2.gz DXRGRXIZCHQSOF-WDEREUQCSA-N 0 3 299.327 -0.180 20 5 CBBDHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000193569865 352205875 /nfs/dbraw/zinc/20/58/75/352205875.db2.gz SUXYVRUSVAJWFD-DVVUODLYSA-N 0 3 297.315 -0.734 20 5 CBBDHN C[C@@H]1CCNC(=O)[C@@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000193570172 352206592 /nfs/dbraw/zinc/20/65/92/352206592.db2.gz PIXGFPIMSZSDMY-PSASIEDQSA-N 0 3 267.289 -0.095 20 5 CBBDHN CN(C)C[C@@](C)(O)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000228755682 352264959 /nfs/dbraw/zinc/26/49/59/352264959.db2.gz FYLYVYJHJJQSJA-NSHDSACASA-N 0 3 285.304 -0.780 20 5 CBBDHN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CN1 ZINC000237614669 352308190 /nfs/dbraw/zinc/30/81/90/352308190.db2.gz ACUVQDZZCZTGAN-UWVGGRQHSA-N 0 3 294.311 -0.035 20 5 CBBDHN CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000271011002 352506918 /nfs/dbraw/zinc/50/69/18/352506918.db2.gz ZTRCZUQHSIEYRD-USWWRNFRSA-N 0 3 284.316 -0.145 20 5 CBBDHN CN(CCN1CCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000332359764 352946497 /nfs/dbraw/zinc/94/64/97/352946497.db2.gz SWDWUKQFJNAWKA-UHFFFAOYSA-N 0 3 282.304 -0.260 20 5 CBBDHN C[C@@H]1C[C@@H](O)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000340973311 353195775 /nfs/dbraw/zinc/19/57/75/353195775.db2.gz PKHWYFCBFFOZFG-FBIMIBRVSA-N 0 3 270.289 -0.393 20 5 CBBDHN O=C(NCC1CCN(CCO)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354056739 353541072 /nfs/dbraw/zinc/54/10/72/353541072.db2.gz MGCDNLMKOKJTSI-UHFFFAOYSA-N 0 3 297.315 -0.248 20 5 CBBDHN CN1CCC(CCO)(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000354741620 353582042 /nfs/dbraw/zinc/58/20/42/353582042.db2.gz YPGRWMLLIDXXIS-UHFFFAOYSA-N 0 3 297.315 -0.106 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000358486689 353647464 /nfs/dbraw/zinc/64/74/64/353647464.db2.gz UYYYELJUJGXTAO-LBPRGKRZSA-N 0 3 295.299 -0.400 20 5 CBBDHN CC1(C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1 ZINC000408321027 353895168 /nfs/dbraw/zinc/89/51/68/353895168.db2.gz QPJHRITYGKKLJE-UHFFFAOYSA-N 0 3 268.277 -0.603 20 5 CBBDHN CN1CC[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000408145358 353858178 /nfs/dbraw/zinc/85/81/78/353858178.db2.gz RSWQYSBIWCNDFB-VHSXEESVSA-N 0 3 294.315 -0.261 20 5 CBBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CO)[C@H]2CCCO2)n1 ZINC000447921928 354309153 /nfs/dbraw/zinc/30/91/53/354309153.db2.gz NBGJUSNCGNQWIC-VHSXEESVSA-N 0 3 270.289 -0.079 20 5 CBBDHN O=C(CCN1C[C@@H](O)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000444695356 354277200 /nfs/dbraw/zinc/27/72/00/354277200.db2.gz MFPUQLIGRFGQCH-TXEJJXNPSA-N 0 3 295.295 -0.039 20 5 CBBDHN N[C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)CCN2C1=O ZINC000563431265 354704679 /nfs/dbraw/zinc/70/46/79/354704679.db2.gz LRHMKMCLEJQBOI-ZJUUUORDSA-N 0 3 277.284 -0.262 20 5 CBBDHN N[C@@H]1C[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702583 354877862 /nfs/dbraw/zinc/87/78/62/354877862.db2.gz NMXGHLKRVDNQGH-GXSJLCMTSA-N 0 3 294.315 -0.965 20 5 CBBDHN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](CN)C1 ZINC000569972494 354851771 /nfs/dbraw/zinc/85/17/71/354851771.db2.gz ZBWAYPBCRSQEKJ-VIFPVBQESA-N 0 3 293.327 -0.108 20 5 CBBDHN O=C(NC[C@@H]1CN2CCN1CCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000585682912 355049200 /nfs/dbraw/zinc/04/92/00/355049200.db2.gz XHLNLYHZTSTMFQ-SECBINFHSA-N 0 3 294.315 -0.562 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000588864288 355061972 /nfs/dbraw/zinc/06/19/72/355061972.db2.gz DGILCUSPXBJRDV-SSDOTTSWSA-N 0 3 257.246 -0.160 20 5 CBBDHN Cc1nn(C)c(C(=O)N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000588863762 355062099 /nfs/dbraw/zinc/06/20/99/355062099.db2.gz IXRHRPARYQZABG-QMMMGPOBSA-N 0 3 285.304 -0.711 20 5 CBBDHN CC1(C)CN[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000591686785 355107742 /nfs/dbraw/zinc/10/77/42/355107742.db2.gz ZNXODDFVPQFCSS-SECBINFHSA-N 0 3 267.289 -0.095 20 5 CBBDHN CCN1CC[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000591765803 355113418 /nfs/dbraw/zinc/11/34/18/355113418.db2.gz IUHGJWGZRPYNKR-MNOVXSKESA-N 0 3 297.315 -0.637 20 5 CBBDHN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592383465 355150636 /nfs/dbraw/zinc/15/06/36/355150636.db2.gz VXTGDZMWJBZMTG-ZCFIWIBFSA-N 0 3 260.275 -0.385 20 5 CBBDHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592383464 355150934 /nfs/dbraw/zinc/15/09/34/355150934.db2.gz VXTGDZMWJBZMTG-LURJTMIESA-N 0 3 260.275 -0.385 20 5 CBBDHN O=C(c1[n-]ncc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593857212 355223195 /nfs/dbraw/zinc/22/31/95/355223195.db2.gz WOENVJRQHQHTGS-MRVPVSSYSA-N 0 3 281.272 -0.791 20 5 CBBDHN O=C(c1[n-]ncc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593857212 355223196 /nfs/dbraw/zinc/22/31/96/355223196.db2.gz WOENVJRQHQHTGS-MRVPVSSYSA-N 0 3 281.272 -0.791 20 5 CBBDHN NC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000594451890 355248810 /nfs/dbraw/zinc/24/88/10/355248810.db2.gz RWPLZAIXUGERPL-YFKPBYRVSA-N 0 3 281.194 -0.203 20 5 CBBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595122810 355272423 /nfs/dbraw/zinc/27/24/23/355272423.db2.gz VMKJRIKZLVOCIV-ZETCQYMHSA-N 0 3 274.302 -0.124 20 5 CBBDHN Cc1noc(CN2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000595497761 355289375 /nfs/dbraw/zinc/28/93/75/355289375.db2.gz PQAUKOFLLIKITH-IUCAKERBSA-N 0 3 270.289 -0.002 20 5 CBBDHN COC(=O)[C@@H]1OCC[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000595662313 355299549 /nfs/dbraw/zinc/29/95/49/355299549.db2.gz LMMZRTOWPBDSFT-WCBMZHEXSA-N 0 3 284.272 -0.289 20 5 CBBDHN CN(C)C[C@H](CO)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596242364 355350937 /nfs/dbraw/zinc/35/09/37/355350937.db2.gz FVTRKAHVPPICSZ-SSDOTTSWSA-N 0 3 283.288 -0.577 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597652404 355403784 /nfs/dbraw/zinc/40/37/84/355403784.db2.gz AZWZCKLFESDQBW-VIFPVBQESA-N 0 3 299.331 -0.435 20 5 CBBDHN CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCN(C)C1 ZINC000597945526 355424400 /nfs/dbraw/zinc/42/44/00/355424400.db2.gz HOWYMRSVZLNEEH-VIFPVBQESA-N 0 3 282.304 -0.261 20 5 CBBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599646082 355505754 /nfs/dbraw/zinc/50/57/54/355505754.db2.gz YYDFNNLRXQWURI-DTORHVGOSA-N 0 3 267.289 -0.013 20 5 CBBDHN CCc1n[n-]c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600806790 355566543 /nfs/dbraw/zinc/56/65/43/355566543.db2.gz GEBAQHCHRCPPNB-QMMMGPOBSA-N 0 3 297.315 -0.323 20 5 CBBDHN CCc1n[n-]c(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600806790 355566548 /nfs/dbraw/zinc/56/65/48/355566548.db2.gz GEBAQHCHRCPPNB-QMMMGPOBSA-N 0 3 297.315 -0.323 20 5 CBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](N2CCCC2)C1 ZINC000608905882 355765354 /nfs/dbraw/zinc/76/53/54/355765354.db2.gz LJEJHXZSHHXAGY-JTQLQIEISA-N 0 3 294.315 -0.117 20 5 CBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCN(C2CC2)C1 ZINC000609345063 355768905 /nfs/dbraw/zinc/76/89/05/355768905.db2.gz SBOIYWPOXIDFOE-QMMMGPOBSA-N 0 3 280.288 -0.461 20 5 CBBDHN C[C@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CN1C1CC1 ZINC000610654050 355784085 /nfs/dbraw/zinc/78/40/85/355784085.db2.gz FROMOJQYFFCYCV-IUCAKERBSA-N 0 3 294.315 -0.072 20 5 CBBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610714622 355785961 /nfs/dbraw/zinc/78/59/61/355785961.db2.gz ZZTGSHMQWFOHBW-WCBMZHEXSA-N 0 3 294.315 -0.215 20 5 CBBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610714620 355786233 /nfs/dbraw/zinc/78/62/33/355786233.db2.gz ZZTGSHMQWFOHBW-PSASIEDQSA-N 0 3 294.315 -0.215 20 5 CBBDHN C[C@H]1CCNC(=O)[C@@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000193570186 189645607 /nfs/dbraw/zinc/64/56/07/189645607.db2.gz PIXGFPIMSZSDMY-WCBMZHEXSA-N 0 3 267.289 -0.095 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000552155268 283977200 /nfs/dbraw/zinc/97/72/00/283977200.db2.gz NUUPVMCDYZWMIH-QWRGUYRKSA-N 0 3 280.284 -0.263 20 5 CBBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330804729 203255867 /nfs/dbraw/zinc/25/58/67/203255867.db2.gz LFEKFESFSDJNKC-JTQLQIEISA-N 0 3 296.331 -0.014 20 5 CBBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@]1(CO)CCOC1 ZINC000330910534 203380473 /nfs/dbraw/zinc/38/04/73/203380473.db2.gz VLTRLOUEYRYOGX-NSHDSACASA-N 0 3 270.289 -0.126 20 5 CBBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC(O)C1 ZINC000331609249 204008823 /nfs/dbraw/zinc/00/88/23/204008823.db2.gz PAUXQGINEIXBKG-BOBPJJCASA-N 0 3 270.289 -0.393 20 5 CBBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360647004 373221147 /nfs/dbraw/zinc/22/11/47/373221147.db2.gz LICZWPIMJHSDCF-NSHDSACASA-N 0 3 285.304 -0.629 20 5 CBBDHN CN1CC[C@@](O)(CNc2ccncc2[N+](=O)[O-])C1 ZINC000361014762 373254735 /nfs/dbraw/zinc/25/47/35/373254735.db2.gz OMFCDWUNHTXVNL-LLVKDONJSA-N 0 3 252.274 -0.110 20 5 CBBDHN CN(C)CCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000552127436 374261018 /nfs/dbraw/zinc/26/10/18/374261018.db2.gz PIKFYLNSDMIYEZ-UHFFFAOYSA-N 0 3 298.347 -0.117 20 5 CBBDHN C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000563732673 374325056 /nfs/dbraw/zinc/32/50/56/374325056.db2.gz MOUDWOZWOFEDCN-ZETCQYMHSA-N 0 3 298.303 -0.886 20 5 CBBDHN C[C@@H]1NCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000262704938 190061236 /nfs/dbraw/zinc/06/12/36/190061236.db2.gz BJMCSOPRDMHVDQ-UWVGGRQHSA-N 0 3 294.311 -0.035 20 5 CBBDHN CN(C)[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000264018332 190089072 /nfs/dbraw/zinc/08/90/72/190089072.db2.gz NWTRYBSHKHHRJF-VIFPVBQESA-N 0 3 267.289 -0.046 20 5 CBBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356413961 248246619 /nfs/dbraw/zinc/24/66/19/248246619.db2.gz BKHWHBVILHDMTR-UWVGGRQHSA-N 0 3 296.331 -0.015 20 5 CBBDHN O=c1ccc([N+](=O)[O-])cn1CCN1[C@@H](CO)CC[C@H]1CO ZINC000347354847 218202400 /nfs/dbraw/zinc/20/24/00/218202400.db2.gz ZMLMSMLIBZNTOX-TXEJJXNPSA-N 0 3 297.311 -0.426 20 5 CBBDHN C[C@H](O)CN(CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CO ZINC000190816986 419533256 /nfs/dbraw/zinc/53/32/56/419533256.db2.gz QMSURNZKPXZMGW-UWVGGRQHSA-N 0 3 272.305 -0.145 20 5 CBBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183952053 419514162 /nfs/dbraw/zinc/51/41/62/419514162.db2.gz CPXPHMSYWMNUAB-UHFFFAOYSA-N 0 3 297.315 -0.384 20 5 CBBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@]1(CO)CCOC1 ZINC000359574064 419971985 /nfs/dbraw/zinc/97/19/85/419971985.db2.gz AZFFYNSNBKPKJN-NSHDSACASA-N 0 3 270.289 -0.126 20 5 CBBDHN C[C@H](CO)N1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000364957975 420050094 /nfs/dbraw/zinc/05/00/94/420050094.db2.gz XTTKCESFIDAOPW-SECBINFHSA-N 0 3 296.331 -0.140 20 5 CBBDHN O=C1NC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@H]12 ZINC000368232766 420127202 /nfs/dbraw/zinc/12/72/02/420127202.db2.gz SYZIAYHVIBYADT-KOLCDFICSA-N 0 3 279.300 -0.141 20 5 CBBDHN CCN1C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000391568001 420207565 /nfs/dbraw/zinc/20/75/65/420207565.db2.gz BYGOBVWWGMJEMN-GXSJLCMTSA-N 0 3 297.315 -0.637 20 5 CBBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405275567 420226358 /nfs/dbraw/zinc/22/63/58/420226358.db2.gz RHWDNKQPMHBGFB-NWDGAFQWSA-N 0 3 295.343 -0.149 20 5 CBBDHN CN(C)CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548712805 420424094 /nfs/dbraw/zinc/42/40/94/420424094.db2.gz XNQIZCPEUIOGOL-UHFFFAOYSA-N 0 3 253.262 -0.137 20 5 CBBDHN CN(C)CCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000267084480 289127625 /nfs/dbraw/zinc/12/76/25/289127625.db2.gz HFVHLHBBMZMOCO-UHFFFAOYSA-N 0 3 255.278 -0.189 20 5 CBBDHN NC(C(=O)NCCn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000564934281 327162636 /nfs/dbraw/zinc/16/26/36/327162636.db2.gz GNISSVLVFSALFS-LURJTMIESA-N 0 3 281.194 -0.203 20 5 CBBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)C[C@H]2CN)n1 ZINC000564944337 327247250 /nfs/dbraw/zinc/24/72/50/327247250.db2.gz NQWZFGQZYRDWHF-SECBINFHSA-N 0 3 296.331 -0.474 20 5 CBBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](CN)C1 ZINC000571678082 328840174 /nfs/dbraw/zinc/84/01/74/328840174.db2.gz BHPFOXUPIGFQTA-ZETCQYMHSA-N 0 3 268.277 -0.967 20 5 CBBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)CN2CCOCC2)c1 ZINC000582959745 329289667 /nfs/dbraw/zinc/28/96/67/329289667.db2.gz MANQQJHZHQVOOP-GFCCVEGCSA-N 0 3 299.331 -0.926 20 5 CBBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)CN2CCOCC2)c1 ZINC000582959746 329289960 /nfs/dbraw/zinc/28/99/60/329289960.db2.gz MANQQJHZHQVOOP-LBPRGKRZSA-N 0 3 299.331 -0.926 20 5 CBBDHN Cc1nn(C)c(C(=O)N2CCN(C)C[C@H]2CN)c1[N+](=O)[O-] ZINC000564944268 334529549 /nfs/dbraw/zinc/52/95/49/334529549.db2.gz KGIAHMSYNVMFOT-SECBINFHSA-N 0 3 296.331 -0.648 20 5 CBBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)NCCN(C)C ZINC000565208096 334545020 /nfs/dbraw/zinc/54/50/20/334545020.db2.gz ZBCAZTCUNWWOAE-MRVPVSSYSA-N 0 3 297.315 -0.281 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1O ZINC000578082493 335483844 /nfs/dbraw/zinc/48/38/44/335483844.db2.gz RROURFXOSUNANM-CBAPKCEASA-N 0 3 283.288 -0.925 20 5 CBBDHN O=C1NC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@H]12 ZINC000377683061 534787765 /nfs/dbraw/zinc/78/77/65/534787765.db2.gz ZBURGBPWQXCGFE-UWVGGRQHSA-N 0 3 279.300 -0.141 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782616048 582369975 /nfs/dbraw/zinc/36/99/75/582369975.db2.gz LRGCNRLVKUOYHX-MVWJERBFSA-N 0 3 282.300 -0.534 20 5 CBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](CO)CN1CCCC1 ZINC000808218554 582442304 /nfs/dbraw/zinc/44/23/04/582442304.db2.gz JDHMBGHSTUYSON-SNVBAGLBSA-N 0 3 297.315 -0.636 20 5 CBBDHN CC(COC(=O)c1cc(C(N)=O)cn1C)[N+](=O)[O-] ZINC000813101899 582453836 /nfs/dbraw/zinc/45/38/36/582453836.db2.gz LEIHARVMQXLMOR-LURJTMIESA-N 0 3 255.230 -0.054 20 5 CBBDHN CC(COC(=O)CCNS(C)(=O)=O)[N+](=O)[O-] ZINC000813104829 582453841 /nfs/dbraw/zinc/45/38/41/582453841.db2.gz SCUZVNQFMGLMAJ-LURJTMIESA-N 0 3 254.264 -0.866 20 5 CBBDHN CC(COC(=O)c1cn(CC(=O)N(C)C)nn1)[N+](=O)[O-] ZINC000813103415 582453864 /nfs/dbraw/zinc/45/38/64/582453864.db2.gz QCKKRJHXPFJTHO-SSDOTTSWSA-N 0 3 285.260 -0.812 20 5 CBBDHN CC(COC(=O)C1CCC2(CC1)NC(=O)NC2=O)[N+](=O)[O-] ZINC000813103052 582453891 /nfs/dbraw/zinc/45/38/91/582453891.db2.gz MKDMZIHNWILANP-ZOTTZIKWSA-N 0 3 299.283 -0.037 20 5 CBBDHN CC(COC(=O)CN1CCCS1(=O)=O)[N+](=O)[O-] ZINC000813106821 582453900 /nfs/dbraw/zinc/45/39/00/582453900.db2.gz IILAYEFIGWIXEW-SSDOTTSWSA-N 0 3 266.275 -0.770 20 5 CBBDHN COCC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813114945 582453965 /nfs/dbraw/zinc/45/39/65/582453965.db2.gz YFFSCYUHXZTQHI-WPRPVWTQSA-N 0 3 276.289 -0.018 20 5 CBBDHN Cn1nnnc1CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819206626 582528778 /nfs/dbraw/zinc/52/87/78/582528778.db2.gz YZQDWROIRYCCTH-NSHDSACASA-N 0 3 292.299 -0.016 20 5 CBBDHN Cn1nnnc1CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819205808 582528809 /nfs/dbraw/zinc/52/88/09/582528809.db2.gz NSNGRLGJVHXLMS-LLVKDONJSA-N 0 3 292.299 -0.016 20 5 CBBDHN O=[N+]([O-])c1cccc([C@H](O)CNC(CO)CO)c1 ZINC000843060348 583198583 /nfs/dbraw/zinc/19/85/83/583198583.db2.gz UUHQLKGBKJVNNZ-LLVKDONJSA-N 0 3 256.258 -0.429 20 5 CBBDHN C[C@@H](O)[C@@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843062100 583199000 /nfs/dbraw/zinc/19/90/00/583199000.db2.gz LURSNGXHSPLPQK-GGZOMVNGSA-N 0 3 270.285 -0.041 20 5 CBBDHN CC(COC(=O)Cn1nc2n(c1=O)CCCC2)[N+](=O)[O-] ZINC000845574874 583328207 /nfs/dbraw/zinc/32/82/07/583328207.db2.gz DWYFIPLKBCZLTJ-MRVPVSSYSA-N 0 3 284.272 -0.411 20 5 CBBDHN O=c1c(F)cc([N+](=O)[O-])cn1C[C@@H]1CNCCO1 ZINC000849240700 583475146 /nfs/dbraw/zinc/47/51/46/583475146.db2.gz SSIIZEUBONWVTP-QMMMGPOBSA-N 0 3 257.221 -0.116 20 5 CBBDHN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000850586305 583501665 /nfs/dbraw/zinc/50/16/65/583501665.db2.gz ODSDUOCMTVYRNM-LURJTMIESA-N 0 3 260.275 -0.385 20 5 CBBDHN O=C1OC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000860159473 583739634 /nfs/dbraw/zinc/73/96/34/583739634.db2.gz JIQKXTVESFRKPT-PSASIEDQSA-N 0 3 266.257 -0.104 20 5 CBBDHN CC(COC(=O)Cc1ccc(C(N)=O)nc1)[N+](=O)[O-] ZINC000860776717 583754833 /nfs/dbraw/zinc/75/48/33/583754833.db2.gz HJGXRPKLECPGQR-ZETCQYMHSA-N 0 3 267.241 -0.069 20 5 CBBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[N+](=O)[O-] ZINC000860777717 583754866 /nfs/dbraw/zinc/75/48/66/583754866.db2.gz UDAFNYVAHUUWDY-RKDXNWHRSA-N 0 3 296.283 -0.019 20 5 CBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1c([N+](=O)[O-])cnn1C ZINC000894353618 584656234 /nfs/dbraw/zinc/65/62/34/584656234.db2.gz KKDBVUNMWOZCSX-SECBINFHSA-N 0 3 296.331 -0.116 20 5 CBBDHN CN(C(=O)c1ccn[nH]1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953771223 615898565 /nfs/dbraw/zinc/89/85/65/615898565.db2.gz FPWSMSPWDXDNQB-PSASIEDQSA-N 0 3 293.283 -0.642 20 5 CBBDHN CCN(CC)C(=O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000228808336 656110315 /nfs/dbraw/zinc/11/03/15/656110315.db2.gz BHIXNIRFIZSGQZ-NSHDSACASA-N 0 3 299.331 -0.390 20 5 CBBDHN O=C(N[C@H]1C[C@H](NCc2nncs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140097 658016699 /nfs/dbraw/zinc/01/66/99/658016699.db2.gz YJPZFHIOIMFWMV-FNCVBFRFSA-N 0 3 297.340 -0.060 20 5 CBBDHN NC(=O)C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022633579 791034740 /nfs/dbraw/zinc/03/47/40/791034740.db2.gz MOQJQWRBDNTGQM-AOOOYVTPSA-N 0 3 292.295 -0.183 20 5 CBBDHN CN(CCO)CCN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001149207176 814976748 /nfs/dbraw/zinc/97/67/48/814976748.db2.gz YGZKITOIZNHJNK-UHFFFAOYSA-N 0 3 285.304 -0.676 20 5 CBBDHN COCCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154021215 815194745 /nfs/dbraw/zinc/19/47/45/815194745.db2.gz DPIXOFOQXJUUID-UHFFFAOYSA-N 0 3 299.331 -0.039 20 5 CBBDHN CN(c1cccc([N+](=O)[O-])n1)S(=O)(=O)CCN ZINC001156231956 815347844 /nfs/dbraw/zinc/34/78/44/815347844.db2.gz RMEYXIJSRIDGPS-UHFFFAOYSA-N 0 3 260.275 -0.286 20 5 CBBDHN CN(c1ncc([N+](=O)[O-])cc1N)S(=O)(=O)CCN ZINC001156237895 815349656 /nfs/dbraw/zinc/34/96/56/815349656.db2.gz CFGOXDCDOKZBNO-UHFFFAOYSA-N 0 3 275.290 -0.703 20 5 CBBDHN COc1cc(N(C)S(=O)(=O)CCN)ncc1[N+](=O)[O-] ZINC001156236829 815349757 /nfs/dbraw/zinc/34/97/57/815349757.db2.gz RNHYGTRIJXABRA-UHFFFAOYSA-N 0 3 290.301 -0.277 20 5 CBBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1nncc1CN ZINC001158423689 815527901 /nfs/dbraw/zinc/52/79/01/815527901.db2.gz YBLNARGIQWGTEI-UHFFFAOYSA-N 0 3 250.218 -0.424 20 5 CBBDHN CN1CCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001136076541 814551735 /nfs/dbraw/zinc/55/17/35/814551735.db2.gz OSEBMYWFHBHENG-UHFFFAOYSA-N 0 3 282.304 -0.705 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001138061747 814598340 /nfs/dbraw/zinc/59/83/40/814598340.db2.gz TYVGEXYCKLUVDO-ZDUSSCGKSA-N 0 3 294.311 -0.027 20 5 CBBDHN O=C(N[C@@H](CO)CN1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001141653619 814662869 /nfs/dbraw/zinc/66/28/69/814662869.db2.gz GAEQXLAERUHOGG-MRVPVSSYSA-N 0 3 283.288 -0.496 20 5 CBBDHN NCc1cn(-c2nccc(C(N)=O)c2[N+](=O)[O-])cn1 ZINC001162298243 815812125 /nfs/dbraw/zinc/81/21/25/815812125.db2.gz BPBRGOPDGGFLQA-UHFFFAOYSA-N 0 3 262.229 -0.267 20 5 CBBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC(N[C@@H]3CCOC3)C2)n1 ZINC001304086500 816779034 /nfs/dbraw/zinc/77/90/34/816779034.db2.gz YFBKXQHQCITCET-MRVPVSSYSA-N 0 3 295.299 -0.469 20 5 CBBDHN CN(c1ncc([N+](=O)[O-])cn1)S(=O)(=O)CCN ZINC001164288429 819900159 /nfs/dbraw/zinc/90/01/59/819900159.db2.gz OXQQZTOKALZZES-UHFFFAOYSA-N 0 3 261.263 -0.891 20 5 CBBDHN NCc1cnnn1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001169308408 820226181 /nfs/dbraw/zinc/22/61/81/820226181.db2.gz LTQVRXKDVAXRLO-UHFFFAOYSA-N 0 3 260.217 -0.095 20 5 CBBDHN NC(=O)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC001196092551 824148022 /nfs/dbraw/zinc/14/80/22/824148022.db2.gz INAXHTUOIYMNLX-PHIMTYICSA-N 0 3 292.295 -0.387 20 5 CBBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC(CO)(CO)CO)C2 ZINC001254580235 825967583 /nfs/dbraw/zinc/96/75/83/825967583.db2.gz BKWOSZWXRCPWTG-NSHDSACASA-N 0 3 282.296 -0.633 20 5 CBBDHN N[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@H]1F ZINC001350405627 890979570 /nfs/dbraw/zinc/97/95/70/890979570.db2.gz RSOIHOXRSCUXDD-RNFRBKRXSA-N 0 3 272.240 -0.916 20 5 CBBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CNCCO1 ZINC001326451081 885030913 /nfs/dbraw/zinc/03/09/13/885030913.db2.gz LFYUXZZPTJHIKD-ZETCQYMHSA-N 0 3 269.261 -0.954 20 5 CBBDHN Cc1nn(C)c(C(=O)N2CCOC3(CNC3)C2)c1[N+](=O)[O-] ZINC001333671916 887739426 /nfs/dbraw/zinc/73/94/26/887739426.db2.gz QLWKMBHJHPDRKD-UHFFFAOYSA-N 0 3 295.299 -0.549 20 5 CBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC(N[C@@H]2CCOC2)C1 ZINC001456295923 914457964 /nfs/dbraw/zinc/45/79/64/914457964.db2.gz KAUPIJAQAFVHFJ-SECBINFHSA-N 0 3 295.299 -0.619 20 5 CBBDHN COCCN(C)CCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001464790695 915010286 /nfs/dbraw/zinc/01/02/86/915010286.db2.gz LHBWOIUOCLITNQ-UHFFFAOYSA-N 0 3 299.331 -0.206 20 5 CBBDHN Cc1nnc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC001483732946 917664729 /nfs/dbraw/zinc/66/47/29/917664729.db2.gz PXOPDJOEAPRCKY-RKDXNWHRSA-N 0 3 294.315 -0.483 20 5 CBBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N(C)C ZINC000049098046 282665470 /nfs/dbraw/zinc/66/54/70/282665470.db2.gz XFIBXYMKNIVVIT-PSASIEDQSA-N 0 3 285.304 -0.782 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(CO)CC2)c1 ZINC000075626589 351668975 /nfs/dbraw/zinc/66/89/75/351668975.db2.gz XQLYWIJFYHDBOG-LBPRGKRZSA-N 0 3 284.316 -0.144 20 5 CBBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H](O)CO)cc1 ZINC000095082618 351767780 /nfs/dbraw/zinc/76/77/80/351767780.db2.gz DOASXPUDFCLNMD-MNOVXSKESA-N 0 3 256.258 -0.429 20 5 CBBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000122819702 187053562 /nfs/dbraw/zinc/05/35/62/187053562.db2.gz LAEZHRPDADSDDP-UHFFFAOYSA-N 0 3 253.262 -0.137 20 5 CBBDHN CN(C)CCN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000162119593 351977437 /nfs/dbraw/zinc/97/74/37/351977437.db2.gz QOADZFQESKCGBR-UHFFFAOYSA-N 0 3 284.320 -0.006 20 5 CBBDHN CN(C)CCOCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230723970 352274106 /nfs/dbraw/zinc/27/41/06/352274106.db2.gz UWTNDQUOFQDBBQ-UHFFFAOYSA-N 0 3 297.315 -0.120 20 5 CBBDHN COc1cc(S(=O)(=O)NC2CNC2)ccc1[N+](=O)[O-] ZINC000237228903 352302581 /nfs/dbraw/zinc/30/25/81/352302581.db2.gz OJMKBXQFULTKRW-UHFFFAOYSA-N 0 3 287.297 -0.147 20 5 CBBDHN COC[C@H]1CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293516159 352693436 /nfs/dbraw/zinc/69/34/36/352693436.db2.gz IJIWMWSMMXDVDX-KOLCDFICSA-N 0 3 270.289 -0.127 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](CO)C2)c1 ZINC000304380526 352746355 /nfs/dbraw/zinc/74/63/55/352746355.db2.gz YFEHPDRWCVORFL-JQWIXIFHSA-N 0 3 284.316 -0.144 20 5 CBBDHN CN(C)C[C@@](C)(O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000153451983 188083390 /nfs/dbraw/zinc/08/33/90/188083390.db2.gz VTYKAMIYNDTRGW-LBPRGKRZSA-N 0 3 299.331 -0.390 20 5 CBBDHN C[C@@H]1C[C@@H](O)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000340973313 353195597 /nfs/dbraw/zinc/19/55/97/353195597.db2.gz PKHWYFCBFFOZFG-IEBDPFPHSA-N 0 3 270.289 -0.393 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000358043427 353621039 /nfs/dbraw/zinc/62/10/39/353621039.db2.gz HOEPZCGMFVLZGN-LBPRGKRZSA-N 0 3 297.315 -0.636 20 5 CBBDHN CN1CC[C@@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1 ZINC000408145360 353858096 /nfs/dbraw/zinc/85/80/96/353858096.db2.gz RSWQYSBIWCNDFB-ZJUUUORDSA-N 0 3 294.315 -0.261 20 5 CBBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CO)[C@H]1CCCO1 ZINC000447921120 354308978 /nfs/dbraw/zinc/30/89/78/354308978.db2.gz JLQSDNVIMBPPGB-VXGBXAGGSA-N 0 3 297.311 -0.114 20 5 CBBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc([N+](=O)[O-])n[nH]1 ZINC000452349306 354349188 /nfs/dbraw/zinc/34/91/88/354349188.db2.gz BLVGFSPULJCFTI-VIFPVBQESA-N 0 3 297.315 -0.106 20 5 CBBDHN CN(CCNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000479135285 354407406 /nfs/dbraw/zinc/40/74/06/354407406.db2.gz VZEMQZZFTGMAKN-UHFFFAOYSA-N 0 3 268.277 -0.603 20 5 CBBDHN CN1CCC[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000519596162 354563586 /nfs/dbraw/zinc/56/35/86/354563586.db2.gz KIBXWNZSBZUUKB-QWRGUYRKSA-N 0 3 297.315 -0.637 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1O ZINC000565194899 354731199 /nfs/dbraw/zinc/73/11/99/354731199.db2.gz IPDYHCHHYMVEQD-YUMQZZPRSA-N 0 3 269.261 -0.935 20 5 CBBDHN CO[C@@H](CN)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000568393332 354823574 /nfs/dbraw/zinc/82/35/74/354823574.db2.gz SVOAPLAXLCRSLM-NSHDSACASA-N 0 3 280.284 -0.152 20 5 CBBDHN C[C@@H](CNCCn1cc([N+](=O)[O-])cn1)S(C)(=O)=O ZINC000578619176 354949800 /nfs/dbraw/zinc/94/98/00/354949800.db2.gz DBBKHRNPKBIRQR-QMMMGPOBSA-N 0 3 276.318 -0.186 20 5 CBBDHN N[C@H]1C[C@@H]2CN(c3ncccc3[N+](=O)[O-])CCN2C1=O ZINC000578787361 354955223 /nfs/dbraw/zinc/95/52/23/354955223.db2.gz MHXXJTGEGNADMQ-BDAKNGLRSA-N 0 3 277.284 -0.262 20 5 CBBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000579955938 354983812 /nfs/dbraw/zinc/98/38/12/354983812.db2.gz OTGDOEPRJDEMDT-UHFFFAOYSA-N 0 3 257.250 -0.716 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000590369430 355076072 /nfs/dbraw/zinc/07/60/72/355076072.db2.gz GHODHUCSHZUOOP-QMMMGPOBSA-N 0 3 270.289 -0.414 20 5 CBBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCNCCOC)n1 ZINC000592318139 355147220 /nfs/dbraw/zinc/14/72/20/355147220.db2.gz UXEDDMASZHNZCK-UHFFFAOYSA-N 0 3 285.304 -0.223 20 5 CBBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H](O)CO ZINC000592430494 355153099 /nfs/dbraw/zinc/15/30/99/355153099.db2.gz UVOYBECDTVDNPI-NXEZZACHSA-N 0 3 286.284 -0.723 20 5 CBBDHN [NH3+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595109651 355271665 /nfs/dbraw/zinc/27/16/65/355271665.db2.gz CCPWDJMXIHQUKK-UHFFFAOYSA-N 0 3 260.275 -0.383 20 5 CBBDHN COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2CNCCO2)c1=O ZINC000594698017 355258234 /nfs/dbraw/zinc/25/82/34/355258234.db2.gz HRKCUCYYJXNSCS-VIFPVBQESA-N 0 3 297.267 -0.469 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595757617 355305785 /nfs/dbraw/zinc/30/57/85/355305785.db2.gz NZVOCDSYWWRSQB-MVWJERBFSA-N 0 3 282.300 -0.391 20 5 CBBDHN Nc1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nc1[N+](=O)[O-] ZINC000596013649 355338489 /nfs/dbraw/zinc/33/84/89/355338489.db2.gz ITVYQHDBMIGKBY-APPZFPTMSA-N 0 3 292.299 -0.680 20 5 CBBDHN CCc1n[nH]c(C(=O)N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000597654993 355403561 /nfs/dbraw/zinc/40/35/61/355403561.db2.gz XBVNWBCWAIMDIJ-SSDOTTSWSA-N 0 3 285.304 -0.467 20 5 CBBDHN CN(CC1CN(C)C1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000598161297 355433602 /nfs/dbraw/zinc/43/36/02/355433602.db2.gz QERTVYSISISIOX-UHFFFAOYSA-N 0 3 253.262 -0.049 20 5 CBBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599940243 355519996 /nfs/dbraw/zinc/51/99/96/355519996.db2.gz NDZACYUSOMZZIC-BDAKNGLRSA-N 0 3 295.299 -0.401 20 5 CBBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599940245 355520098 /nfs/dbraw/zinc/52/00/98/355520098.db2.gz NDZACYUSOMZZIC-IUCAKERBSA-N 0 3 295.299 -0.401 20 5 CBBDHN C[C@@]1(O)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178013463 189085520 /nfs/dbraw/zinc/08/55/20/189085520.db2.gz JSRDGCSYONGVEG-WDEREUQCSA-N 0 3 270.289 -0.391 20 5 CBBDHN CN(C)CCOCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000537542533 283670487 /nfs/dbraw/zinc/67/04/87/283670487.db2.gz FJISSLDOKDQXGK-UHFFFAOYSA-N 0 3 299.331 -0.124 20 5 CBBDHN CN(C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000330610844 203036032 /nfs/dbraw/zinc/03/60/32/203036032.db2.gz OAGYLXGTNGZBCX-MRVPVSSYSA-N 0 3 283.288 -0.280 20 5 CBBDHN CCN1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000331496046 203902803 /nfs/dbraw/zinc/90/28/03/203902803.db2.gz RQAHZMXCWTYYGS-UHFFFAOYSA-N 0 3 282.304 -0.260 20 5 CBBDHN COCCN(CCN(C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270799555 372919583 /nfs/dbraw/zinc/91/95/83/372919583.db2.gz NIPYBAHQRKIHGY-UHFFFAOYSA-N 0 3 299.331 -0.022 20 5 CBBDHN CN1CC[C@](O)(CNc2ccncc2[N+](=O)[O-])C1 ZINC000361014763 373254775 /nfs/dbraw/zinc/25/47/75/373254775.db2.gz OMFCDWUNHTXVNL-NSHDSACASA-N 0 3 252.274 -0.110 20 5 CBBDHN C[C@@]1(C(N)=O)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000361558845 373310215 /nfs/dbraw/zinc/31/02/15/373310215.db2.gz YUBKVHZLBZBGBT-LLVKDONJSA-N 0 3 267.289 -0.011 20 5 CBBDHN O=C(CCOC1CNC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000515831675 373796034 /nfs/dbraw/zinc/79/60/34/373796034.db2.gz BMSSIQHIPQRLFY-UHFFFAOYSA-N 0 3 283.288 -0.714 20 5 CBBDHN N[C@@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])cn3)CCN2C1=O ZINC000575331432 374337923 /nfs/dbraw/zinc/33/79/23/374337923.db2.gz WHJWSATYOSJZES-VHSXEESVSA-N 0 3 277.284 -0.262 20 5 CBBDHN COCCN(C)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000263798148 190079112 /nfs/dbraw/zinc/07/91/12/190079112.db2.gz SEPIFQJJBBOEOD-UHFFFAOYSA-N 0 3 285.304 -0.514 20 5 CBBDHN O=C(CCN1C[C@@H](O)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278859163 194186776 /nfs/dbraw/zinc/18/67/76/194186776.db2.gz RXHMSUIAWSLIFG-TXEJJXNPSA-N 0 3 295.295 -0.039 20 5 CBBDHN COC(=O)[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266515210 190262972 /nfs/dbraw/zinc/26/29/72/190262972.db2.gz YRTIZBCRZFMQFT-ONGXEEELSA-N 0 3 298.299 -0.353 20 5 CBBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000266564197 190267125 /nfs/dbraw/zinc/26/71/25/190267125.db2.gz YXLBUENQGHFVFL-KOLCDFICSA-N 0 3 270.289 -0.127 20 5 CBBDHN C[C@H]1C[C@@H](O)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429117927 208108907 /nfs/dbraw/zinc/10/89/07/208108907.db2.gz RFWFOFWRSKSFFB-ZMLRMANQSA-N 0 3 284.316 -0.003 20 5 CBBDHN O=[N+]([O-])c1ccn(CCN2CCc3n[nH]nc3C2)n1 ZINC000429309795 208119647 /nfs/dbraw/zinc/11/96/47/208119647.db2.gz VFCUDGKBQFSIIY-UHFFFAOYSA-N 0 3 263.261 -0.032 20 5 CBBDHN CSCC[C@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000353768021 220317715 /nfs/dbraw/zinc/31/77/15/220317715.db2.gz ORNYQACVXIWCKQ-VIFPVBQESA-N 0 3 287.345 -0.012 20 5 CBBDHN O=C(NCCCN1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285382468 196267394 /nfs/dbraw/zinc/26/73/94/196267394.db2.gz CTXPHCXIELBTLP-UHFFFAOYSA-N 0 3 297.315 -0.106 20 5 CBBDHN CN(C)CCN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000266959535 419602997 /nfs/dbraw/zinc/60/29/97/419602997.db2.gz HINNALHBODXTNS-UHFFFAOYSA-N 0 3 282.300 -0.224 20 5 CBBDHN CN(C)CCOCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000354066893 419845199 /nfs/dbraw/zinc/84/51/99/419845199.db2.gz XYOMBBUTOOKTSD-UHFFFAOYSA-N 0 3 270.293 -0.621 20 5 CBBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000359799737 419987926 /nfs/dbraw/zinc/98/79/26/419987926.db2.gz SWASRWLBLTVEPJ-LBPRGKRZSA-N 0 3 297.315 -0.386 20 5 CBBDHN Nc1nc(NC[C@H]2CCCCN2CCO)ncc1[N+](=O)[O-] ZINC000450615654 420299296 /nfs/dbraw/zinc/29/92/96/420299296.db2.gz OOLHUMMAAGGWRS-SECBINFHSA-N 0 3 296.331 -0.352 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000597653159 420489585 /nfs/dbraw/zinc/48/95/85/420489585.db2.gz HKENUBMUSZMQEX-SSDOTTSWSA-N 0 3 283.288 -0.776 20 5 CBBDHN CNc1nccc(C(=O)N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000597654494 420489640 /nfs/dbraw/zinc/48/96/40/420489640.db2.gz RSRKLIURJFFCMU-MRVPVSSYSA-N 0 3 297.315 -0.316 20 5 CBBDHN Nc1ccc(NCCN2CC[C@@H](O)C2)nc1[N+](=O)[O-] ZINC000599176026 420491402 /nfs/dbraw/zinc/49/14/02/420491402.db2.gz ORPFGUQNKZXXHQ-MRVPVSSYSA-N 0 3 267.289 0.051 20 5 CBBDHN O=[N+]([O-])c1cnc2ccc(NCCN3CC[C@H](O)C3)nn21 ZINC000599199833 420491849 /nfs/dbraw/zinc/49/18/49/420491849.db2.gz RYVIVPANFJAEIV-VIFPVBQESA-N 0 3 292.299 0.116 20 5 CBBDHN COCCNCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000212743324 262188843 /nfs/dbraw/zinc/18/88/43/262188843.db2.gz WFMOTTVLUXSAOW-UHFFFAOYSA-N 0 3 270.289 -0.101 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000358061448 277183682 /nfs/dbraw/zinc/18/36/82/277183682.db2.gz GIWFHEIXJADGGN-ZDUSSCGKSA-N 0 3 294.311 -0.027 20 5 CBBDHN CO[C@@H]1COC[C@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000576343068 335191934 /nfs/dbraw/zinc/19/19/34/335191934.db2.gz GYQAHKNLBPSKFS-RKDXNWHRSA-N 0 3 256.262 -0.205 20 5 CBBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC000580714357 335959100 /nfs/dbraw/zinc/95/91/00/335959100.db2.gz SNEYTWKSWHUOSH-QMMMGPOBSA-N 0 3 297.315 -0.011 20 5 CBBDHN CN(C)C[C@@H](O)CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000728051197 582143247 /nfs/dbraw/zinc/14/32/47/582143247.db2.gz REWQGZOSEMTBII-LURJTMIESA-N 0 3 256.266 -0.699 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN[C@H]2CCCS(=O)(=O)C2)c1 ZINC000775414538 582352547 /nfs/dbraw/zinc/35/25/47/582352547.db2.gz NUMOVBNDMKZILG-VIFPVBQESA-N 0 3 288.329 -0.042 20 5 CBBDHN CCN(CC)CC(=O)N1CCN(CC[N+](=O)[O-])CC1 ZINC000791053432 582392360 /nfs/dbraw/zinc/39/23/60/582392360.db2.gz STJNXBKHMQSMEH-UHFFFAOYSA-N 0 3 272.349 -0.251 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000808171938 582441901 /nfs/dbraw/zinc/44/19/01/582441901.db2.gz OPYYVJQUTTWHFU-VIFPVBQESA-N 0 3 282.300 -0.171 20 5 CBBDHN COCC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813114944 582453934 /nfs/dbraw/zinc/45/39/34/582453934.db2.gz YFFSCYUHXZTQHI-SCZZXKLOSA-N 0 3 276.289 -0.018 20 5 CBBDHN O=[N+]([O-])c1ccn(Cc2nc(N3CCNCC3)no2)n1 ZINC000823335816 582667011 /nfs/dbraw/zinc/66/70/11/582667011.db2.gz YRXHYLJGGOWBMR-UHFFFAOYSA-N 0 3 279.260 -0.368 20 5 CBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@]1(F)CCNC1 ZINC000831411783 582979971 /nfs/dbraw/zinc/97/99/71/582979971.db2.gz IUDUOPGNEHLVPI-JTQLQIEISA-N 0 3 271.252 -0.391 20 5 CBBDHN Nc1ccc(C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000842509815 583184536 /nfs/dbraw/zinc/18/45/36/583184536.db2.gz HUDLMYKOBXPHBI-SECBINFHSA-N 0 3 280.284 -0.105 20 5 CBBDHN C[C@@H](O)[C@@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843062099 583199270 /nfs/dbraw/zinc/19/92/70/583199270.db2.gz LURSNGXHSPLPQK-FXAINCCUSA-N 0 3 270.285 -0.041 20 5 CBBDHN C[C@@](O)(CO)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843080916 583200848 /nfs/dbraw/zinc/20/08/48/583200848.db2.gz MIKYUOHNSMRQAT-NEPJUHHUSA-N 0 3 270.285 -0.039 20 5 CBBDHN C[C@@](O)(CO)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843080918 583200858 /nfs/dbraw/zinc/20/08/58/583200858.db2.gz MIKYUOHNSMRQAT-RYUDHWBXSA-N 0 3 270.285 -0.039 20 5 CBBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2COC[C@H]2O)c1 ZINC000843117608 583203792 /nfs/dbraw/zinc/20/37/92/583203792.db2.gz QQTMOTRANDWEHR-GRYCIOLGSA-N 0 3 268.269 -0.023 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854463480 583603817 /nfs/dbraw/zinc/60/38/17/583603817.db2.gz BZSBIOYWJAKVCQ-SECBINFHSA-N 0 3 261.322 -0.139 20 5 CBBDHN CN(C)CCONC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000854947305 583629461 /nfs/dbraw/zinc/62/94/61/583629461.db2.gz POOWDDYUSPFGEF-UHFFFAOYSA-N 0 3 271.277 -0.209 20 5 CBBDHN O=C1OC[C@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000860159339 583739883 /nfs/dbraw/zinc/73/98/83/583739883.db2.gz DVCNJXCNFWGRHL-DVVUODLYSA-N 0 3 296.283 -0.743 20 5 CBBDHN COC(=O)[C@@H]1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])O1 ZINC000860777425 583754829 /nfs/dbraw/zinc/75/48/29/583754829.db2.gz PVDDXODQIDZDPV-BIIVOSGPSA-N 0 3 261.230 -0.085 20 5 CBBDHN CC(COC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[N+](=O)[O-] ZINC000860777208 583754836 /nfs/dbraw/zinc/75/48/36/583754836.db2.gz MJLNUQQKQOPFSK-IUCAKERBSA-N 0 3 294.329 -0.134 20 5 CBBDHN CN(C)CCN1CCN(c2c([N+](=O)[O-])cnn2C)CC1=O ZINC000894382472 584657023 /nfs/dbraw/zinc/65/70/23/584657023.db2.gz OLAYQDXPDVJSDK-UHFFFAOYSA-N 0 3 296.331 -0.462 20 5 CBBDHN C[C@@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000928447578 659023862 /nfs/dbraw/zinc/02/38/62/659023862.db2.gz KZNJUUDLIITELC-MWLCHTKSSA-N 0 3 294.311 -0.035 20 5 CBBDHN CN1C2(CCC2)COC[C@@]1(CO)CNCC[N+](=O)[O-] ZINC000905389952 656356169 /nfs/dbraw/zinc/35/61/69/656356169.db2.gz NFMDTKPTGCUOBC-LBPRGKRZSA-N 0 3 273.333 -0.532 20 5 CBBDHN O=C(NCC1CN(C(=O)c2ccn[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001795871 656822407 /nfs/dbraw/zinc/82/24/07/656822407.db2.gz LUSLNXSMIQXJOA-PSASIEDQSA-N 0 3 293.283 -0.737 20 5 CBBDHN NC(=O)CCN[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000916577338 657779984 /nfs/dbraw/zinc/77/99/84/657779984.db2.gz RVHVSNNYMORZNU-PWSUYJOCSA-N 0 3 283.284 -0.546 20 5 CBBDHN Cn1cnnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138961 658016795 /nfs/dbraw/zinc/01/67/95/658016795.db2.gz JTZFROUGVMXKCD-ZYUZMQFOSA-N 0 3 294.315 -0.783 20 5 CBBDHN COC(=O)[C@]12CN(CC[N+](=O)[O-])C[C@H]1COCC2 ZINC000930288662 659247513 /nfs/dbraw/zinc/24/75/13/659247513.db2.gz NJDKSYCRGXUJAP-GXSJLCMTSA-N 0 3 258.274 -0.225 20 5 CBBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2CCO ZINC001039583181 801298431 /nfs/dbraw/zinc/29/84/31/801298431.db2.gz GDGCTUXKXVFMKN-WRWGMCAJSA-N 0 3 283.328 -0.291 20 5 CBBDHN CN(c1cc([N+](=O)[O-])ccn1)S(=O)(=O)CCN ZINC001156231426 815346475 /nfs/dbraw/zinc/34/64/75/815346475.db2.gz GCSUKYKEIJLZJP-UHFFFAOYSA-N 0 3 260.275 -0.286 20 5 CBBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)S(=O)(=O)CCN ZINC001156238310 815348741 /nfs/dbraw/zinc/34/87/41/815348741.db2.gz IGXQTPLZFSAMHG-UHFFFAOYSA-N 0 3 290.301 -0.739 20 5 CBBDHN CCc1noc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157775643 815465923 /nfs/dbraw/zinc/46/59/23/815465923.db2.gz UDDMDMQELQPRIV-RKDXNWHRSA-N 0 3 297.315 -0.107 20 5 CBBDHN O=C(NCCCNCc1nncs1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767801 815462761 /nfs/dbraw/zinc/46/27/61/815462761.db2.gz VFDRXTGXPLAUNJ-HTQZYQBOSA-N 0 3 285.329 -0.201 20 5 CBBDHN O=C(NC[C@H]1CCCN1CCCO)c1[nH]ncc1[N+](=O)[O-] ZINC001159091736 815558755 /nfs/dbraw/zinc/55/87/55/815558755.db2.gz QUYMFQWQKQFHQY-SECBINFHSA-N 0 3 297.315 -0.106 20 5 CBBDHN COCc1nc2n(n1)C[C@@H](NCC[N+](=O)[O-])CC2 ZINC001120274042 812946872 /nfs/dbraw/zinc/94/68/72/812946872.db2.gz XLSLFJQRXCOFRV-QMMMGPOBSA-N 0 3 255.278 -0.394 20 5 CBBDHN CCn1ccnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932461 813695063 /nfs/dbraw/zinc/69/50/63/813695063.db2.gz YVRAPIHZZMCVII-NXEZZACHSA-N 0 3 281.316 -0.226 20 5 CBBDHN O=C(NCCNCc1cc2n(n1)CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001126936446 813696550 /nfs/dbraw/zinc/69/65/50/813696550.db2.gz IJMQRRNVIKMLOB-VXGBXAGGSA-N 0 3 293.327 -0.300 20 5 CBBDHN Cc1ncoc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936633 813696956 /nfs/dbraw/zinc/69/69/56/813696956.db2.gz NHCLTXMAZBTDDA-RKDXNWHRSA-N 0 3 268.273 -0.146 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001138061745 814597996 /nfs/dbraw/zinc/59/79/96/814597996.db2.gz TYVGEXYCKLUVDO-CYBMUJFWSA-N 0 3 294.311 -0.027 20 5 CBBDHN NCc1ccnn1-c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001162586392 815834893 /nfs/dbraw/zinc/83/48/93/815834893.db2.gz VONRVFGIWIHMME-UHFFFAOYSA-N 0 3 262.229 -0.267 20 5 CBBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001302247014 816754659 /nfs/dbraw/zinc/75/46/59/816754659.db2.gz JXJUIGOLTNWZBG-QMMMGPOBSA-N 0 3 297.315 -0.107 20 5 CBBDHN CN(CCNc1ccncc1[N+](=O)[O-])CCOCCO ZINC001307194392 816798314 /nfs/dbraw/zinc/79/83/14/816798314.db2.gz GQSWUVGHGQDVFG-UHFFFAOYSA-N 0 3 284.316 -0.236 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC001320227637 817299032 /nfs/dbraw/zinc/29/90/32/817299032.db2.gz DTHQAEULVMMKBQ-LLVKDONJSA-N 0 3 283.288 -0.875 20 5 CBBDHN Cc1nn(C)c(C(=O)NC[C@@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC001321134967 817447604 /nfs/dbraw/zinc/44/76/04/817447604.db2.gz CBFPSCRNUWPDSQ-LBPRGKRZSA-N 0 3 297.315 -0.567 20 5 CBBDHN COc1nc(C)nc(-n2nncc2CN)c1[N+](=O)[O-] ZINC001169304232 820225970 /nfs/dbraw/zinc/22/59/70/820225970.db2.gz SUDRGJOFZPZXHR-UHFFFAOYSA-N 0 3 265.233 -0.259 20 5 CBBDHN COC(=O)c1cc([N+](=O)[O-])ncc1-n1nncc1CN ZINC001169311905 820228545 /nfs/dbraw/zinc/22/85/45/820228545.db2.gz IJSYJWVHKSZYON-UHFFFAOYSA-N 0 3 278.228 -0.184 20 5 CBBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)n1)[C@H]1CNCCO1 ZINC001170564569 820306302 /nfs/dbraw/zinc/30/63/02/820306302.db2.gz QGHSIZBVLIEVGX-VXNVDRBHSA-N 0 3 295.299 -0.123 20 5 CBBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)[C@H]1CNCCO1 ZINC001170565221 820307029 /nfs/dbraw/zinc/30/70/29/820307029.db2.gz UKCPESCBKXOZME-OIBJUYFYSA-N 0 3 295.299 -0.123 20 5 CBBDHN COC(=O)[C@@H]1CNCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246857190 825723049 /nfs/dbraw/zinc/72/30/49/825723049.db2.gz LRQWMLSLTUUOFM-AXFHLTTASA-N 0 3 271.317 -0.121 20 5 CBBDHN C[C@@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CN2CCC1CC2 ZINC001278805995 828291253 /nfs/dbraw/zinc/29/12/53/828291253.db2.gz LKHVSTXUULGFPM-GFCCVEGCSA-N 0 3 294.315 -0.213 20 5 CBBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CCN(C)C2)n1 ZINC001447363203 913062526 /nfs/dbraw/zinc/06/25/26/913062526.db2.gz RLDPXVSKNJEPPK-LBPRGKRZSA-N 0 3 297.315 -0.392 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H](CO)[C@H](CO)C2)c1 ZINC001331431708 886807363 /nfs/dbraw/zinc/80/73/63/886807363.db2.gz DMZNQHQHBGYGEY-UWVGGRQHSA-N 0 3 270.289 -0.676 20 5 CBBDHN Cc1nn(C)c(C(=O)NCCN(C)CCO)c1[N+](=O)[O-] ZINC001559032452 924210436 /nfs/dbraw/zinc/21/04/36/924210436.db2.gz VFELDLKKJOAGSL-UHFFFAOYSA-N 0 3 285.304 -0.709 20 5 CBBDHN O=C(NCCNc1ccncc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000351964895 219267040 /nfs/dbraw/zinc/26/70/40/219267040.db2.gz QNOBBUPWNUTEFM-UHFFFAOYSA-N 0 3 276.256 -0.023 20 5 CBBDHN CN(C)CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000048438989 351472625 /nfs/dbraw/zinc/47/26/25/351472625.db2.gz IDWQCAIULVKAJV-UHFFFAOYSA-N 0 3 254.246 -0.583 20 5 CBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NCCN1CCCCC1 ZINC000048892497 351481929 /nfs/dbraw/zinc/48/19/29/351481929.db2.gz TUCNTFHYTYUHEJ-UHFFFAOYSA-N 0 3 282.304 -0.212 20 5 CBBDHN Cn1nccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000071333775 351643161 /nfs/dbraw/zinc/64/31/61/351643161.db2.gz FEWPFBQTLIZMTN-LLVKDONJSA-N 0 3 280.288 -0.325 20 5 CBBDHN CC(C)CN(CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075624272 351668965 /nfs/dbraw/zinc/66/89/65/351668965.db2.gz QPKAMBIYBOAGIQ-LLVKDONJSA-N 0 3 299.331 -0.405 20 5 CBBDHN COCCN(C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269997 351676015 /nfs/dbraw/zinc/67/60/15/351676015.db2.gz MNBXFYFHTGGXOG-UHFFFAOYSA-N 0 3 270.293 -0.043 20 5 CBBDHN C[C@]1(O)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000124082434 187121581 /nfs/dbraw/zinc/12/15/81/187121581.db2.gz ICPORKCTRWXGMI-RYUDHWBXSA-N 0 3 284.316 -0.001 20 5 CBBDHN O=C(NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])o1 ZINC000134257611 351904245 /nfs/dbraw/zinc/90/42/45/351904245.db2.gz QMYAQZUYQNFIHF-SSDOTTSWSA-N 0 3 255.230 -0.094 20 5 CBBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000228748619 352265317 /nfs/dbraw/zinc/26/53/17/352265317.db2.gz BSWHYYOBMLFVTM-LBPRGKRZSA-N 0 3 284.316 -0.024 20 5 CBBDHN CCN(C)C(=O)[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000231849571 352277938 /nfs/dbraw/zinc/27/79/38/352277938.db2.gz HVSMZXRAPYCNQJ-ONGXEEELSA-N 0 3 299.331 -0.391 20 5 CBBDHN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CN1 ZINC000237442322 352305246 /nfs/dbraw/zinc/30/52/46/352305246.db2.gz ACUVQDZZCZTGAN-ZJUUUORDSA-N 0 3 294.311 -0.035 20 5 CBBDHN NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237950444 352312204 /nfs/dbraw/zinc/31/22/04/352312204.db2.gz RGRWFGZPJPEGHB-UHFFFAOYSA-N 0 3 298.324 -0.101 20 5 CBBDHN COCCNCCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000262090875 352406461 /nfs/dbraw/zinc/40/64/61/352406461.db2.gz GVUKXKJIVDQSBT-UHFFFAOYSA-N 0 3 285.304 -0.548 20 5 CBBDHN C[C@]1(C(N)=O)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000280820584 352598465 /nfs/dbraw/zinc/59/84/65/352598465.db2.gz USWZXVQKSIMFDJ-NSHDSACASA-N 0 3 267.289 -0.011 20 5 CBBDHN COC[C@@H]1CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293516161 352693505 /nfs/dbraw/zinc/69/35/05/352693505.db2.gz IJIWMWSMMXDVDX-ONGXEEELSA-N 0 3 270.289 -0.127 20 5 CBBDHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000305764400 352750563 /nfs/dbraw/zinc/75/05/63/352750563.db2.gz PHAHWUNPXZMYNF-ADEWGFFLSA-N 0 3 284.316 -0.145 20 5 CBBDHN CN(C)CCN(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000330580913 352851910 /nfs/dbraw/zinc/85/19/10/352851910.db2.gz UHLLGGPUYRUMEP-UHFFFAOYSA-N 0 3 255.278 -0.038 20 5 CBBDHN Cc1n[nH]c(C(=O)NC[C@@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000337447397 353083935 /nfs/dbraw/zinc/08/39/35/353083935.db2.gz JBCGOUQWAGSEMD-LLVKDONJSA-N 0 3 285.304 -0.331 20 5 CBBDHN COCCCN(C)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000152525036 188025808 /nfs/dbraw/zinc/02/58/08/188025808.db2.gz NJTKBDFLUCLILP-UHFFFAOYSA-N 0 3 299.331 -0.124 20 5 CBBDHN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CN2CCC1CC2 ZINC000347956974 353401817 /nfs/dbraw/zinc/40/18/17/353401817.db2.gz UMEJMDZMYCQPTK-JTQLQIEISA-N 0 3 294.315 -0.261 20 5 CBBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCCNc1ccncc1 ZINC000347978790 353402820 /nfs/dbraw/zinc/40/28/20/353402820.db2.gz OEDMCTWGAOAKJH-UHFFFAOYSA-N 0 3 290.283 -0.013 20 5 CBBDHN CN1CCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000353960101 353536547 /nfs/dbraw/zinc/53/65/47/353536547.db2.gz MUQOHMCTLVAPCV-MRVPVSSYSA-N 0 3 268.277 -0.603 20 5 CBBDHN CN(CCN(C)C1CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354093635 353543322 /nfs/dbraw/zinc/54/33/22/353543322.db2.gz SJBPYLDMVLFNEI-UHFFFAOYSA-N 0 3 282.304 -0.261 20 5 CBBDHN CN(C)CCOCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354727481 353581097 /nfs/dbraw/zinc/58/10/97/353581097.db2.gz WAJFFOZGONYQDR-UHFFFAOYSA-N 0 3 271.277 -0.374 20 5 CBBDHN CN1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000358324665 353638179 /nfs/dbraw/zinc/63/81/79/353638179.db2.gz UUEDIVCJUNDTAM-SNVBAGLBSA-N 0 3 253.262 -0.137 20 5 CBBDHN CN1CC[C@@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000408145354 353858334 /nfs/dbraw/zinc/85/83/34/353858334.db2.gz RSWQYSBIWCNDFB-NXEZZACHSA-N 0 3 294.315 -0.261 20 5 CBBDHN COC(=O)N1CC(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000496420232 354544818 /nfs/dbraw/zinc/54/48/18/354544818.db2.gz SJQJERDGWLIVGI-SNVBAGLBSA-N 0 3 299.287 -0.808 20 5 CBBDHN CO[C@H](CN)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000568393331 354823486 /nfs/dbraw/zinc/82/34/86/354823486.db2.gz SVOAPLAXLCRSLM-LLVKDONJSA-N 0 3 280.284 -0.152 20 5 CBBDHN CO[C@@H]1COC[C@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000568997316 354835941 /nfs/dbraw/zinc/83/59/41/354835941.db2.gz KZJNHTNFCNEYKR-NXEZZACHSA-N 0 3 256.262 -0.205 20 5 CBBDHN O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NC1CNC1 ZINC000569822289 354846954 /nfs/dbraw/zinc/84/69/54/354846954.db2.gz DIYDAVVUISCTOP-UHFFFAOYSA-N 0 3 292.295 -0.659 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1O ZINC000573653701 354917335 /nfs/dbraw/zinc/91/73/35/354917335.db2.gz RQLIIXHWGOLERK-UWVGGRQHSA-N 0 3 268.273 -0.330 20 5 CBBDHN N[C@@H]1C[C@@H]2CN(c3ncccc3[N+](=O)[O-])CCN2C1=O ZINC000578787364 354955453 /nfs/dbraw/zinc/95/54/53/354955453.db2.gz MHXXJTGEGNADMQ-RKDXNWHRSA-N 0 3 277.284 -0.262 20 5 CBBDHN Cc1nn(C)c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000579528883 354972060 /nfs/dbraw/zinc/97/20/60/354972060.db2.gz MGOGTQVIRQEJMG-IUCAKERBSA-N 0 3 297.315 -0.616 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000590369690 355076144 /nfs/dbraw/zinc/07/61/44/355076144.db2.gz KDGOVCGGECQMOS-QMMMGPOBSA-N 0 3 268.273 -0.358 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1O ZINC000590553668 355083345 /nfs/dbraw/zinc/08/33/45/355083345.db2.gz ICCKVMVIGYCHKS-YUMQZZPRSA-N 0 3 269.257 -0.065 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000588863670 355061950 /nfs/dbraw/zinc/06/19/50/355061950.db2.gz BIZLZDCHSJZIEZ-VIFPVBQESA-N 0 3 285.304 -0.780 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CO)CN(C)C ZINC000588864658 355062120 /nfs/dbraw/zinc/06/21/20/355062120.db2.gz LTCFJBHFTYCSHL-JTQLQIEISA-N 0 3 299.331 -0.471 20 5 CBBDHN Cc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000591740911 355112161 /nfs/dbraw/zinc/11/21/61/355112161.db2.gz GHZPSIGBJUBOMO-LLVKDONJSA-N 0 3 280.288 -0.026 20 5 CBBDHN Cc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC000591740911 355112166 /nfs/dbraw/zinc/11/21/66/355112166.db2.gz GHZPSIGBJUBOMO-LLVKDONJSA-N 0 3 280.288 -0.026 20 5 CBBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C1 ZINC000592365773 355150054 /nfs/dbraw/zinc/15/00/54/355150054.db2.gz CPAZHEYSVFXBEJ-SSDOTTSWSA-N 0 3 272.286 -0.370 20 5 CBBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H](O)CO ZINC000592430496 355152608 /nfs/dbraw/zinc/15/26/08/355152608.db2.gz UVOYBECDTVDNPI-VHSXEESVSA-N 0 3 286.284 -0.723 20 5 CBBDHN NC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000594451930 355248734 /nfs/dbraw/zinc/24/87/34/355248734.db2.gz TYMVPMZLHATBRY-ZCFIWIBFSA-N 0 3 281.194 -0.203 20 5 CBBDHN C[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595103082 355271644 /nfs/dbraw/zinc/27/16/44/355271644.db2.gz WMSUWFOOHIAOMG-UHFFFAOYSA-N 0 3 260.275 -0.513 20 5 CBBDHN CC[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595102340 355271738 /nfs/dbraw/zinc/27/17/38/355271738.db2.gz KCAMVWDLPRNAPS-UHFFFAOYSA-N 0 3 274.302 -0.122 20 5 CBBDHN CN(C)C[C@@H](CO)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596242365 355350372 /nfs/dbraw/zinc/35/03/72/355350372.db2.gz FVTRKAHVPPICSZ-ZETCQYMHSA-N 0 3 283.288 -0.577 20 5 CBBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCOC2(CNC2)C1 ZINC000596580990 355358963 /nfs/dbraw/zinc/35/89/63/355358963.db2.gz URGVTJXFRDAOCN-UHFFFAOYSA-N 0 3 292.295 -0.009 20 5 CBBDHN CCc1n[n-]c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600531246 355556811 /nfs/dbraw/zinc/55/68/11/355556811.db2.gz GEBAQHCHRCPPNB-MRVPVSSYSA-N 0 3 297.315 -0.323 20 5 CBBDHN CCc1n[n-]c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600531246 355556815 /nfs/dbraw/zinc/55/68/15/355556815.db2.gz GEBAQHCHRCPPNB-MRVPVSSYSA-N 0 3 297.315 -0.323 20 5 CBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CC[C@@H](O)C1 ZINC000600530149 355557066 /nfs/dbraw/zinc/55/70/66/355557066.db2.gz AXPKQVFGTRVKNM-LLVKDONJSA-N 0 3 297.315 -0.636 20 5 CBBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610714623 355786052 /nfs/dbraw/zinc/78/60/52/355786052.db2.gz ZZTGSHMQWFOHBW-WPRPVWTQSA-N 0 3 294.315 -0.215 20 5 CBBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000618923310 356200438 /nfs/dbraw/zinc/20/04/38/356200438.db2.gz DUSQOWXTTWKDNS-GFCCVEGCSA-N 0 3 297.315 -0.153 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000360842331 373240349 /nfs/dbraw/zinc/24/03/49/373240349.db2.gz WDOGQGQFTYQLSL-NSHDSACASA-N 0 3 283.288 -0.875 20 5 CBBDHN CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CCO1 ZINC000356208538 248213467 /nfs/dbraw/zinc/21/34/67/248213467.db2.gz DYZADRBFANCGIF-VIFPVBQESA-N 0 3 297.315 -0.269 20 5 CBBDHN O=[N+]([O-])c1ccn(CCN2[C@H](CO)CC[C@H]2CO)n1 ZINC000347292531 218180602 /nfs/dbraw/zinc/18/06/02/218180602.db2.gz BVFQCQLCIXKUOK-UWVGGRQHSA-N 0 3 270.289 -0.391 20 5 CBBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347793265 218358975 /nfs/dbraw/zinc/35/89/75/218358975.db2.gz NQSZFRQHAZYAKQ-UHFFFAOYSA-N 0 3 284.316 -0.023 20 5 CBBDHN CN(C)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000339682422 419703516 /nfs/dbraw/zinc/70/35/16/419703516.db2.gz IKQIZGPCYRDRJR-VIFPVBQESA-N 0 3 296.331 0.124 20 5 CBBDHN CCN1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000391568002 420206987 /nfs/dbraw/zinc/20/69/87/420206987.db2.gz BYGOBVWWGMJEMN-KOLCDFICSA-N 0 3 297.315 -0.637 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H](O)C3(CC3)C2)c1 ZINC000368787687 420144979 /nfs/dbraw/zinc/14/49/79/420144979.db2.gz ZHILTRASWCRVFB-MNOVXSKESA-N 0 3 282.300 -0.391 20 5 CBBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405283343 420226649 /nfs/dbraw/zinc/22/66/49/420226649.db2.gz CUUWRDZYOAGAOM-DTWKUNHWSA-N 0 3 280.284 -0.186 20 5 CBBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405283343 420226653 /nfs/dbraw/zinc/22/66/53/420226653.db2.gz CUUWRDZYOAGAOM-DTWKUNHWSA-N 0 3 280.284 -0.186 20 5 CBBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405283343 420226656 /nfs/dbraw/zinc/22/66/56/420226656.db2.gz CUUWRDZYOAGAOM-DTWKUNHWSA-N 0 3 280.284 -0.186 20 5 CBBDHN O=[N+]([O-])c1cnc(N2CCN3C[C@H](O)C[C@H]3C2)nc1 ZINC000405282007 420227068 /nfs/dbraw/zinc/22/70/68/420227068.db2.gz WCIYGPYYNBYPSM-WCBMZHEXSA-N 0 3 265.273 -0.360 20 5 CBBDHN CN1CC[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC000450787119 420298891 /nfs/dbraw/zinc/29/88/91/420298891.db2.gz IAJMCDOUYKHLLM-APPZFPTMSA-N 0 3 264.289 0.107 20 5 CBBDHN [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[n-]3)CCN2C1=O ZINC000519613890 420384089 /nfs/dbraw/zinc/38/40/89/420384089.db2.gz LJSRUQLAUWBCJW-YUMQZZPRSA-N 0 3 293.283 -0.693 20 5 CBBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCN2C1=O ZINC000519613890 420384092 /nfs/dbraw/zinc/38/40/92/420384092.db2.gz LJSRUQLAUWBCJW-YUMQZZPRSA-N 0 3 293.283 -0.693 20 5 CBBDHN CCN(CCO)CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000568105897 420450251 /nfs/dbraw/zinc/45/02/51/420450251.db2.gz BLOHOSGMQBBBBD-UHFFFAOYSA-N 0 3 297.315 -0.384 20 5 CBBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000572563230 420456722 /nfs/dbraw/zinc/45/67/22/420456722.db2.gz KODWHLKDZYJOEH-GFCCVEGCSA-N 0 3 297.315 -0.386 20 5 CBBDHN C[C@@H]1CCNC(=O)[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000193661090 262225576 /nfs/dbraw/zinc/22/55/76/262225576.db2.gz FISIAIIDJGUWSL-BXKDBHETSA-N 0 3 294.311 -0.129 20 5 CBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CNCCO1 ZINC000519763151 265595211 /nfs/dbraw/zinc/59/52/11/265595211.db2.gz GCDJATABUJCCQA-JTQLQIEISA-N 0 3 283.288 -0.714 20 5 CBBDHN CN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](CN)C1 ZINC000519774504 265604578 /nfs/dbraw/zinc/60/45/78/265604578.db2.gz RZDLGZUMXYMSMR-SSDOTTSWSA-N 0 3 268.277 -0.967 20 5 CBBDHN C[C@@H](O)CN(CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000289738514 278394049 /nfs/dbraw/zinc/39/40/49/278394049.db2.gz JKPINJNVOOHFKC-SNVBAGLBSA-N 0 3 285.300 -0.568 20 5 CBBDHN CO[C@@H]1COC[C@@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570155591 327572304 /nfs/dbraw/zinc/57/23/04/327572304.db2.gz NUJXGPKCNNQGCL-GARJFASQSA-N 0 3 286.288 -0.844 20 5 CBBDHN CC(=O)NCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576277139 335181247 /nfs/dbraw/zinc/18/12/47/335181247.db2.gz QPMJWYGMCIIXDQ-NSHDSACASA-N 0 3 285.304 -0.780 20 5 CBBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)NCCN(C)C ZINC000565208099 334544916 /nfs/dbraw/zinc/54/49/16/334544916.db2.gz ZBCAZTCUNWWOAE-QMMMGPOBSA-N 0 3 297.315 -0.281 20 5 CBBDHN Cc1nn(C)c(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000577887146 335417448 /nfs/dbraw/zinc/41/74/48/335417448.db2.gz GKIIIQGYLOHIGA-DTWKUNHWSA-N 0 3 294.315 -0.615 20 5 CBBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[NH2+]C1 ZINC000579025440 335702266 /nfs/dbraw/zinc/70/22/66/335702266.db2.gz CPAZHEYSVFXBEJ-ZETCQYMHSA-N 0 3 272.286 -0.370 20 5 CBBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC(CO)CO)cc1 ZINC000134757671 582125180 /nfs/dbraw/zinc/12/51/80/582125180.db2.gz UAPNQZSNZLAKEC-NSHDSACASA-N 0 3 256.258 -0.429 20 5 CBBDHN CC(COC(=O)CCn1cnccc1=O)[N+](=O)[O-] ZINC000797284448 582413204 /nfs/dbraw/zinc/41/32/04/582413204.db2.gz XMFYSZCAZRKOQV-MRVPVSSYSA-N 0 3 255.230 -0.158 20 5 CBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](CO)CN1CCCC1 ZINC000808218550 582442284 /nfs/dbraw/zinc/44/22/84/582442284.db2.gz JDHMBGHSTUYSON-JTQLQIEISA-N 0 3 297.315 -0.636 20 5 CBBDHN CC(COC(=O)Cn1nnc2ccccc2c1=O)[N+](=O)[O-] ZINC000813113588 582453929 /nfs/dbraw/zinc/45/39/29/582453929.db2.gz GRUHQXQYZWGAHR-QMMMGPOBSA-N 0 3 292.251 0.000 20 5 CBBDHN CC(COC(=O)CCn1ncn(C)c1=O)[N+](=O)[O-] ZINC000816091125 582472104 /nfs/dbraw/zinc/47/21/04/582472104.db2.gz LSHBZMMGGNFMQV-ZETCQYMHSA-N 0 3 258.234 -0.820 20 5 CBBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CNCCO1 ZINC000818011691 582498199 /nfs/dbraw/zinc/49/81/99/582498199.db2.gz LXBWOCPYKAKGFQ-VIFPVBQESA-N 0 3 280.284 -0.105 20 5 CBBDHN COC(=O)[C@@H](O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843085908 583201086 /nfs/dbraw/zinc/20/10/86/583201086.db2.gz DXUBHNXTSYMHBN-MNOVXSKESA-N 0 3 284.268 -0.248 20 5 CBBDHN CNC(=O)[C@H](O)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843112166 583203109 /nfs/dbraw/zinc/20/31/09/583203109.db2.gz WUDZHCMTUYLVLN-GHMZBOCLSA-N 0 3 283.284 -0.675 20 5 CBBDHN Cc1nn(CC(=O)OCC(C)[N+](=O)[O-])c(=O)n1C ZINC000847714440 583414924 /nfs/dbraw/zinc/41/49/24/583414924.db2.gz UJTJVHBVHMUFJJ-LURJTMIESA-N 0 3 258.234 -0.901 20 5 CBBDHN CNCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000850586712 583501688 /nfs/dbraw/zinc/50/16/88/583501688.db2.gz DFFKAWDZXPYBIA-UHFFFAOYSA-N 0 3 274.302 -0.170 20 5 CBBDHN CC(COC(=O)C1(n2cnnn2)CCOCC1)[N+](=O)[O-] ZINC000851037533 583510644 /nfs/dbraw/zinc/51/06/44/583510644.db2.gz VWVHQZZVFFJBKK-MRVPVSSYSA-N 0 3 285.260 -0.613 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000854466272 583604198 /nfs/dbraw/zinc/60/41/98/583604198.db2.gz ZWIRPKRHEZWDPD-SSDOTTSWSA-N 0 3 283.288 -0.776 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854467335 583604711 /nfs/dbraw/zinc/60/47/11/583604711.db2.gz FFXUPLLWXLPPOK-JQWIXIFHSA-N 0 3 297.311 -0.333 20 5 CBBDHN CN(C)CCONC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000854945349 583629212 /nfs/dbraw/zinc/62/92/12/583629212.db2.gz HOOJBBFJWGCZEU-UHFFFAOYSA-N 0 3 257.250 -0.449 20 5 CBBDHN Cc1nn(C)c(C(=O)NOCCN(C)C)c1[N+](=O)[O-] ZINC000854947379 583629734 /nfs/dbraw/zinc/62/97/34/583629734.db2.gz UBANFDSRRJUXNB-UHFFFAOYSA-N 0 3 271.277 -0.140 20 5 CBBDHN CC(COC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)[N+](=O)[O-] ZINC000860777765 583754811 /nfs/dbraw/zinc/75/48/11/583754811.db2.gz VSPQYCBJKQIOBK-LDDAIVOZSA-N 0 3 285.252 -0.085 20 5 CBBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000874846347 584092726 /nfs/dbraw/zinc/09/27/26/584092726.db2.gz YCOXGBXFKMCFSV-NXEZZACHSA-N 0 3 294.315 -0.119 20 5 CBBDHN NC(=O)CCN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000916577339 657780558 /nfs/dbraw/zinc/78/05/58/657780558.db2.gz RVHVSNNYMORZNU-ZYHUDNBSSA-N 0 3 283.284 -0.546 20 5 CBBDHN CN(CCO)CCN(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000691297427 790674575 /nfs/dbraw/zinc/67/45/75/790674575.db2.gz GMKMWQCFWKLLOE-UHFFFAOYSA-N 0 3 284.316 -0.071 20 5 CBBDHN O=C(NCCN1CC=CC1)c1[nH]ncc1[N+](=O)[O-] ZINC001323177688 803984276 /nfs/dbraw/zinc/98/42/76/803984276.db2.gz QMNCGIYTTABSJX-UHFFFAOYSA-N 0 3 251.246 -0.081 20 5 CBBDHN C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N(C)C ZINC001324267497 804128134 /nfs/dbraw/zinc/12/81/34/804128134.db2.gz RWZRLTMKUZWRLT-SECBINFHSA-N 0 3 282.300 -0.177 20 5 CBBDHN CN(c1ncc([N+](=O)[O-])cc1F)S(=O)(=O)CCN ZINC001156236922 815349136 /nfs/dbraw/zinc/34/91/36/815349136.db2.gz VHHFSGRGTJSXHX-UHFFFAOYSA-N 0 3 278.265 -0.146 20 5 CBBDHN CN(c1cc(N)c([N+](=O)[O-])cn1)S(=O)(=O)CCN ZINC001156236921 815349316 /nfs/dbraw/zinc/34/93/16/815349316.db2.gz VEYQBWQPSTXPSW-UHFFFAOYSA-N 0 3 275.290 -0.703 20 5 CBBDHN Cc1nonc1CNCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157761396 815462938 /nfs/dbraw/zinc/46/29/38/815462938.db2.gz QVSSOKWDIGIZGF-PSASIEDQSA-N 0 3 283.288 -0.361 20 5 CBBDHN O=C(NCCCNCc1ccon1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767711 815463019 /nfs/dbraw/zinc/46/30/19/815463019.db2.gz RWIQILZIEQUOIQ-NXEZZACHSA-N 0 3 268.273 -0.064 20 5 CBBDHN COc1cncc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936636 813697286 /nfs/dbraw/zinc/69/72/86/813697286.db2.gz NLUCKAJRWPYCKO-NXEZZACHSA-N 0 3 295.299 -0.644 20 5 CBBDHN NCc1cn(-c2ccc([N+](=O)[O-])c(C(N)=O)n2)cn1 ZINC001162296684 815812250 /nfs/dbraw/zinc/81/22/50/815812250.db2.gz JHLYTSMYTYRKTL-UHFFFAOYSA-N 0 3 262.229 -0.267 20 5 CBBDHN O=[N+]([O-])c1cc2c(cc1NC[C@@H](O)CO)CNC2 ZINC001163356055 815882698 /nfs/dbraw/zinc/88/26/98/815882698.db2.gz XTOIPEGQMCJORI-SECBINFHSA-N 0 3 253.258 -0.037 20 5 CBBDHN O=C(NC[C@H]1CCCN1CCCO)c1c[nH]nc1[N+](=O)[O-] ZINC001298329300 816677960 /nfs/dbraw/zinc/67/79/60/816677960.db2.gz YPEWODBXFXYDMN-SECBINFHSA-N 0 3 297.315 -0.106 20 5 CBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1nn(C)cc1[N+](=O)[O-] ZINC001307148700 816796504 /nfs/dbraw/zinc/79/65/04/816796504.db2.gz XXPZWAUELMBTKY-VIFPVBQESA-N 0 3 296.331 -0.116 20 5 CBBDHN CN1C(=O)[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@H]2C1=O ZINC001308005052 816816104 /nfs/dbraw/zinc/81/61/04/816816104.db2.gz BHNYSXUOURQNRJ-DTORHVGOSA-N 0 3 293.283 -0.662 20 5 CBBDHN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC001319607630 817225344 /nfs/dbraw/zinc/22/53/44/817225344.db2.gz OBSYNNDBDWQRTL-VIFPVBQESA-N 0 3 296.331 -0.316 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC001320227638 817298687 /nfs/dbraw/zinc/29/86/87/817298687.db2.gz DTHQAEULVMMKBQ-NSHDSACASA-N 0 3 283.288 -0.875 20 5 CBBDHN CS(=O)(=O)N(c1ncc([N+](=O)[O-])cc1N)C1CNC1 ZINC001166970888 820058190 /nfs/dbraw/zinc/05/81/90/820058190.db2.gz YDFWCZMAJDBJAM-UHFFFAOYSA-N 0 3 287.301 -0.690 20 5 CBBDHN CN1CCN(C(=N)Nc2cnc([N+](=O)[O-])cn2)CC1 ZINC001168736136 820169082 /nfs/dbraw/zinc/16/90/82/820169082.db2.gz BMUPJKHJHCIMIT-UHFFFAOYSA-N 0 3 265.277 -0.021 20 5 CBBDHN CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)S(=O)(=O)CCN ZINC001168966473 820197519 /nfs/dbraw/zinc/19/75/19/820197519.db2.gz IKFQJEBBIMUUGC-DTWKUNHWSA-N 0 3 265.335 -0.348 20 5 CBBDHN COC(=O)c1ncc([N+](=O)[O-])cc1-n1nncc1CN ZINC001169312017 820227727 /nfs/dbraw/zinc/22/77/27/820227727.db2.gz XYQKXLGXQQBNAY-UHFFFAOYSA-N 0 3 278.228 -0.184 20 5 CBBDHN Cc1c(=O)[n-]cnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226070848 825270052 /nfs/dbraw/zinc/27/00/52/825270052.db2.gz GPECCOKZDGJXRM-SECBINFHSA-O 0 3 270.309 -0.147 20 5 CBBDHN Cc1nc(N2CCN3C[C@H](O)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001326839441 885170808 /nfs/dbraw/zinc/17/08/08/885170808.db2.gz RLIDNWIFHSLYCI-VHSXEESVSA-N 0 3 279.300 -0.052 20 5 CBBDHN CCOC(=O)[C@@H]1CNCCN1CCn1ccc([N+](=O)[O-])n1 ZINC001328490930 885706641 /nfs/dbraw/zinc/70/66/41/885706641.db2.gz ZTILFUKPFFBGOQ-JTQLQIEISA-N 0 3 297.315 -0.372 20 5 CBBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CCN(C)C2)n1 ZINC001447363201 913063630 /nfs/dbraw/zinc/06/36/30/913063630.db2.gz RLDPXVSKNJEPPK-GFCCVEGCSA-N 0 3 297.315 -0.392 20 5 CBBDHN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001544139075 923298922 /nfs/dbraw/zinc/29/89/22/923298922.db2.gz JHNYCYIFKPTNEV-SCZZXKLOSA-N 0 3 296.331 -0.318 20 5 CBBDHN CN(CCO)CCN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001557695413 924130981 /nfs/dbraw/zinc/13/09/81/924130981.db2.gz SWRUHCPIWBSOAS-UHFFFAOYSA-N 0 3 271.277 -0.686 20 5 CBBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC(N[C@@H]2CCOC2)C1 ZINC001558548911 924181092 /nfs/dbraw/zinc/18/10/92/924181092.db2.gz JTVQXRQNOXMHPR-SSDOTTSWSA-N 0 3 281.272 -0.479 20 5 CBBDHN CN(C)CCN1CCN(c2nn(C)cc2[N+](=O)[O-])CC1=O ZINC001559228149 924213711 /nfs/dbraw/zinc/21/37/11/924213711.db2.gz SXBWPIZREQUVDY-UHFFFAOYSA-N 0 3 296.331 -0.462 20 5 CBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCNCC1 ZINC000043403877 351441715 /nfs/dbraw/zinc/44/17/15/351441715.db2.gz VCDNHGJKOFFDMM-UHFFFAOYSA-N 0 3 253.262 -0.387 20 5 CBBDHN C[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040835088 351420256 /nfs/dbraw/zinc/42/02/56/351420256.db2.gz CGMNCMIMVIVJOF-SECBINFHSA-N 0 3 279.300 -0.014 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCOCC2)c1 ZINC000075675097 351670236 /nfs/dbraw/zinc/67/02/36/351670236.db2.gz UTHXONVXZYEHDT-LLVKDONJSA-N 0 3 270.289 -0.126 20 5 CBBDHN COc1ccc(S(=O)(=O)NC2CNC2)cc1[N+](=O)[O-] ZINC000090289247 351739985 /nfs/dbraw/zinc/73/99/85/351739985.db2.gz ZTOWNZIGPZDVAM-UHFFFAOYSA-N 0 3 287.297 -0.147 20 5 CBBDHN CC(C)(C)N(CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000131147529 351883540 /nfs/dbraw/zinc/88/35/40/351883540.db2.gz FSTVDSIGOJNMFS-SNVBAGLBSA-N 0 3 299.331 -0.262 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2CO)c1 ZINC000159733988 351965350 /nfs/dbraw/zinc/96/53/50/351965350.db2.gz HLLCNTBHELPHFV-ZYHUDNBSSA-N 0 3 284.316 -0.001 20 5 CBBDHN NCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169191196 351996376 /nfs/dbraw/zinc/99/63/76/351996376.db2.gz BQIRGXSQIGVWGV-QMMMGPOBSA-N 0 3 265.273 -0.039 20 5 CBBDHN CN(C)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000170867477 352004315 /nfs/dbraw/zinc/00/43/15/352004315.db2.gz VFTPTCDOAAVMJY-VIFPVBQESA-N 0 3 267.289 -0.046 20 5 CBBDHN COCCNCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237288649 352303082 /nfs/dbraw/zinc/30/30/82/352303082.db2.gz VRCUFXLDAZIXBB-UHFFFAOYSA-N 0 3 298.299 -0.891 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2CO)c1 ZINC000247450789 352346719 /nfs/dbraw/zinc/34/67/19/352346719.db2.gz HLLCNTBHELPHFV-CMPLNLGQSA-N 0 3 284.316 -0.001 20 5 CBBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000279690727 352585259 /nfs/dbraw/zinc/58/52/59/352585259.db2.gz GBSAQVXVZXYOPY-MNOVXSKESA-N 0 3 284.316 -0.145 20 5 CBBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000279690731 352585703 /nfs/dbraw/zinc/58/57/03/352585703.db2.gz GBSAQVXVZXYOPY-WDEREUQCSA-N 0 3 284.316 -0.145 20 5 CBBDHN O=[N+]([O-])c1ccn(CCN2[C@@H](CO)CC[C@@H]2CO)n1 ZINC000286735306 352648862 /nfs/dbraw/zinc/64/88/62/352648862.db2.gz BVFQCQLCIXKUOK-NXEZZACHSA-N 0 3 270.289 -0.391 20 5 CBBDHN CC(C)[C@@](C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000289472249 352664508 /nfs/dbraw/zinc/66/45/08/352664508.db2.gz ZCLQSGFDRKNHDB-CMPLNLGQSA-N 0 3 299.331 -0.358 20 5 CBBDHN COC[C@@H]1CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293516157 352693746 /nfs/dbraw/zinc/69/37/46/352693746.db2.gz IJIWMWSMMXDVDX-GXSJLCMTSA-N 0 3 270.289 -0.127 20 5 CBBDHN O=C(N[C@H](CO)CN1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000293554260 352694745 /nfs/dbraw/zinc/69/47/45/352694745.db2.gz HHVVCOCKTVCSDC-VIFPVBQESA-N 0 3 297.315 -0.106 20 5 CBBDHN CN(CC1CCN(C)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330579980 352851956 /nfs/dbraw/zinc/85/19/56/352851956.db2.gz PMWJLUUBILTFHB-UHFFFAOYSA-N 0 3 296.331 -0.014 20 5 CBBDHN C[C@@H]1C[C@H](O)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000340973315 353195686 /nfs/dbraw/zinc/19/56/86/353195686.db2.gz PKHWYFCBFFOZFG-MIMYLULJSA-N 0 3 270.289 -0.393 20 5 CBBDHN C[C@H]1[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCCN1C ZINC000343565594 353278975 /nfs/dbraw/zinc/27/89/75/353278975.db2.gz RUSZWJHHLGXTAD-IUCAKERBSA-N 0 3 282.304 -0.215 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000358080971 353625457 /nfs/dbraw/zinc/62/54/57/353625457.db2.gz QSKLAPISBDDRLF-LBPRGKRZSA-N 0 3 295.299 -0.632 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000358043415 353620839 /nfs/dbraw/zinc/62/08/39/353620839.db2.gz HOEPZCGMFVLZGN-GFCCVEGCSA-N 0 3 297.315 -0.636 20 5 CBBDHN CN1CC[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1 ZINC000408145356 353858317 /nfs/dbraw/zinc/85/83/17/353858317.db2.gz RSWQYSBIWCNDFB-UWVGGRQHSA-N 0 3 294.315 -0.261 20 5 CBBDHN Nc1c(C(=O)NC[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423986607 354207153 /nfs/dbraw/zinc/20/71/53/354207153.db2.gz GCYKDQWBNLEZNT-MRVPVSSYSA-N 0 3 280.284 -0.105 20 5 CBBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CO)[C@@H]1CCCO1 ZINC000447921119 354309242 /nfs/dbraw/zinc/30/92/42/354309242.db2.gz JLQSDNVIMBPPGB-RYUDHWBXSA-N 0 3 297.311 -0.114 20 5 CBBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)NCCN(C)C ZINC000567178650 354782354 /nfs/dbraw/zinc/78/23/54/354782354.db2.gz MPNYDJZBSRPNBX-ZETCQYMHSA-N 0 3 298.303 -0.886 20 5 CBBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000590044108 355073576 /nfs/dbraw/zinc/07/35/76/355073576.db2.gz GYCRAVMTCBZOMU-ONGXEEELSA-N 0 3 279.300 -0.046 20 5 CBBDHN O=C(N[C@H](CO)CN1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000590371623 355076299 /nfs/dbraw/zinc/07/62/99/355076299.db2.gz PANIQSLVQVPHBE-QMMMGPOBSA-N 0 3 283.288 -0.496 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000588864650 355061881 /nfs/dbraw/zinc/06/18/81/355061881.db2.gz LLGVIMGWAWKJRB-MRVPVSSYSA-N 0 3 282.300 -0.171 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000588866126 355062086 /nfs/dbraw/zinc/06/20/86/355062086.db2.gz BGGWSYIFWDMQKO-ZETCQYMHSA-N 0 3 256.262 -0.425 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000588866125 355062458 /nfs/dbraw/zinc/06/24/58/355062458.db2.gz BGGWSYIFWDMQKO-SSDOTTSWSA-N 0 3 256.262 -0.425 20 5 CBBDHN Cc1nn(C)c(N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000589102035 355064670 /nfs/dbraw/zinc/06/46/70/355064670.db2.gz ULOHUNSMKYBAQY-QMMMGPOBSA-N 0 3 257.294 -0.029 20 5 CBBDHN CN(C)CCN1CCN(c2ncc([N+](=O)[O-])cn2)CC1=O ZINC000593486183 355206776 /nfs/dbraw/zinc/20/67/76/355206776.db2.gz OSKPFPPXRSYNCM-UHFFFAOYSA-N 0 3 294.315 -0.405 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595261177 355275192 /nfs/dbraw/zinc/27/51/92/355275192.db2.gz URPOJUOBZSLDDN-RKDXNWHRSA-N 0 3 285.279 -0.003 20 5 CBBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCN2C1=O ZINC000594873899 355265875 /nfs/dbraw/zinc/26/58/75/355265875.db2.gz QOMRCZFUNIBJMN-SFYZADRCSA-N 0 3 294.267 -0.428 20 5 CBBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCN2C1=O ZINC000594873898 355266216 /nfs/dbraw/zinc/26/62/16/355266216.db2.gz QOMRCZFUNIBJMN-JGVFFNPUSA-N 0 3 294.267 -0.428 20 5 CBBDHN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595107327 355271292 /nfs/dbraw/zinc/27/12/92/355271292.db2.gz JAHPCQYAQMPRJJ-LJGSYFOKSA-N 0 3 272.286 -0.242 20 5 CBBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2C[NH2+]C2)nc1 ZINC000595102628 355271593 /nfs/dbraw/zinc/27/15/93/355271593.db2.gz PALUWNGEGGWMCU-UHFFFAOYSA-N 0 3 258.259 -0.760 20 5 CBBDHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595107230 355271672 /nfs/dbraw/zinc/27/16/72/355271672.db2.gz GNWVJOLQHBGPJE-LURJTMIESA-N 0 3 260.275 -0.385 20 5 CBBDHN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595107323 355271683 /nfs/dbraw/zinc/27/16/83/355271683.db2.gz JAHPCQYAQMPRJJ-KNVOCYPGSA-N 0 3 272.286 -0.242 20 5 CBBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@@H]2CNCCO2)c1 ZINC000594699204 355258479 /nfs/dbraw/zinc/25/84/79/355258479.db2.gz REDMBPPGLVEKIY-VIFPVBQESA-N 0 3 297.267 -0.469 20 5 CBBDHN N[C@H]1C[C@@H]2CN(c3ncc([N+](=O)[O-])s3)CCN2C1=O ZINC000594694786 355258504 /nfs/dbraw/zinc/25/85/04/355258504.db2.gz SZNCBGQSPKCJBP-RQJHMYQMSA-N 0 3 283.313 -0.201 20 5 CBBDHN COC(=O)[C@@H]1OCC[C@@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000595664756 355299952 /nfs/dbraw/zinc/29/99/52/355299952.db2.gz UDJIXJQSNQVTGD-VHSXEESVSA-N 0 3 284.272 -0.289 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000597654137 355403448 /nfs/dbraw/zinc/40/34/48/355403448.db2.gz OVJXADGDMFGAII-MRVPVSSYSA-N 0 3 270.289 -0.414 20 5 CBBDHN Cc1n[n-]c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600536668 355556925 /nfs/dbraw/zinc/55/69/25/355556925.db2.gz VALVALKRCBRICH-MRVPVSSYSA-N 0 3 283.288 -0.577 20 5 CBBDHN Cc1n[n-]c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600536668 355556930 /nfs/dbraw/zinc/55/69/30/355556930.db2.gz VALVALKRCBRICH-MRVPVSSYSA-N 0 3 283.288 -0.577 20 5 CBBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599940244 355519632 /nfs/dbraw/zinc/51/96/32/355519632.db2.gz NDZACYUSOMZZIC-DTWKUNHWSA-N 0 3 295.299 -0.401 20 5 CBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCN(CC2CC2)C1 ZINC000609383433 355768537 /nfs/dbraw/zinc/76/85/37/355768537.db2.gz NUZZCWVONIEGAL-JTQLQIEISA-N 0 3 294.315 -0.213 20 5 CBBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000294780151 199179235 /nfs/dbraw/zinc/17/92/35/199179235.db2.gz YZUVVTPGFMXRGO-PSASIEDQSA-N 0 3 297.315 -0.155 20 5 CBBDHN CN(C)[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330675915 203105933 /nfs/dbraw/zinc/10/59/33/203105933.db2.gz STGDUNHMBBDHRL-SECBINFHSA-N 0 3 282.304 -0.261 20 5 CBBDHN CN(C)C[C@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330923216 203392825 /nfs/dbraw/zinc/39/28/25/203392825.db2.gz CNLOORSKKUUHLG-SECBINFHSA-N 0 3 282.304 -0.261 20 5 CBBDHN O=C(NCC1CCN(CCO)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000344404660 217182712 /nfs/dbraw/zinc/18/27/12/217182712.db2.gz ZJUJHIIAEHXNCM-UHFFFAOYSA-N 0 3 297.315 -0.248 20 5 CBBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285948928 372949419 /nfs/dbraw/zinc/94/94/19/372949419.db2.gz CGDXQPCDTGKZAN-UHFFFAOYSA-N 0 3 271.277 -0.638 20 5 CBBDHN CO[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361371678 373285637 /nfs/dbraw/zinc/28/56/37/373285637.db2.gz IKCQFSKWNDMRBJ-WDEREUQCSA-N 0 3 270.289 -0.127 20 5 CBBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1[nH]ncc1[N+](=O)[O-] ZINC000362397046 373402750 /nfs/dbraw/zinc/40/27/50/373402750.db2.gz QMNPXVZYWKVKIO-RKDXNWHRSA-N 0 3 295.299 -0.089 20 5 CBBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000362397046 373402761 /nfs/dbraw/zinc/40/27/61/373402761.db2.gz QMNPXVZYWKVKIO-RKDXNWHRSA-N 0 3 295.299 -0.089 20 5 CBBDHN CCN1CCN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000514749383 373763654 /nfs/dbraw/zinc/76/36/54/373763654.db2.gz WQSPASFCHHURSE-UHFFFAOYSA-N 0 3 296.331 -0.315 20 5 CBBDHN O=C(CCNC[C@@H](O)CO)Nc1ccccc1[N+](=O)[O-] ZINC000572556990 374337181 /nfs/dbraw/zinc/33/71/81/374337181.db2.gz DCBRSFUGXMQFQN-SECBINFHSA-N 0 3 283.284 -0.134 20 5 CBBDHN CN(C)[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000264018330 190089233 /nfs/dbraw/zinc/08/92/33/190089233.db2.gz NWTRYBSHKHHRJF-SECBINFHSA-N 0 3 267.289 -0.046 20 5 CBBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356413960 248244109 /nfs/dbraw/zinc/24/41/09/248244109.db2.gz BKHWHBVILHDMTR-NXEZZACHSA-N 0 3 296.331 -0.015 20 5 CBBDHN CCN(C)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000264947884 190147009 /nfs/dbraw/zinc/14/70/09/190147009.db2.gz XNCJHVSWZNUOSE-UHFFFAOYSA-N 0 3 255.278 -0.141 20 5 CBBDHN CN1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000265293845 190172963 /nfs/dbraw/zinc/17/29/63/190172963.db2.gz OPKVIWISEHHHFE-UHFFFAOYSA-N 0 3 294.311 -0.079 20 5 CBBDHN CCN(CCO)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000347791909 218357611 /nfs/dbraw/zinc/35/76/11/218357611.db2.gz JTXDVIILQUVDHS-UHFFFAOYSA-N 0 3 285.304 -0.778 20 5 CBBDHN C[C@H]1CCNC(=O)[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000193582957 419547797 /nfs/dbraw/zinc/54/77/97/419547797.db2.gz CLNPGVMBYWRBEK-WCBMZHEXSA-N 0 3 267.289 -0.095 20 5 CBBDHN CCN(C)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000194689772 419555308 /nfs/dbraw/zinc/55/53/08/419555308.db2.gz JHCXKIFAOGNQKO-UHFFFAOYSA-N 0 3 255.278 -0.141 20 5 CBBDHN CC(C)[C@](C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000289472255 419609447 /nfs/dbraw/zinc/60/94/47/419609447.db2.gz ZCLQSGFDRKNHDB-PWSUYJOCSA-N 0 3 299.331 -0.358 20 5 CBBDHN CN(C)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000339682421 419703353 /nfs/dbraw/zinc/70/33/53/419703353.db2.gz IKQIZGPCYRDRJR-SECBINFHSA-N 0 3 296.331 0.124 20 5 CBBDHN Nc1nc(NC[C@H]2CN3CCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000363571470 420028752 /nfs/dbraw/zinc/02/87/52/420028752.db2.gz NXJCXCVIQKJLHY-BDAKNGLRSA-N 0 3 294.315 -0.336 20 5 CBBDHN Nc1nc(NC[C@H]2CN3CCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000363571472 420029937 /nfs/dbraw/zinc/02/99/37/420029937.db2.gz NXJCXCVIQKJLHY-IUCAKERBSA-N 0 3 294.315 -0.336 20 5 CBBDHN C[C@@H]1CCNC(=O)[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000193661117 287618765 /nfs/dbraw/zinc/61/87/65/287618765.db2.gz FISIAIIDJGUWSL-SKDRFNHKSA-N 0 3 294.311 -0.129 20 5 CBBDHN Nc1nc(NC[C@@H]2CCCN2CCCO)ncc1[N+](=O)[O-] ZINC000450600280 420299032 /nfs/dbraw/zinc/29/90/32/420299032.db2.gz VGTOFNJDQSSTFA-VIFPVBQESA-N 0 3 296.331 -0.352 20 5 CBBDHN [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[n-]3)CCN2C1=O ZINC000519613840 420384655 /nfs/dbraw/zinc/38/46/55/420384655.db2.gz LJSRUQLAUWBCJW-HTQZYQBOSA-N 0 3 293.283 -0.693 20 5 CBBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCN2C1=O ZINC000519613840 420384659 /nfs/dbraw/zinc/38/46/59/420384659.db2.gz LJSRUQLAUWBCJW-HTQZYQBOSA-N 0 3 293.283 -0.693 20 5 CBBDHN O=C1NC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@H]12 ZINC000377683065 230296110 /nfs/dbraw/zinc/29/61/10/230296110.db2.gz ZBURGBPWQXCGFE-ZJUUUORDSA-N 0 3 279.300 -0.141 20 5 CBBDHN COCCN(C)CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000590434144 420478421 /nfs/dbraw/zinc/47/84/21/420478421.db2.gz YAXCZYMJPLMYEZ-UHFFFAOYSA-N 0 3 297.315 -0.120 20 5 CBBDHN NC1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000521039668 260027338 /nfs/dbraw/zinc/02/73/38/260027338.db2.gz JWFDQWLMTRCNAJ-UHFFFAOYSA-N 0 3 253.262 -0.211 20 5 CBBDHN Cc1ccc(NC(=O)C(=O)NC2CNC2)cc1[N+](=O)[O-] ZINC000517223665 260106547 /nfs/dbraw/zinc/10/65/47/260106547.db2.gz AAIOMWNTROQOOZ-UHFFFAOYSA-N 0 3 278.268 -0.070 20 5 CBBDHN CN1CCC[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000519596165 265486648 /nfs/dbraw/zinc/48/66/48/265486648.db2.gz KIBXWNZSBZUUKB-WDEREUQCSA-N 0 3 297.315 -0.637 20 5 CBBDHN N[C@@H]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000569139739 327038377 /nfs/dbraw/zinc/03/83/77/327038377.db2.gz SSYXZIPCOVKQMS-PSASIEDQSA-N 0 3 295.274 -0.123 20 5 CBBDHN CO[C@@H]1COC[C@@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570155592 327572312 /nfs/dbraw/zinc/57/23/12/327572312.db2.gz NUJXGPKCNNQGCL-OUAUKWLOSA-N 0 3 286.288 -0.844 20 5 CBBDHN CCN1C[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000391568004 328978780 /nfs/dbraw/zinc/97/87/80/328978780.db2.gz BYGOBVWWGMJEMN-ONGXEEELSA-N 0 3 297.315 -0.637 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1O ZINC000576361906 335194851 /nfs/dbraw/zinc/19/48/51/335194851.db2.gz YOIODKQRVJMVKZ-UWVGGRQHSA-N 0 3 295.299 -0.681 20 5 CBBDHN O=C(CNC[C@H]1CCCO1)NCCn1cc([N+](=O)[O-])cn1 ZINC000576936654 335266138 /nfs/dbraw/zinc/26/61/38/335266138.db2.gz DDFDNZBCZVTUBK-LLVKDONJSA-N 0 3 297.315 -0.324 20 5 CBBDHN C[NH2+]CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000576989946 335274722 /nfs/dbraw/zinc/27/47/22/335274722.db2.gz LRMTVZQRWPJQCL-UHFFFAOYSA-N 0 3 260.275 -0.513 20 5 CBBDHN COCCN(C)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000385886665 336159481 /nfs/dbraw/zinc/15/94/81/336159481.db2.gz CQAROWDRSNTAAA-SECBINFHSA-N 0 3 258.278 -0.270 20 5 CBBDHN CC(COC(=O)[C@@H]1CCN(C)S1(=O)=O)[N+](=O)[O-] ZINC000842802316 583194437 /nfs/dbraw/zinc/19/44/37/583194437.db2.gz UWCAAJUCSQOPSC-RQJHMYQMSA-N 0 3 266.275 -0.771 20 5 CBBDHN C[C@@](O)(CO)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134758047 582125188 /nfs/dbraw/zinc/12/51/88/582125188.db2.gz JPBODPDVMUNRBI-RYUDHWBXSA-N 0 3 270.285 -0.039 20 5 CBBDHN NC(=O)C1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000746472902 582284811 /nfs/dbraw/zinc/28/48/11/582284811.db2.gz REGTZGHGEUBILT-JTQLQIEISA-N 0 3 297.315 -0.460 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000787269344 582381024 /nfs/dbraw/zinc/38/10/24/582381024.db2.gz DDKPINPMXOSMAC-ZDUSSCGKSA-N 0 3 294.311 -0.027 20 5 CBBDHN CC(COC(=O)Cc1nc2ncccn2n1)[N+](=O)[O-] ZINC000813108716 582453846 /nfs/dbraw/zinc/45/38/46/582453846.db2.gz KZENEOVZRYNUKA-ZETCQYMHSA-N 0 3 265.229 -0.125 20 5 CBBDHN CC(COC(=O)C(C)(C)NS(C)(=O)=O)[N+](=O)[O-] ZINC000813110759 582453931 /nfs/dbraw/zinc/45/39/31/582453931.db2.gz ITNFTKVCVFSDLY-ZCFIWIBFSA-N 0 3 268.291 -0.477 20 5 CBBDHN CC(COC(=O)[C@@H]1CCCN1S(C)(=O)=O)[N+](=O)[O-] ZINC000813113119 582453997 /nfs/dbraw/zinc/45/39/97/582453997.db2.gz XLOPPQKUSCSYGO-SFYZADRCSA-N 0 3 280.302 -0.381 20 5 CBBDHN O=[N+]([O-])c1cnn(CCc2nc(N3CCNCC3)no2)c1 ZINC000823335092 582666904 /nfs/dbraw/zinc/66/69/04/582666904.db2.gz QRBFYJKNHILQTP-UHFFFAOYSA-N 0 3 293.287 -0.173 20 5 CBBDHN O=C(OCCCN1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670245 583166301 /nfs/dbraw/zinc/16/63/01/583166301.db2.gz DRAXYNCEDWMROM-NXEZZACHSA-N 0 3 258.274 -0.083 20 5 CBBDHN C[C@@H](O)[C@@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843062552 583199157 /nfs/dbraw/zinc/19/91/57/583199157.db2.gz PSICPGRAZMAHIK-GGZOMVNGSA-N 0 3 270.285 -0.041 20 5 CBBDHN COC(=O)[C@@H](O)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843089055 583201207 /nfs/dbraw/zinc/20/12/07/583201207.db2.gz QOKPGNXMWDEXKA-MNOVXSKESA-N 0 3 284.268 -0.248 20 5 CBBDHN CNC(=O)[C@H](O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843109837 583201951 /nfs/dbraw/zinc/20/19/51/583201951.db2.gz HFVUUXZECYCNJO-GHMZBOCLSA-N 0 3 283.284 -0.675 20 5 CBBDHN CC(COC(=O)c1ccn2nnnc2c1)[N+](=O)[O-] ZINC000851036373 583510677 /nfs/dbraw/zinc/51/06/77/583510677.db2.gz INPMQISVQKZZOB-ZCFIWIBFSA-N 0 3 251.202 -0.054 20 5 CBBDHN Nc1ccc(C(=O)N2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000853244154 583580689 /nfs/dbraw/zinc/58/06/89/583580689.db2.gz FMUZTBZOIQLHAN-UHFFFAOYSA-N 0 3 292.295 -0.009 20 5 CBBDHN CC(COC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[N+](=O)[O-] ZINC000860777714 583754856 /nfs/dbraw/zinc/75/48/56/583754856.db2.gz UDAFNYVAHUUWDY-BDAKNGLRSA-N 0 3 296.283 -0.019 20 5 CBBDHN CN(CCO)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000899738569 584778722 /nfs/dbraw/zinc/77/87/22/584778722.db2.gz HBLGTCMRFKWWSE-UHFFFAOYSA-N 0 3 261.322 -0.138 20 5 CBBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000923298108 658199939 /nfs/dbraw/zinc/19/99/39/658199939.db2.gz LYCMNDVLACXNCX-VHSXEESVSA-N 0 3 294.315 -0.119 20 5 CBBDHN Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n[nH]1 ZINC000991280342 659829929 /nfs/dbraw/zinc/82/99/29/659829929.db2.gz PNIFAEBIZSUFLI-PSASIEDQSA-N 0 3 293.283 -0.676 20 5 CBBDHN Cn1ncnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063670 790986540 /nfs/dbraw/zinc/98/65/40/790986540.db2.gz GGEPSVBMMQYKOR-UTINFBMNSA-N 0 3 294.315 -0.783 20 5 CBBDHN Cc1noc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157761699 815463109 /nfs/dbraw/zinc/46/31/09/815463109.db2.gz YIQHZAAKKCSVFO-RKDXNWHRSA-N 0 3 283.288 -0.361 20 5 CBBDHN Cc1nnc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001157767446 815463215 /nfs/dbraw/zinc/46/32/15/815463215.db2.gz NCABEIOJRXPTHY-RKDXNWHRSA-N 0 3 283.288 -0.361 20 5 CBBDHN NC(=O)NCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123234760 813224109 /nfs/dbraw/zinc/22/41/09/813224109.db2.gz AIDGMAHETFXTSL-UHFFFAOYSA-N 0 3 295.299 -0.531 20 5 CBBDHN Cc1ncc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001126936439 813697228 /nfs/dbraw/zinc/69/72/28/813697228.db2.gz HXGYJVQNZWNJSA-NXEZZACHSA-N 0 3 268.273 -0.146 20 5 CBBDHN NCc1ccnn1-c1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001162586495 815835983 /nfs/dbraw/zinc/83/59/83/815835983.db2.gz WSGBWGMWDKGURE-UHFFFAOYSA-N 0 3 262.229 -0.267 20 5 CBBDHN COc1ccnc([N-][C@@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001163240813 815871587 /nfs/dbraw/zinc/87/15/87/815871587.db2.gz WOOJFRJLCVPAIR-UFBFGSQYSA-N 0 3 293.283 -0.012 20 5 CBBDHN Cc1nn(C)cc1CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317447613 816981449 /nfs/dbraw/zinc/98/14/49/816981449.db2.gz AIZHVMUTSMRYEV-VXGBXAGGSA-N 0 3 295.343 -0.058 20 5 CBBDHN CN1CCN(C)[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001319613024 817225579 /nfs/dbraw/zinc/22/55/79/817225579.db2.gz ZYUJOXXMBDBSEQ-QMMMGPOBSA-N 0 3 282.304 -0.707 20 5 CBBDHN CC(C)(O)C1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001320493426 817345776 /nfs/dbraw/zinc/34/57/76/817345776.db2.gz BMXXZUBJIPMPHS-NSHDSACASA-N 0 3 284.316 -0.145 20 5 CBBDHN Cn1cc([N+](=O)[O-])c(N2CC(N[C@@H]3CCOC3)C2)n1 ZINC001164233839 819893983 /nfs/dbraw/zinc/89/39/83/819893983.db2.gz CGIGGBLETOVEFI-MRVPVSSYSA-N 0 3 267.289 -0.105 20 5 CBBDHN CN(c1ncnc(Cl)c1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164287305 819899083 /nfs/dbraw/zinc/89/90/83/819899083.db2.gz FJVGEQYHNNCSSW-UHFFFAOYSA-N 0 3 295.708 -0.237 20 5 CBBDHN CN(c1cc([N+](=O)[O-])c2nccn2c1)S(=O)(=O)CCN ZINC001164296184 819904241 /nfs/dbraw/zinc/90/42/41/819904241.db2.gz BFRHVUJSEHMEHT-UHFFFAOYSA-N 0 3 299.312 -0.033 20 5 CBBDHN CS(=O)(=O)N(c1cc([N+](=O)[O-])ccn1)C1CNC1 ZINC001166967580 820054692 /nfs/dbraw/zinc/05/46/92/820054692.db2.gz PYRRDNCILOEDML-UHFFFAOYSA-N 0 3 272.286 -0.272 20 5 CBBDHN CS(=O)(=O)N(c1cccc([N+](=O)[O-])n1)C1CNC1 ZINC001166966511 820055870 /nfs/dbraw/zinc/05/58/70/820055870.db2.gz GAECFRAYDKJDAS-UHFFFAOYSA-N 0 3 272.286 -0.272 20 5 CBBDHN CN(CCO)CCN(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001168350939 820158708 /nfs/dbraw/zinc/15/87/08/820158708.db2.gz YJBJMDKWANWKBV-UHFFFAOYSA-N 0 3 271.277 -0.686 20 5 CBBDHN NCc1cnnn1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001169308503 820225800 /nfs/dbraw/zinc/22/58/00/820225800.db2.gz OLLPMFMHZHUAMG-UHFFFAOYSA-N 0 3 254.181 -0.593 20 5 CBBDHN COc1ncc([N+](=O)[O-])c(-n2nncc2CN)n1 ZINC001169308457 820226049 /nfs/dbraw/zinc/22/60/49/820226049.db2.gz NIJLHYIYGSQXCM-UHFFFAOYSA-N 0 3 251.206 -0.567 20 5 CBBDHN C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170567522 820307655 /nfs/dbraw/zinc/30/76/55/820307655.db2.gz DVVGLSVRCQWLSX-APPZFPTMSA-N 0 3 295.299 -0.123 20 5 CBBDHN Cc1cc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]n1 ZINC001284521820 828608427 /nfs/dbraw/zinc/60/84/27/828608427.db2.gz MGIMBFDYBRATAY-PSASIEDQSA-N 0 3 295.299 -0.428 20 5 CBBDHN Cc1cc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n[nH]1 ZINC001284521820 828608430 /nfs/dbraw/zinc/60/84/30/828608430.db2.gz MGIMBFDYBRATAY-PSASIEDQSA-N 0 3 295.299 -0.428 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN2C[C@H](CO)[C@H](CO)C2)c1 ZINC001197154035 824179088 /nfs/dbraw/zinc/17/90/88/824179088.db2.gz DMZNQHQHBGYGEY-AOOOYVTPSA-N 0 3 270.289 -0.676 20 5 CBBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc([O-])ccc1C(N)=O ZINC001228163041 825313720 /nfs/dbraw/zinc/31/37/20/825313720.db2.gz NZUKLIIIQKOXIT-SNVBAGLBSA-O 0 3 297.331 -0.146 20 5 CBBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC(CO)(CO)CO ZINC001254538186 825965120 /nfs/dbraw/zinc/96/51/20/825965120.db2.gz QWSBHFIGDJBJGZ-SNVBAGLBSA-N 0 3 284.312 -0.169 20 5 CBBDHN Cn1ccc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001274017481 827952351 /nfs/dbraw/zinc/95/23/51/827952351.db2.gz SQCFLWNYNDQQKP-JDEDCZITSA-N 0 3 293.327 -0.153 20 5 CBBDHN Cn1ccc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001274017482 827953809 /nfs/dbraw/zinc/95/38/09/827953809.db2.gz SQCFLWNYNDQQKP-JGLYPNHGSA-N 0 3 293.327 -0.153 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CNCCO1 ZINC001326141228 884918652 /nfs/dbraw/zinc/91/86/52/884918652.db2.gz HLHGWVHTKNUZOY-VIFPVBQESA-N 0 3 283.288 -0.796 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CNCCO1 ZINC001326141227 884921030 /nfs/dbraw/zinc/92/10/30/884921030.db2.gz HLHGWVHTKNUZOY-SECBINFHSA-N 0 3 283.288 -0.796 20 5 CBBDHN Cc1nn(C)c(C(=O)NC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001326450090 885029605 /nfs/dbraw/zinc/02/96/05/885029605.db2.gz DETXZKFXGDPHJI-MRVPVSSYSA-N 0 3 283.288 -0.645 20 5 CBBDHN NC(=O)c1ccnc(N2CCN3CC[C@H]2C3)c1[N+](=O)[O-] ZINC001328719589 885789751 /nfs/dbraw/zinc/78/97/51/885789751.db2.gz WVQZFTFUESURRC-QMMMGPOBSA-N 0 3 277.284 -0.017 20 5 CBBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1c[nH]nc1[N+](=O)[O-] ZINC001340015691 889366703 /nfs/dbraw/zinc/36/67/03/889366703.db2.gz FBYNRPMZSNOYTI-RKDXNWHRSA-N 0 3 295.299 -0.089 20 5 CBBDHN CCN(CCO)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001348510388 890637449 /nfs/dbraw/zinc/63/74/49/890637449.db2.gz HNRNNMGSADZUPM-UHFFFAOYSA-N 0 3 271.277 -0.638 20 5 CBBDHN O=C(NC[C@H]1CNCCO1)c1[nH]ncc1[N+](=O)[O-] ZINC001349271291 890786116 /nfs/dbraw/zinc/78/61/16/890786116.db2.gz JRJJZNDNCVQLCV-ZCFIWIBFSA-N 0 3 255.234 -0.964 20 5 CBBDHN NC(=O)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C(N)=O ZINC001473643588 915840907 /nfs/dbraw/zinc/84/09/07/915840907.db2.gz TVTQUAHWNJFQPM-UWVGGRQHSA-N 0 3 292.295 -0.387 20 5 CBBDHN CN(C)C(=O)CN(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001479770036 916170180 /nfs/dbraw/zinc/17/01/80/916170180.db2.gz HZCKZDKVIAMTQO-NXEZZACHSA-N 0 3 286.332 -0.822 20 5 CBBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001521976750 922393200 /nfs/dbraw/zinc/39/32/00/922393200.db2.gz WXNDRVIZEAWSKR-MRVPVSSYSA-N 0 3 280.284 -0.206 20 5 CBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC(N[C@H]2CCOC2)C1 ZINC001558548367 924181710 /nfs/dbraw/zinc/18/17/10/924181710.db2.gz AZHONVQYCMAFPS-VIFPVBQESA-N 0 3 295.299 -0.619 20 5 CBBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000351825062 219218511 /nfs/dbraw/zinc/21/85/11/219218511.db2.gz GEPLPEUTNHKZGH-FBIMIBRVSA-N 0 3 270.289 -0.535 20 5 CBBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N(C)C ZINC000046271861 351454834 /nfs/dbraw/zinc/45/48/34/351454834.db2.gz FJCWXKNYBXIPBW-MRVPVSSYSA-N 0 3 255.278 -0.142 20 5 CBBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N(C)C ZINC000046271859 351455018 /nfs/dbraw/zinc/45/50/18/351455018.db2.gz FJCWXKNYBXIPBW-QMMMGPOBSA-N 0 3 255.278 -0.142 20 5 CBBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H](O)CO)cc1 ZINC000095082615 351767629 /nfs/dbraw/zinc/76/76/29/351767629.db2.gz DOASXPUDFCLNMD-WDEREUQCSA-N 0 3 256.258 -0.429 20 5 CBBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](CN)C1 ZINC000122611053 351852153 /nfs/dbraw/zinc/85/21/53/351852153.db2.gz OWSUKRLTPXJKFH-VIFPVBQESA-N 0 3 267.289 -0.362 20 5 CBBDHN Cn1c(C(=O)NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000134255612 351904575 /nfs/dbraw/zinc/90/45/75/351904575.db2.gz XTAFYVFQGYBXSR-QMMMGPOBSA-N 0 3 268.273 -0.349 20 5 CBBDHN O=[N+]([O-])c1c(N2CCNCC2)ncnc1N1CCOCC1 ZINC000165833335 351987000 /nfs/dbraw/zinc/98/70/00/351987000.db2.gz RGBVHQLBRDSZRM-UHFFFAOYSA-N 0 3 294.315 -0.369 20 5 CBBDHN CN(C)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000170867475 352004687 /nfs/dbraw/zinc/00/46/87/352004687.db2.gz VFTPTCDOAAVMJY-SECBINFHSA-N 0 3 267.289 -0.046 20 5 CBBDHN CC1(O)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000177333264 352072556 /nfs/dbraw/zinc/07/25/56/352072556.db2.gz RNDHWNXGSZMSRR-NSHDSACASA-N 0 3 284.316 -0.001 20 5 CBBDHN CC(C)(C)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000173343319 352036587 /nfs/dbraw/zinc/03/65/87/352036587.db2.gz KQGGEECLPNTXGR-ZJUUUORDSA-N 0 3 299.331 -0.358 20 5 CBBDHN CCCCN(CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173537844 352038476 /nfs/dbraw/zinc/03/84/76/352038476.db2.gz XVTQNVMAPZYHRG-LLVKDONJSA-N 0 3 299.331 -0.260 20 5 CBBDHN O=C(CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000228812144 352265253 /nfs/dbraw/zinc/26/52/53/352265253.db2.gz NKZRDQODZJRENL-LLVKDONJSA-N 0 3 297.315 -0.636 20 5 CBBDHN CN(C)C[C@](C)(O)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000228755693 352265326 /nfs/dbraw/zinc/26/53/26/352265326.db2.gz FYLYVYJHJJQSJA-LLVKDONJSA-N 0 3 285.304 -0.780 20 5 CBBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000237615788 352308011 /nfs/dbraw/zinc/30/80/11/352308011.db2.gz HJLYDTPTBZYAMO-JGVFFNPUSA-N 0 3 268.277 -0.605 20 5 CBBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1O ZINC000249602978 352369541 /nfs/dbraw/zinc/36/95/41/352369541.db2.gz YWLVQTFFFGLTPC-ADEWGFFLSA-N 0 3 284.316 -0.145 20 5 CBBDHN CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000271011001 352506666 /nfs/dbraw/zinc/50/66/66/352506666.db2.gz ZTRCZUQHSIEYRD-JLLWLGSASA-N 0 3 284.316 -0.145 20 5 CBBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N(C)C ZINC000299522271 352725094 /nfs/dbraw/zinc/72/50/94/352725094.db2.gz PLGMEXSZLFHOCA-SECBINFHSA-N 0 3 282.300 -0.177 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](O)C2)c1 ZINC000304289835 352746199 /nfs/dbraw/zinc/74/61/99/352746199.db2.gz BYJJXERTCMSEHA-UWVGGRQHSA-N 0 3 256.262 -0.781 20 5 CBBDHN CN1CC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000330519484 352838649 /nfs/dbraw/zinc/83/86/49/352838649.db2.gz PISRZJGOVZNMPD-ZETCQYMHSA-N 0 3 253.262 -0.001 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000358038635 353620083 /nfs/dbraw/zinc/62/00/83/353620083.db2.gz BMJZJJNSRBVGFI-CYBMUJFWSA-N 0 3 294.311 -0.027 20 5 CBBDHN COCCNCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415386418 353964115 /nfs/dbraw/zinc/96/41/15/353964115.db2.gz PEASCYQISKQCFN-UHFFFAOYSA-N 0 3 283.288 -0.231 20 5 CBBDHN CN1C[C@@H]2CCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000425058420 354235725 /nfs/dbraw/zinc/23/57/25/354235725.db2.gz PAQMZKKHZSSUAR-VHSXEESVSA-N 0 3 294.315 -0.261 20 5 CBBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CO)[C@@H]1CCCO1 ZINC000447921117 354309014 /nfs/dbraw/zinc/30/90/14/354309014.db2.gz JLQSDNVIMBPPGB-NEPJUHHUSA-N 0 3 297.311 -0.114 20 5 CBBDHN O=C(CCN1C[C@H](O)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000444695355 354276553 /nfs/dbraw/zinc/27/65/53/354276553.db2.gz MFPUQLIGRFGQCH-RYUDHWBXSA-N 0 3 295.295 -0.039 20 5 CBBDHN O=C(NC[C@H]1CCCN1CCCO)c1cc([N+](=O)[O-])n[nH]1 ZINC000452349301 354349773 /nfs/dbraw/zinc/34/97/73/354349773.db2.gz BLVGFSPULJCFTI-SECBINFHSA-N 0 3 297.315 -0.106 20 5 CBBDHN CC[C@]1(O)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495194067 354499745 /nfs/dbraw/zinc/49/97/45/354499745.db2.gz NNGSRXUOCYYIJJ-NEPJUHHUSA-N 0 3 284.316 -0.001 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000547294433 354657702 /nfs/dbraw/zinc/65/77/02/354657702.db2.gz ORPZCAQVPXIFJZ-LBPRGKRZSA-N 0 3 282.300 -0.270 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000547274063 354657774 /nfs/dbraw/zinc/65/77/74/354657774.db2.gz WEUBGZBKPJVPMZ-GFCCVEGCSA-N 0 3 280.284 -0.214 20 5 CBBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1COC[C@H]1O ZINC000563137186 354697926 /nfs/dbraw/zinc/69/79/26/354697926.db2.gz ASSBVRXVFYNERZ-CKYFFXLPSA-N 0 3 298.295 -0.316 20 5 CBBDHN COCCN(CCN(C)C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547763499 354667615 /nfs/dbraw/zinc/66/76/15/354667615.db2.gz RDVJDDKYQBGMTB-UHFFFAOYSA-N 0 3 285.304 -0.032 20 5 CBBDHN Cc1c(CNC(=O)C(=O)NC2CNC2)cccc1[N+](=O)[O-] ZINC000570551368 354863821 /nfs/dbraw/zinc/86/38/21/354863821.db2.gz VDAFVTZZYWMYQR-UHFFFAOYSA-N 0 3 292.295 -0.393 20 5 CBBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2OCCN[C@@H]2C1 ZINC000572167426 354887976 /nfs/dbraw/zinc/88/79/76/354887976.db2.gz FKQVVJJNULWEMU-KOLCDFICSA-N 0 3 281.316 -0.109 20 5 CBBDHN CN1CC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000584816755 355039046 /nfs/dbraw/zinc/03/90/46/355039046.db2.gz YJLRVODXDOGKTB-ZETCQYMHSA-N 0 3 253.262 -0.001 20 5 CBBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CNC1 ZINC000582288857 355012695 /nfs/dbraw/zinc/01/26/95/355012695.db2.gz FKLDTTMDVCPYKE-UHFFFAOYSA-N 0 3 278.268 -0.070 20 5 CBBDHN CN1C[C@@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590444953 355081093 /nfs/dbraw/zinc/08/10/93/355081093.db2.gz OJFQGWXGKHSYFP-VHSXEESVSA-N 0 3 279.300 -0.046 20 5 CBBDHN Cc1n[nH]c(C(=O)N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000588865186 355062205 /nfs/dbraw/zinc/06/22/05/355062205.db2.gz YJOMTDDQRPNXAM-SSDOTTSWSA-N 0 3 271.277 -0.721 20 5 CBBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H](O)CO ZINC000592430495 355152780 /nfs/dbraw/zinc/15/27/80/355152780.db2.gz UVOYBECDTVDNPI-UWVGGRQHSA-N 0 3 286.284 -0.723 20 5 CBBDHN NC[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000594451929 355248739 /nfs/dbraw/zinc/24/87/39/355248739.db2.gz TYMVPMZLHATBRY-LURJTMIESA-N 0 3 281.194 -0.203 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1O ZINC000594358980 355243505 /nfs/dbraw/zinc/24/35/05/355243505.db2.gz BLQAOJFLHXNXFL-IUCAKERBSA-N 0 3 283.288 -0.925 20 5 CBBDHN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595108874 355271639 /nfs/dbraw/zinc/27/16/39/355271639.db2.gz VKGLLHMEPGZLHM-ZETCQYMHSA-N 0 3 274.302 -0.137 20 5 CBBDHN Nc1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nc1[N+](=O)[O-] ZINC000596013650 355338722 /nfs/dbraw/zinc/33/87/22/355338722.db2.gz ITVYQHDBMIGKBY-CBAPKCEASA-N 0 3 292.299 -0.680 20 5 CBBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCOC2(CNC2)C1 ZINC000596580182 355359172 /nfs/dbraw/zinc/35/91/72/355359172.db2.gz LUHNLVDQPOICML-UHFFFAOYSA-N 0 3 266.257 -0.263 20 5 CBBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000597574824 355397173 /nfs/dbraw/zinc/39/71/73/355397173.db2.gz SAOMBUQKPJISNI-GFCCVEGCSA-N 0 3 297.315 -0.153 20 5 CBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CC[C@H](O)C1 ZINC000600805877 355567016 /nfs/dbraw/zinc/56/70/16/355567016.db2.gz AXPKQVFGTRVKNM-NSHDSACASA-N 0 3 297.315 -0.636 20 5 CBBDHN NC(=O)[C@@]1(O)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000276491908 193354160 /nfs/dbraw/zinc/35/41/60/193354160.db2.gz VOSVQCCVZOSAEG-CYBMUJFWSA-N 0 3 295.295 -0.104 20 5 CBBDHN CN(C)C(=O)C(C)(C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000532716170 374174238 /nfs/dbraw/zinc/17/42/38/374174238.db2.gz FDCRFBJVWLAVAK-SNVBAGLBSA-N 0 3 299.331 -0.391 20 5 CBBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCN(C)C ZINC000550604085 374234233 /nfs/dbraw/zinc/23/42/33/374234233.db2.gz FPJJQEBMAQYLHO-MRVPVSSYSA-N 0 3 298.299 -0.016 20 5 CBBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356413965 248247070 /nfs/dbraw/zinc/24/70/70/248247070.db2.gz BKHWHBVILHDMTR-ZJUUUORDSA-N 0 3 296.331 -0.015 20 5 CBBDHN CC[C@](C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000133428631 207376314 /nfs/dbraw/zinc/37/63/14/207376314.db2.gz SYSNYXRTHUZPPT-ONGXEEELSA-N 0 3 285.304 -0.604 20 5 CBBDHN COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[n-]2)C1 ZINC000285557607 196325590 /nfs/dbraw/zinc/32/55/90/196325590.db2.gz VBYOUGKCJRHGPZ-MRVPVSSYSA-N 0 3 283.288 -0.232 20 5 CBBDHN COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[n-]2)C1 ZINC000285557607 196325592 /nfs/dbraw/zinc/32/55/92/196325592.db2.gz VBYOUGKCJRHGPZ-MRVPVSSYSA-N 0 3 283.288 -0.232 20 5 CBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@H](F)CN1 ZINC000368385790 420130079 /nfs/dbraw/zinc/13/00/79/420130079.db2.gz QUGKDOASKGWHGW-IUCAKERBSA-N 0 3 285.279 -0.002 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000572899091 420458153 /nfs/dbraw/zinc/45/81/53/420458153.db2.gz SKPUCRIMGUSSPZ-GFCCVEGCSA-N 0 3 295.299 -0.632 20 5 CBBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)nc1 ZINC000599201222 420491935 /nfs/dbraw/zinc/49/19/35/420491935.db2.gz GRYQBCGUTGSLJF-JTQLQIEISA-N 0 3 252.274 0.468 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1O ZINC000516936690 260333960 /nfs/dbraw/zinc/33/39/60/260333960.db2.gz LAHAFLWDYFMARC-IUCAKERBSA-N 0 3 268.273 -0.330 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1O ZINC000563695810 328479571 /nfs/dbraw/zinc/47/95/71/328479571.db2.gz GQIUOBIBEWOHFU-YUMQZZPRSA-N 0 3 269.261 -0.935 20 5 CBBDHN N[C@H]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000569139740 327038335 /nfs/dbraw/zinc/03/83/35/327038335.db2.gz SSYXZIPCOVKQMS-SCZZXKLOSA-N 0 3 295.274 -0.123 20 5 CBBDHN Cn1cnc([N+](=O)[O-])c1N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584124285 327046178 /nfs/dbraw/zinc/04/61/78/327046178.db2.gz ABXSSGFWJGGGDF-SFYZADRCSA-N 0 3 280.288 -0.924 20 5 CBBDHN COCCN(C)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558749854 327118916 /nfs/dbraw/zinc/11/89/16/327118916.db2.gz YRZLCYXXOXVFOU-UHFFFAOYSA-N 0 3 271.277 -0.374 20 5 CBBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1[nH]ncc1[N+](=O)[O-] ZINC000560508106 327316342 /nfs/dbraw/zinc/31/63/42/327316342.db2.gz RKQMHXPOPXRJQO-GFCCVEGCSA-N 0 3 295.299 -0.496 20 5 CBBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1n[nH]cc1[N+](=O)[O-] ZINC000560508106 327316343 /nfs/dbraw/zinc/31/63/43/327316343.db2.gz RKQMHXPOPXRJQO-GFCCVEGCSA-N 0 3 295.299 -0.496 20 5 CBBDHN Cc1n[nH]cc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576270977 335180185 /nfs/dbraw/zinc/18/01/85/335180185.db2.gz OBBQSRNQUVDIOO-NSHDSACASA-N 0 3 280.288 -0.026 20 5 CBBDHN C[C@H](NC(=O)C(=O)NC1CNC1)c1ccccc1[N+](=O)[O-] ZINC000565706572 334589388 /nfs/dbraw/zinc/58/93/88/334589388.db2.gz KJBPWBJHZYLPGY-QMMMGPOBSA-N 0 3 292.295 -0.140 20 5 CBBDHN O=[N+]([O-])c1cccc(OCCNC(CO)CO)c1 ZINC000580723103 335960163 /nfs/dbraw/zinc/96/01/63/335960163.db2.gz PJHKGKMCCYSDBC-UHFFFAOYSA-N 0 3 256.258 -0.084 20 5 CBBDHN CCN(CCNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000354875679 528484076 /nfs/dbraw/zinc/48/40/76/528484076.db2.gz ANSJEDXOMDVTTI-UHFFFAOYSA-N 0 3 282.304 -0.213 20 5 CBBDHN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCCN(C)C1 ZINC000356809275 536012971 /nfs/dbraw/zinc/01/29/71/536012971.db2.gz RFZMSFCJSKFVCG-VIFPVBQESA-N 0 3 282.304 -0.261 20 5 CBBDHN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCCN(C)C1 ZINC000356809273 536013078 /nfs/dbraw/zinc/01/30/78/536013078.db2.gz RFZMSFCJSKFVCG-SECBINFHSA-N 0 3 282.304 -0.261 20 5 CBBDHN O=[N+]([O-])c1ccc([C@H](O)CNC(CO)CO)cc1 ZINC000134757653 582125186 /nfs/dbraw/zinc/12/51/86/582125186.db2.gz UAPNQZSNZLAKEC-LLVKDONJSA-N 0 3 256.258 -0.429 20 5 CBBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000743272075 582276301 /nfs/dbraw/zinc/27/63/01/582276301.db2.gz MANSSKMJJGVFOF-PWSUYJOCSA-N 0 3 283.332 -0.212 20 5 CBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H](CO)CN1CCCC1 ZINC000808222798 582442432 /nfs/dbraw/zinc/44/24/32/582442432.db2.gz XXKCYDMJEOVLBG-SNVBAGLBSA-N 0 3 297.315 -0.636 20 5 CBBDHN CC(COC(=O)CCCN1C(=O)CNC1=O)[N+](=O)[O-] ZINC000813107621 582453848 /nfs/dbraw/zinc/45/38/48/582453848.db2.gz PHSFWKDQMZLFGI-ZETCQYMHSA-N 0 3 273.245 -0.473 20 5 CBBDHN CC(COC(=O)CN(C)S(C)(=O)=O)[N+](=O)[O-] ZINC000813114278 582453955 /nfs/dbraw/zinc/45/39/55/582453955.db2.gz OPZNXRIGMIYQKQ-ZCFIWIBFSA-N 0 3 254.264 -0.914 20 5 CBBDHN CC(COC(=O)[C@H]1CCCN1S(C)(=O)=O)[N+](=O)[O-] ZINC000813113117 582453984 /nfs/dbraw/zinc/45/39/84/582453984.db2.gz XLOPPQKUSCSYGO-JGVFFNPUSA-N 0 3 280.302 -0.381 20 5 CBBDHN CC(COC(=O)CS(=O)(=O)NC(C)(C)C)[N+](=O)[O-] ZINC000813115148 582453999 /nfs/dbraw/zinc/45/39/99/582453999.db2.gz LGONMPOYBNHVPE-SSDOTTSWSA-N 0 3 282.318 -0.087 20 5 CBBDHN Cn1nnnc1CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819205809 582528797 /nfs/dbraw/zinc/52/87/97/582528797.db2.gz NSNGRLGJVHXLMS-NSHDSACASA-N 0 3 292.299 -0.016 20 5 CBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@]1(F)CCNC1 ZINC000831411784 582979919 /nfs/dbraw/zinc/97/99/19/582979919.db2.gz IUDUOPGNEHLVPI-SNVBAGLBSA-N 0 3 271.252 -0.391 20 5 CBBDHN CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000834301548 583119682 /nfs/dbraw/zinc/11/96/82/583119682.db2.gz LHLYVCHNKUCTFF-SNVBAGLBSA-N 0 3 293.327 -0.108 20 5 CBBDHN COC(=O)[C@@H](O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843089056 583201050 /nfs/dbraw/zinc/20/10/50/583201050.db2.gz QOKPGNXMWDEXKA-QWRGUYRKSA-N 0 3 284.268 -0.248 20 5 CBBDHN Cc1nn(CC(=O)OCC(C)[N+](=O)[O-])c(=O)n1C ZINC000847714441 583414979 /nfs/dbraw/zinc/41/49/79/583414979.db2.gz UJTJVHBVHMUFJJ-ZCFIWIBFSA-N 0 3 258.234 -0.901 20 5 CBBDHN CC(COC(=O)C1(n2cnnn2)CCOCC1)[N+](=O)[O-] ZINC000851037534 583510638 /nfs/dbraw/zinc/51/06/38/583510638.db2.gz VWVHQZZVFFJBKK-QMMMGPOBSA-N 0 3 285.260 -0.613 20 5 CBBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC2(CNC2)C1 ZINC000854014937 583593303 /nfs/dbraw/zinc/59/33/03/583593303.db2.gz FQDPLQUTJGQSTH-UHFFFAOYSA-N 0 3 292.295 -0.009 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000854466273 583604211 /nfs/dbraw/zinc/60/42/11/583604211.db2.gz ZWIRPKRHEZWDPD-ZETCQYMHSA-N 0 3 283.288 -0.776 20 5 CBBDHN CN1CC[C@](O)(CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000893186783 584636320 /nfs/dbraw/zinc/63/63/20/584636320.db2.gz FCBRFNPWAPTIEK-JTQLQIEISA-N 0 3 255.278 -0.193 20 5 CBBDHN CCN(CC)C(=O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000228808327 656110388 /nfs/dbraw/zinc/11/03/88/656110388.db2.gz BHIXNIRFIZSGQZ-LLVKDONJSA-N 0 3 299.331 -0.390 20 5 CBBDHN O=C(c1ccn[nH]1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010415532 657180813 /nfs/dbraw/zinc/18/08/13/657180813.db2.gz WJWOGJOOJOURMQ-PSASIEDQSA-N 0 3 293.283 -0.641 20 5 CBBDHN Cn1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001020139378 658016596 /nfs/dbraw/zinc/01/65/96/658016596.db2.gz ZUMBMCCIYLPALD-YJFSRANCSA-N 0 3 294.315 -0.783 20 5 CBBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001324153158 804114163 /nfs/dbraw/zinc/11/41/63/804114163.db2.gz JFQKTSKPHFKGKA-GDNZZTSVSA-N 0 3 279.296 -0.073 20 5 CBBDHN COC(=O)c1cc([N+](=O)[O-])cnc1-n1nncc1CN ZINC001158420746 815527866 /nfs/dbraw/zinc/52/78/66/815527866.db2.gz YQCSFAKEWCHXOP-UHFFFAOYSA-N 0 3 278.228 -0.184 20 5 CBBDHN CN1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001123934926 813296941 /nfs/dbraw/zinc/29/69/41/813296941.db2.gz IVJSAGWXVDEEDY-GHMZBOCLSA-N 0 3 268.317 -0.890 20 5 CBBDHN CN1CCN(C)[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001136761558 814571097 /nfs/dbraw/zinc/57/10/97/814571097.db2.gz PWKXCONCGUXNDB-IVZWLZJFSA-N 0 3 256.306 -0.986 20 5 CBBDHN CN1CCC(CCO)(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001137991067 814598972 /nfs/dbraw/zinc/59/89/72/814598972.db2.gz QABJIVOCMHOJFX-UHFFFAOYSA-N 0 3 297.315 -0.106 20 5 CBBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC(N[C@H]3CCOC3)C2)n1 ZINC001304086513 816778562 /nfs/dbraw/zinc/77/85/62/816778562.db2.gz YFBKXQHQCITCET-QMMMGPOBSA-N 0 3 295.299 -0.469 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H](CO)[C@H](CCO)C2)c1 ZINC001308162969 816822847 /nfs/dbraw/zinc/82/28/47/816822847.db2.gz JXDJHJKIPRSBDC-MNOVXSKESA-N 0 3 284.316 -0.286 20 5 CBBDHN COc1ccc(N(C)S(=O)(=O)CCN)nc1[N+](=O)[O-] ZINC001164286872 819898150 /nfs/dbraw/zinc/89/81/50/819898150.db2.gz CXZRQVJDUXWMSB-UHFFFAOYSA-N 0 3 290.301 -0.277 20 5 CBBDHN CN(c1ccc2ncc([N+](=O)[O-])n2c1)S(=O)(=O)CCN ZINC001164296807 819903473 /nfs/dbraw/zinc/90/34/73/819903473.db2.gz QHNSHMYMUKKZIO-UHFFFAOYSA-N 0 3 299.312 -0.033 20 5 CBBDHN CN(c1cc([N+](=O)[O-])c(=O)n(C)c1)S(=O)(=O)CCN ZINC001164296718 819904405 /nfs/dbraw/zinc/90/44/05/819904405.db2.gz MTUSNWLINJRKJA-UHFFFAOYSA-N 0 3 290.301 -0.982 20 5 CBBDHN NC(=O)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001165614604 819976562 /nfs/dbraw/zinc/97/65/62/819976562.db2.gz XHYKYUUGJVCUHN-UHFFFAOYSA-N 0 3 280.284 -0.324 20 5 CBBDHN COc1nc(-n2nncc2CN)nc(C)c1[N+](=O)[O-] ZINC001169307742 820225691 /nfs/dbraw/zinc/22/56/91/820225691.db2.gz CDWGYZMCKMQEQB-UHFFFAOYSA-N 0 3 265.233 -0.259 20 5 CBBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2nncc2CN)n1 ZINC001169309133 820226374 /nfs/dbraw/zinc/22/63/74/820226374.db2.gz ZWOLKRQXCJIHPU-UHFFFAOYSA-N 0 3 278.228 -0.184 20 5 CBBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H](CO)C(N)=O ZINC001173234930 820400932 /nfs/dbraw/zinc/40/09/32/820400932.db2.gz QZYHSVWHMYHKMW-LDYMZIIASA-N 0 3 267.285 -0.038 20 5 CBBDHN CN(CCO)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001187593661 822283378 /nfs/dbraw/zinc/28/33/78/822283378.db2.gz NFLMKWQRIISZMK-UHFFFAOYSA-N 0 3 256.266 -0.697 20 5 CBBDHN NCCS(=O)(=O)N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572569 825967628 /nfs/dbraw/zinc/96/76/28/825967628.db2.gz QCUHDLIVPNMRHU-SNVBAGLBSA-N 0 3 285.325 -0.060 20 5 CBBDHN CC(C)CCN1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001278864139 828302478 /nfs/dbraw/zinc/30/24/78/828302478.db2.gz ROQFVZUYQAESMT-GHMZBOCLSA-N 0 3 285.344 -0.139 20 5 CBBDHN Cc1n[nH]c(C(=O)NC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001326936239 885197928 /nfs/dbraw/zinc/19/79/28/885197928.db2.gz GDBHWVPAUTWETD-SSDOTTSWSA-N 0 3 269.261 -0.655 20 5 CBBDHN Cc1c(CN)c(NC(=O)Cn2cc([N+](=O)[O-])cn2)nn1C ZINC001328456027 885694079 /nfs/dbraw/zinc/69/40/79/885694079.db2.gz UCMGHWCRTJUPJM-UHFFFAOYSA-N 0 3 293.287 -0.069 20 5 CBBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1c[nH]nc1[N+](=O)[O-] ZINC001340015690 889365692 /nfs/dbraw/zinc/36/56/92/889365692.db2.gz FBYNRPMZSNOYTI-IUCAKERBSA-N 0 3 295.299 -0.089 20 5 CBBDHN CCN(CCO)CCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001467376748 915208824 /nfs/dbraw/zinc/20/88/24/915208824.db2.gz STXLEKJPVHQFHS-UHFFFAOYSA-N 0 3 299.331 -0.470 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@](C)(O)CN(C)C ZINC000337457353 214092407 /nfs/dbraw/zinc/09/24/07/214092407.db2.gz NQSWPRKNMOUYBC-LBPRGKRZSA-N 0 3 299.331 -0.471 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2CO)c1 ZINC000266561544 230192887 /nfs/dbraw/zinc/19/28/87/230192887.db2.gz XSIBUVVPAZYNGT-ONGXEEELSA-N 0 3 270.289 -0.391 20 5 CBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CNCCC1(F)F ZINC000573372575 334932362 /nfs/dbraw/zinc/93/23/62/334932362.db2.gz SKIDVBJCAZTFIF-MRVPVSSYSA-N 0 3 289.242 -0.095 20 5 CBBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000351825064 219217468 /nfs/dbraw/zinc/21/74/68/219217468.db2.gz GEPLPEUTNHKZGH-MIMYLULJSA-N 0 3 270.289 -0.535 20 5 CBBDHN NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000002599511 351309994 /nfs/dbraw/zinc/30/99/94/351309994.db2.gz UIKQTHWTYLJSTN-UHFFFAOYSA-N 0 3 292.295 -0.162 20 5 CBBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N(C)C ZINC000049098037 351485660 /nfs/dbraw/zinc/48/56/60/351485660.db2.gz XFIBXYMKNIVVIT-WPRPVWTQSA-N 0 3 285.304 -0.782 20 5 CBBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H](O)CO)cc1 ZINC000095082617 351767318 /nfs/dbraw/zinc/76/73/18/351767318.db2.gz DOASXPUDFCLNMD-GHMZBOCLSA-N 0 3 256.258 -0.429 20 5 CBBDHN Cn1c(C(=O)N2CCN(C)C[C@H]2CN)ccc1[N+](=O)[O-] ZINC000124292496 351855355 /nfs/dbraw/zinc/85/53/55/351855355.db2.gz WUPMWRWTDSUVJH-SECBINFHSA-N 0 3 281.316 -0.352 20 5 CBBDHN O=C(NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])o1 ZINC000134257588 351904417 /nfs/dbraw/zinc/90/44/17/351904417.db2.gz QMYAQZUYQNFIHF-ZETCQYMHSA-N 0 3 255.230 -0.094 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](O)C2)c1 ZINC000174649562 352049767 /nfs/dbraw/zinc/04/97/67/352049767.db2.gz IOBVTAHBCCELMF-WDEREUQCSA-N 0 3 270.289 -0.391 20 5 CBBDHN O=C(CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000228812138 352265121 /nfs/dbraw/zinc/26/51/21/352265121.db2.gz NKZRDQODZJRENL-NSHDSACASA-N 0 3 297.315 -0.636 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H](O)C(F)(F)F)c1 ZINC000236532333 352290213 /nfs/dbraw/zinc/29/02/13/352290213.db2.gz NMUANVMADOYGAB-JGVFFNPUSA-N 0 3 298.221 -0.335 20 5 CBBDHN C[C@]1(O)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245880906 352325127 /nfs/dbraw/zinc/32/51/27/352325127.db2.gz ICPORKCTRWXGMI-NEPJUHHUSA-N 0 3 284.316 -0.001 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](CO)C2)c1 ZINC000304380525 352746376 /nfs/dbraw/zinc/74/63/76/352746376.db2.gz YFEHPDRWCVORFL-CMPLNLGQSA-N 0 3 284.316 -0.144 20 5 CBBDHN CN1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000330519479 352839023 /nfs/dbraw/zinc/83/90/23/352839023.db2.gz PISRZJGOVZNMPD-SSDOTTSWSA-N 0 3 253.262 -0.001 20 5 CBBDHN CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1 ZINC000175435901 137635443 /nfs/dbraw/zinc/63/54/43/137635443.db2.gz ULFLFCLJIQMFOU-UHFFFAOYSA-N 0 3 294.311 -0.033 20 5 CBBDHN C[C@@H]1[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCCN1C ZINC000343565595 353279478 /nfs/dbraw/zinc/27/94/78/353279478.db2.gz RUSZWJHHLGXTAD-RKDXNWHRSA-N 0 3 282.304 -0.215 20 5 CBBDHN O=C(NCCNc1ccncc1)c1[nH]ncc1[N+](=O)[O-] ZINC000343199828 353259418 /nfs/dbraw/zinc/25/94/18/353259418.db2.gz HKRUPVSOQXCPHB-UHFFFAOYSA-N 0 3 276.256 -0.023 20 5 CBBDHN C[C@H]1CCN(C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354006708 353537649 /nfs/dbraw/zinc/53/76/49/353537649.db2.gz NCTFHCWMWNHADI-VIFPVBQESA-N 0 3 282.304 -0.261 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000358047609 353621449 /nfs/dbraw/zinc/62/14/49/353621449.db2.gz MBFMQYMPBYJZKP-LLVKDONJSA-N 0 3 269.257 -0.016 20 5 CBBDHN CN1CC[C@@](O)(CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000358325087 353638064 /nfs/dbraw/zinc/63/80/64/353638064.db2.gz AJBNCTZGVASSFF-SNVBAGLBSA-N 0 3 255.278 -0.193 20 5 CBBDHN CN1CC[C@](O)(CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000358359233 353639791 /nfs/dbraw/zinc/63/97/91/353639791.db2.gz UHJUZSODBCQPQA-LBPRGKRZSA-N 0 3 295.299 -0.433 20 5 CBBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCCNc2ccncc2)n1 ZINC000357963750 353617327 /nfs/dbraw/zinc/61/73/27/353617327.db2.gz KJEBYLPXVRCTOP-UHFFFAOYSA-N 0 3 290.283 -0.013 20 5 CBBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000546719557 354655396 /nfs/dbraw/zinc/65/53/96/354655396.db2.gz KLTSHSUEOGZTLU-UHFFFAOYSA-N 0 3 284.316 -0.023 20 5 CBBDHN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](CN)C1 ZINC000569972491 354851782 /nfs/dbraw/zinc/85/17/82/354851782.db2.gz ZBWAYPBCRSQEKJ-SECBINFHSA-N 0 3 293.327 -0.108 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1O ZINC000570561836 354863712 /nfs/dbraw/zinc/86/37/12/354863712.db2.gz OCSVSMMQHVPSEA-QWRGUYRKSA-N 0 3 282.300 -0.320 20 5 CBBDHN CN1C[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590044105 355073533 /nfs/dbraw/zinc/07/35/33/355073533.db2.gz GYCRAVMTCBZOMU-MWLCHTKSSA-N 0 3 279.300 -0.046 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000590369686 355076251 /nfs/dbraw/zinc/07/62/51/355076251.db2.gz KDGOVCGGECQMOS-MRVPVSSYSA-N 0 3 268.273 -0.358 20 5 CBBDHN CN1C[C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590444951 355080727 /nfs/dbraw/zinc/08/07/27/355080727.db2.gz OJFQGWXGKHSYFP-NXEZZACHSA-N 0 3 279.300 -0.046 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000588864651 355062319 /nfs/dbraw/zinc/06/23/19/355062319.db2.gz LLGVIMGWAWKJRB-QMMMGPOBSA-N 0 3 282.300 -0.171 20 5 CBBDHN CCN1CC[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000591765804 355112946 /nfs/dbraw/zinc/11/29/46/355112946.db2.gz IUHGJWGZRPYNKR-QWRGUYRKSA-N 0 3 297.315 -0.637 20 5 CBBDHN CC1(OCC(=O)NCCn2cc([N+](=O)[O-])cn2)CNC1 ZINC000592565188 355165303 /nfs/dbraw/zinc/16/53/03/355165303.db2.gz XPAYLAJGYUHZDV-UHFFFAOYSA-N 0 3 283.288 -0.714 20 5 CBBDHN CN(C)CCN1CCN(c2c([N+](=O)[O-])ncn2C)CC1=O ZINC000593486400 355207045 /nfs/dbraw/zinc/20/70/45/355207045.db2.gz VRKKQWNZAOZEMC-UHFFFAOYSA-N 0 3 296.331 -0.462 20 5 CBBDHN O=[N+]([O-])c1ccn(CCN2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000594027917 355234800 /nfs/dbraw/zinc/23/48/00/355234800.db2.gz VGDZYDKRQCJSQL-WDEREUQCSA-N 0 3 281.316 -0.458 20 5 CBBDHN NC[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(F)(F)F ZINC000594451374 355248799 /nfs/dbraw/zinc/24/87/99/355248799.db2.gz SNTWWUWUYBFLJV-SCSAIBSYSA-N 0 3 267.167 -0.063 20 5 CBBDHN N[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1F ZINC000595260599 355275729 /nfs/dbraw/zinc/27/57/29/355275729.db2.gz FGLNRQNPKCEVPM-NXEZZACHSA-N 0 3 298.274 -0.346 20 5 CBBDHN CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCN(C)C1 ZINC000597945525 355423951 /nfs/dbraw/zinc/42/39/51/355423951.db2.gz HOWYMRSVZLNEEH-SECBINFHSA-N 0 3 282.304 -0.261 20 5 CBBDHN Cn1cc(CN2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602707263 355667438 /nfs/dbraw/zinc/66/74/38/355667438.db2.gz UPXLCVUCKNWSAL-WDEREUQCSA-N 0 3 281.316 -0.421 20 5 CBBDHN CCN1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330662289 203091566 /nfs/dbraw/zinc/09/15/66/203091566.db2.gz SHDRNJBQUCFCTO-SECBINFHSA-N 0 3 282.304 -0.213 20 5 CBBDHN CC(C)(C(=O)NC[C@H]1CNCCO1)n1cc([N+](=O)[O-])cn1 ZINC000574311715 335009312 /nfs/dbraw/zinc/00/93/12/335009312.db2.gz CGYGDMVPQMPYIF-SNVBAGLBSA-N 0 3 297.315 -0.369 20 5 CBBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360646999 373222299 /nfs/dbraw/zinc/22/22/99/373222299.db2.gz LICZWPIMJHSDCF-LLVKDONJSA-N 0 3 285.304 -0.629 20 5 CBBDHN C[C@]1(C(N)=O)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000361558846 373309796 /nfs/dbraw/zinc/30/97/96/373309796.db2.gz YUBKVHZLBZBGBT-NSHDSACASA-N 0 3 267.289 -0.011 20 5 CBBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1[nH]ncc1[N+](=O)[O-] ZINC000362397043 373403793 /nfs/dbraw/zinc/40/37/93/373403793.db2.gz QMNPXVZYWKVKIO-BDAKNGLRSA-N 0 3 295.299 -0.089 20 5 CBBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000362397043 373403805 /nfs/dbraw/zinc/40/38/05/373403805.db2.gz QMNPXVZYWKVKIO-BDAKNGLRSA-N 0 3 295.299 -0.089 20 5 CBBDHN CCc1n[nH]c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000515497640 373789174 /nfs/dbraw/zinc/78/91/74/373789174.db2.gz YCXWADPGOZFNJH-IUCAKERBSA-N 0 3 297.315 -0.373 20 5 CBBDHN CCc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000515497640 373789179 /nfs/dbraw/zinc/78/91/79/373789179.db2.gz YCXWADPGOZFNJH-IUCAKERBSA-N 0 3 297.315 -0.373 20 5 CBBDHN N[C@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])cn3)CCN2C1=O ZINC000575331431 374337851 /nfs/dbraw/zinc/33/78/51/374337851.db2.gz WHJWSATYOSJZES-UWVGGRQHSA-N 0 3 277.284 -0.262 20 5 CBBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356413962 248246118 /nfs/dbraw/zinc/24/61/18/248246118.db2.gz BKHWHBVILHDMTR-VHSXEESVSA-N 0 3 296.331 -0.015 20 5 CBBDHN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCN(C2CC2)C1 ZINC000347003558 218088726 /nfs/dbraw/zinc/08/87/26/218088726.db2.gz GKQVPKKXYFXKIE-JTQLQIEISA-N 0 3 294.315 -0.119 20 5 CBBDHN O=[N+]([O-])c1ccn(CCN2[C@@H](CO)CC[C@H]2CO)n1 ZINC000347292530 218179989 /nfs/dbraw/zinc/17/99/89/218179989.db2.gz BVFQCQLCIXKUOK-AOOOYVTPSA-N 0 3 270.289 -0.391 20 5 CBBDHN O=c1ccc([N+](=O)[O-])cn1CCN1[C@H](CO)CC[C@H]1CO ZINC000347354846 218202799 /nfs/dbraw/zinc/20/27/99/218202799.db2.gz ZMLMSMLIBZNTOX-RYUDHWBXSA-N 0 3 297.311 -0.426 20 5 CBBDHN COC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266515207 190263454 /nfs/dbraw/zinc/26/34/54/190263454.db2.gz YRTIZBCRZFMQFT-KOLCDFICSA-N 0 3 298.299 -0.353 20 5 CBBDHN O=C(CCN1C[C@@H](O)[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278859174 194186319 /nfs/dbraw/zinc/18/63/19/194186319.db2.gz RXHMSUIAWSLIFG-VXGBXAGGSA-N 0 3 295.295 -0.039 20 5 CBBDHN O=C(CCN1C[C@H](O)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278859152 194186661 /nfs/dbraw/zinc/18/66/61/194186661.db2.gz RXHMSUIAWSLIFG-RYUDHWBXSA-N 0 3 295.295 -0.039 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(CCO)C2CC2)c1 ZINC000266543053 190265262 /nfs/dbraw/zinc/26/52/62/190265262.db2.gz QWHIJIVGYOCZKV-LLVKDONJSA-N 0 3 270.289 -0.391 20 5 CBBDHN CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O ZINC000440964162 208347414 /nfs/dbraw/zinc/34/74/14/208347414.db2.gz NLPBFMHJEJIQKK-MNOVXSKESA-N 0 3 297.315 -0.637 20 5 CBBDHN COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[n-]2)C1 ZINC000285557613 196325721 /nfs/dbraw/zinc/32/57/21/196325721.db2.gz VBYOUGKCJRHGPZ-QMMMGPOBSA-N 0 3 283.288 -0.232 20 5 CBBDHN COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[n-]2)C1 ZINC000285557613 196325722 /nfs/dbraw/zinc/32/57/22/196325722.db2.gz VBYOUGKCJRHGPZ-QMMMGPOBSA-N 0 3 283.288 -0.232 20 5 CBBDHN C[C@H](O)CN(CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000289738510 419611643 /nfs/dbraw/zinc/61/16/43/419611643.db2.gz JKPINJNVOOHFKC-JTQLQIEISA-N 0 3 285.300 -0.568 20 5 CBBDHN Nc1nc(NC[C@@H]2CN3CCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000363571471 420029269 /nfs/dbraw/zinc/02/92/69/420029269.db2.gz NXJCXCVIQKJLHY-DTWKUNHWSA-N 0 3 294.315 -0.336 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@@H](O)C3(CC3)C2)c1 ZINC000368787689 420143240 /nfs/dbraw/zinc/14/32/40/420143240.db2.gz ZHILTRASWCRVFB-WDEREUQCSA-N 0 3 282.300 -0.391 20 5 CBBDHN Cn1cnc([N+](=O)[O-])c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405261754 420225790 /nfs/dbraw/zinc/22/57/90/420225790.db2.gz JIRYQKOABQHLHP-DTWKUNHWSA-N 0 3 267.289 -0.417 20 5 CBBDHN COCCNCCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420217574 420249749 /nfs/dbraw/zinc/24/97/49/420249749.db2.gz JVIVDSRFEDYDGI-UHFFFAOYSA-N 0 3 255.278 0.341 20 5 CBBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356748321 230237964 /nfs/dbraw/zinc/23/79/64/230237964.db2.gz TXADOPBQZSTBGA-UHFFFAOYSA-N 0 3 255.278 -0.038 20 5 CBBDHN O=C1NC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@@H]12 ZINC000377683060 230296501 /nfs/dbraw/zinc/29/65/01/230296501.db2.gz ZBURGBPWQXCGFE-NXEZZACHSA-N 0 3 279.300 -0.141 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000597653161 420489764 /nfs/dbraw/zinc/48/97/64/420489764.db2.gz HKENUBMUSZMQEX-ZETCQYMHSA-N 0 3 283.288 -0.776 20 5 CBBDHN CN(C)[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000563363567 328058953 /nfs/dbraw/zinc/05/89/53/328058953.db2.gz HPCIHVHJRQAFLS-RYUDHWBXSA-N 0 3 296.327 -0.637 20 5 CBBDHN Cn1cnc([N+](=O)[O-])c1N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584124286 327046160 /nfs/dbraw/zinc/04/61/60/327046160.db2.gz ABXSSGFWJGGGDF-YUMQZZPRSA-N 0 3 280.288 -0.924 20 5 CBBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)C[C@@H]2CN)n1 ZINC000564944346 327247128 /nfs/dbraw/zinc/24/71/28/327247128.db2.gz NQWZFGQZYRDWHF-VIFPVBQESA-N 0 3 296.331 -0.474 20 5 CBBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC(CO)CO)c1 ZINC000578651858 327348271 /nfs/dbraw/zinc/34/82/71/327348271.db2.gz MDGMBNLMVCSAJN-NSHDSACASA-N 0 3 286.284 -0.723 20 5 CBBDHN O=C(CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)NCC1CC1 ZINC000393084276 329066680 /nfs/dbraw/zinc/06/66/80/329066680.db2.gz TZTOKIFCRLFFDM-LLVKDONJSA-N 0 3 297.315 -0.732 20 5 CBBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2OCCN[C@@H]2C1 ZINC000572167427 329951287 /nfs/dbraw/zinc/95/12/87/329951287.db2.gz FKQVVJJNULWEMU-MWLCHTKSSA-N 0 3 281.316 -0.109 20 5 CBBDHN Cc1nn(C)c(C(=O)N2CCN(C)C[C@@H]2CN)c1[N+](=O)[O-] ZINC000564944275 334529601 /nfs/dbraw/zinc/52/96/01/334529601.db2.gz KGIAHMSYNVMFOT-VIFPVBQESA-N 0 3 296.331 -0.648 20 5 CBBDHN NC(=O)[C@H](O)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577221271 335325426 /nfs/dbraw/zinc/32/54/26/335325426.db2.gz KPXUBADIHSMBPX-SNVBAGLBSA-N 0 3 296.283 -0.641 20 5 CBBDHN COc1ccc(OCCNC(CO)CO)c([N+](=O)[O-])c1 ZINC000577526460 335364726 /nfs/dbraw/zinc/36/47/26/335364726.db2.gz CUTOMEUGILGRJB-UHFFFAOYSA-N 0 3 286.284 -0.075 20 5 CBBDHN Cc1nc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000581380850 336065894 /nfs/dbraw/zinc/06/58/94/336065894.db2.gz HGWCRSKCBLGCBF-BDAKNGLRSA-N 0 3 292.299 -0.559 20 5 CBBDHN CN(CC[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000791054295 582392416 /nfs/dbraw/zinc/39/24/16/582392416.db2.gz ZJGLDDINEMROHD-UHFFFAOYSA-N 0 3 265.335 -0.381 20 5 CBBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000795849766 582410727 /nfs/dbraw/zinc/41/07/27/582410727.db2.gz ADBUUNHFRSODGK-RKDXNWHRSA-N 0 3 295.299 -0.089 20 5 CBBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000795849762 582410763 /nfs/dbraw/zinc/41/07/63/582410763.db2.gz ADBUUNHFRSODGK-DTWKUNHWSA-N 0 3 295.299 -0.089 20 5 CBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H](CO)CN1CCCC1 ZINC000808222796 582442347 /nfs/dbraw/zinc/44/23/47/582442347.db2.gz XXKCYDMJEOVLBG-JTQLQIEISA-N 0 3 297.315 -0.636 20 5 CBBDHN CC(COC(=O)CCN1CCCS1(=O)=O)[N+](=O)[O-] ZINC000813106908 582453838 /nfs/dbraw/zinc/45/38/38/582453838.db2.gz JINNGYUSPOKLAJ-MRVPVSSYSA-N 0 3 280.302 -0.380 20 5 CBBDHN CC(COC(=O)[C@@H]1CCCN(C(N)=O)C1)[N+](=O)[O-] ZINC000813105066 582453854 /nfs/dbraw/zinc/45/38/54/582453854.db2.gz VEEPEJJVUGNOEV-HTQZYQBOSA-N 0 3 259.262 -0.015 20 5 CBBDHN CC(COC(=O)CCC(=O)N1CCOCC1)[N+](=O)[O-] ZINC000813105650 582453875 /nfs/dbraw/zinc/45/38/75/582453875.db2.gz RDUYEMBFFAASKN-SECBINFHSA-N 0 3 274.273 -0.166 20 5 CBBDHN CC(COC(=O)CCCN1C(=O)CNC1=O)[N+](=O)[O-] ZINC000813107620 582453878 /nfs/dbraw/zinc/45/38/78/582453878.db2.gz PHSFWKDQMZLFGI-SSDOTTSWSA-N 0 3 273.245 -0.473 20 5 CBBDHN CC(COC(=O)C1CCN(S(C)(=O)=O)CC1)[N+](=O)[O-] ZINC000813109545 582453903 /nfs/dbraw/zinc/45/39/03/582453903.db2.gz LEBSRZHYGMZPDR-QMMMGPOBSA-N 0 3 294.329 -0.134 20 5 CBBDHN CCN(CC)S(=O)(=O)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813110158 582453986 /nfs/dbraw/zinc/45/39/86/582453986.db2.gz UAKGAJJKYYUHQE-QMMMGPOBSA-N 0 3 282.318 -0.134 20 5 CBBDHN CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000834301547 583119793 /nfs/dbraw/zinc/11/97/93/583119793.db2.gz LHLYVCHNKUCTFF-JTQLQIEISA-N 0 3 293.327 -0.108 20 5 CBBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H](O)CO)c1 ZINC000843064565 583198974 /nfs/dbraw/zinc/19/89/74/583198974.db2.gz ZIBTVPFIKWJUDG-GHMZBOCLSA-N 0 3 256.258 -0.429 20 5 CBBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H](O)CO)c1 ZINC000843064567 583199216 /nfs/dbraw/zinc/19/92/16/583199216.db2.gz ZIBTVPFIKWJUDG-QWRGUYRKSA-N 0 3 256.258 -0.429 20 5 CBBDHN CN(C)CCN1CCN(Cn2nccc2[N+](=O)[O-])CC1=O ZINC000844714526 583278254 /nfs/dbraw/zinc/27/82/54/583278254.db2.gz PIHDCZWAZXPACV-UHFFFAOYSA-N 0 3 296.331 -0.545 20 5 CBBDHN CC(COC(=O)c1ccc(-n2cnnn2)cn1)[N+](=O)[O-] ZINC000847714129 583414928 /nfs/dbraw/zinc/41/49/28/583414928.db2.gz KZYHVDWHTSOOGZ-ZETCQYMHSA-N 0 3 278.228 -0.121 20 5 CBBDHN CC(COC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)[N+](=O)[O-] ZINC000860777764 583754795 /nfs/dbraw/zinc/75/47/95/583754795.db2.gz VSPQYCBJKQIOBK-BSPPWYPYSA-N 0 3 285.252 -0.085 20 5 CBBDHN COC(=O)c1cnn(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000860776043 583754821 /nfs/dbraw/zinc/75/48/21/583754821.db2.gz AWMNEDLTULHPLA-SSDOTTSWSA-N 0 3 271.229 -0.122 20 5 CBBDHN C[C@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000928447576 659024497 /nfs/dbraw/zinc/02/44/97/659024497.db2.gz KZNJUUDLIITELC-GXSJLCMTSA-N 0 3 294.311 -0.035 20 5 CBBDHN NC(=O)CCN[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000916577336 657779508 /nfs/dbraw/zinc/77/95/08/657779508.db2.gz RVHVSNNYMORZNU-CMPLNLGQSA-N 0 3 283.284 -0.546 20 5 CBBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(CC(N)=O)CC1 ZINC001045436275 801697134 /nfs/dbraw/zinc/69/71/34/801697134.db2.gz OTXDFMZJYTZOTA-RKDXNWHRSA-N 0 3 284.316 -0.892 20 5 CBBDHN COCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001153979485 815191120 /nfs/dbraw/zinc/19/11/20/815191120.db2.gz CPQZPCPJEXHZEY-UHFFFAOYSA-N 0 3 285.304 -0.429 20 5 CBBDHN CN(c1ncc(F)cc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001156232291 815348079 /nfs/dbraw/zinc/34/80/79/815348079.db2.gz VLCHAIMQLMRHNL-UHFFFAOYSA-N 0 3 278.265 -0.146 20 5 CBBDHN COc1cnc(N(C)S(=O)(=O)CCN)c([N+](=O)[O-])c1 ZINC001156236830 815349290 /nfs/dbraw/zinc/34/92/90/815349290.db2.gz ROFPUPBWDRCQLB-UHFFFAOYSA-N 0 3 290.301 -0.277 20 5 CBBDHN CCc1nnc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001157766908 815462673 /nfs/dbraw/zinc/46/26/73/815462673.db2.gz BOHGPDRVILRMFZ-RKDXNWHRSA-N 0 3 297.315 -0.107 20 5 CBBDHN CCn1nncc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001118898143 812656553 /nfs/dbraw/zinc/65/65/53/812656553.db2.gz UMLNJPIRISKXFT-NSHDSACASA-N 0 3 295.303 -0.447 20 5 CBBDHN Cn1ccnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932103 813695097 /nfs/dbraw/zinc/69/50/97/813695097.db2.gz IUZUZYHAYUSFMW-RKDXNWHRSA-N 0 3 267.289 -0.709 20 5 CBBDHN O=C(NCCNCc1cnns1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936975 813698005 /nfs/dbraw/zinc/69/80/05/813698005.db2.gz ZIPTWRCFRWSKDM-HTQZYQBOSA-N 0 3 271.302 -0.591 20 5 CBBDHN NCc1ccnn1-c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001162592592 815835325 /nfs/dbraw/zinc/83/53/25/815835325.db2.gz JVDSEBMFRPQKSG-UHFFFAOYSA-N 0 3 262.229 -0.267 20 5 CBBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CCN(C)C2)n1 ZINC001320222552 817297189 /nfs/dbraw/zinc/29/71/89/817297189.db2.gz BEXKOWWXFHXYDK-LLVKDONJSA-N 0 3 283.288 -0.875 20 5 CBBDHN Cc1nn(C)c(C(=O)NC[C@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC001321134966 817447705 /nfs/dbraw/zinc/44/77/05/817447705.db2.gz CBFPSCRNUWPDSQ-GFCCVEGCSA-N 0 3 297.315 -0.567 20 5 CBBDHN CS(=O)(=O)N(c1cc(N)c([N+](=O)[O-])cn1)C1CNC1 ZINC001166968770 820058046 /nfs/dbraw/zinc/05/80/46/820058046.db2.gz LDAOBKGYPDNHES-UHFFFAOYSA-N 0 3 287.301 -0.690 20 5 CBBDHN NCCS(=O)(=O)N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966008 820197920 /nfs/dbraw/zinc/19/79/20/820197920.db2.gz FQRQRCXFZPNSGW-YUMQZZPRSA-N 0 3 251.308 -0.690 20 5 CBBDHN NCCS(=O)(=O)N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966007 820197987 /nfs/dbraw/zinc/19/79/87/820197987.db2.gz FQRQRCXFZPNSGW-SFYZADRCSA-N 0 3 251.308 -0.690 20 5 CBBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)[C@H]1CNCCO1 ZINC001170565218 820306622 /nfs/dbraw/zinc/30/66/22/820306622.db2.gz UKCPESCBKXOZME-GMSGAONNSA-N 0 3 295.299 -0.123 20 5 CBBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)C(N)=O ZINC001173219913 820399988 /nfs/dbraw/zinc/39/99/88/820399988.db2.gz QZYHSVWHMYHKMW-KWQFWETISA-N 0 3 267.285 -0.038 20 5 CBBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)NCC(N)=O ZINC001173230618 820401245 /nfs/dbraw/zinc/40/12/45/820401245.db2.gz SDYCIBGQGKSKBS-VIFPVBQESA-N 0 3 294.311 -0.283 20 5 CBBDHN COC(=O)[C@@H]1CNCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246857199 825722793 /nfs/dbraw/zinc/72/27/93/825722793.db2.gz LRQWMLSLTUUOFM-DCAQKATOSA-N 0 3 271.317 -0.121 20 5 CBBDHN COC(=O)[C@@H]1CNCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246857202 825723188 /nfs/dbraw/zinc/72/31/88/825723188.db2.gz LRQWMLSLTUUOFM-MXWKQRLJSA-N 0 3 271.317 -0.121 20 5 CBBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NC(CO)(CO)CO)C2 ZINC001254580231 825967174 /nfs/dbraw/zinc/96/71/74/825967174.db2.gz BKWOSZWXRCPWTG-LLVKDONJSA-N 0 3 282.296 -0.633 20 5 CBBDHN NC(=O)CNC(=O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588681 825967359 /nfs/dbraw/zinc/96/73/59/825967359.db2.gz HUEVHDHHIAWRHZ-JTQLQIEISA-N 0 3 292.295 -0.747 20 5 CBBDHN CN(CCCNCc1cnon1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268792136 827423654 /nfs/dbraw/zinc/42/36/54/827423654.db2.gz VSHIIFHJAVAAHF-NXEZZACHSA-N 0 3 283.288 -0.327 20 5 CBBDHN NC(=O)[C@@H](O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326236788 884952328 /nfs/dbraw/zinc/95/23/28/884952328.db2.gz NZUHRFVQWGAZKI-UWVGGRQHSA-N 0 3 269.257 -0.936 20 5 CBBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1c[nH]nc1[N+](=O)[O-] ZINC001340015688 889365055 /nfs/dbraw/zinc/36/50/55/889365055.db2.gz FBYNRPMZSNOYTI-BDAKNGLRSA-N 0 3 295.299 -0.089 20 5 CBBDHN O=C(NC[C@@H]1CNCCO1)c1[nH]ncc1[N+](=O)[O-] ZINC001349271276 890786263 /nfs/dbraw/zinc/78/62/63/890786263.db2.gz JRJJZNDNCVQLCV-LURJTMIESA-N 0 3 255.234 -0.964 20 5 CBBDHN CS(=O)(=O)CCN1CCC(NCC[N+](=O)[O-])CC1 ZINC001356100611 891729520 /nfs/dbraw/zinc/72/95/20/891729520.db2.gz QBZGATDWVBNYLI-UHFFFAOYSA-N 0 3 279.362 -0.638 20 5 CBBDHN CN1CCC[C@@H]1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001458892557 914688946 /nfs/dbraw/zinc/68/89/46/914688946.db2.gz JQQOQCPZZKWNIP-MRVPVSSYSA-N 0 3 280.284 -0.050 20 5 CBBDHN CN(CCO)CCN(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001557695438 924130201 /nfs/dbraw/zinc/13/02/01/924130201.db2.gz UDMGNQNWRQUWFO-UHFFFAOYSA-N 0 3 271.277 -0.686 20 5 CBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC(N[C@@H]2CCOC2)C1 ZINC001558548366 924180894 /nfs/dbraw/zinc/18/08/94/924180894.db2.gz AZHONVQYCMAFPS-SECBINFHSA-N 0 3 295.299 -0.619 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](O)CC2)c1 ZINC000339782175 215337878 /nfs/dbraw/zinc/33/78/78/215337878.db2.gz WXKGXNOSZBQAGF-NEPJUHHUSA-N 0 3 284.316 -0.001 20 5 CBBDHN Cn1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000041159583 351422662 /nfs/dbraw/zinc/42/26/62/351422662.db2.gz WJVRCFBCKIDFAT-NSHDSACASA-N 0 3 280.288 -0.325 20 5 CBBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N(C)C ZINC000049098043 351485871 /nfs/dbraw/zinc/48/58/71/351485871.db2.gz XFIBXYMKNIVVIT-WCBMZHEXSA-N 0 3 285.304 -0.782 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2CO)c1 ZINC000075716053 351671619 /nfs/dbraw/zinc/67/16/19/351671619.db2.gz XSIBUVVPAZYNGT-KOLCDFICSA-N 0 3 270.289 -0.391 20 5 CBBDHN O=[N+]([O-])c1ccc(OCCNC(CO)CO)cc1 ZINC000087753309 351723310 /nfs/dbraw/zinc/72/33/10/351723310.db2.gz RIBKXOAGYSYAGO-UHFFFAOYSA-N 0 3 256.258 -0.084 20 5 CBBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](CN)C1 ZINC000122584363 351852777 /nfs/dbraw/zinc/85/27/77/351852777.db2.gz JHMFFUWMRHHEBO-MRVPVSSYSA-N 0 3 268.273 -0.097 20 5 CBBDHN [NH3+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000122457589 187033442 /nfs/dbraw/zinc/03/34/42/187033442.db2.gz BIFURIBEXOZEOP-UHFFFAOYSA-N 0 3 251.289 -0.107 20 5 CBBDHN CC(C)(C)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000173343301 352036277 /nfs/dbraw/zinc/03/62/77/352036277.db2.gz KQGGEECLPNTXGR-UWVGGRQHSA-N 0 3 299.331 -0.358 20 5 CBBDHN CCCN(CC(=O)NC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173556335 352039292 /nfs/dbraw/zinc/03/92/92/352039292.db2.gz GQEBADFMFMINHS-NSHDSACASA-N 0 3 299.331 -0.390 20 5 CBBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1O ZINC000186783733 352131702 /nfs/dbraw/zinc/13/17/02/352131702.db2.gz YWLVQTFFFGLTPC-USWWRNFRSA-N 0 3 284.316 -0.145 20 5 CBBDHN C[C@H](O)CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000190919020 352185171 /nfs/dbraw/zinc/18/51/71/352185171.db2.gz NDNZQPUZEQHOCY-UWVGGRQHSA-N 0 3 272.305 -0.145 20 5 CBBDHN Cc1c(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000226382647 352252226 /nfs/dbraw/zinc/25/22/26/352252226.db2.gz LEIVTMZGWVGGTD-LBPRGKRZSA-N 0 3 294.315 -0.016 20 5 CBBDHN C[C@H](CO)N(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](C)O ZINC000248885720 352357767 /nfs/dbraw/zinc/35/77/67/352357767.db2.gz DXRGRXIZCHQSOF-MNOVXSKESA-N 0 3 299.327 -0.180 20 5 CBBDHN COCCN1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000270805812 352502090 /nfs/dbraw/zinc/50/20/90/352502090.db2.gz VMZJXYZDPNZQDL-QMMMGPOBSA-N 0 3 283.288 -0.232 20 5 CBBDHN CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000271011003 352506880 /nfs/dbraw/zinc/50/68/80/352506880.db2.gz ZTRCZUQHSIEYRD-YUSALJHKSA-N 0 3 284.316 -0.145 20 5 CBBDHN COC[C@H]1CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293516160 352693373 /nfs/dbraw/zinc/69/33/73/352693373.db2.gz IJIWMWSMMXDVDX-MWLCHTKSSA-N 0 3 270.289 -0.127 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2COCCOC2)c1 ZINC000313533003 352777392 /nfs/dbraw/zinc/77/73/92/352777392.db2.gz NCERFZVKARVOKT-LLVKDONJSA-N 0 3 286.288 -0.843 20 5 CBBDHN C[C@H]1CN(C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256444 352897640 /nfs/dbraw/zinc/89/76/40/352897640.db2.gz WKMZPVSXSYSIOG-JQWIXIFHSA-N 0 3 283.332 -0.212 20 5 CBBDHN CC(C)[C@@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000292531804 198322617 /nfs/dbraw/zinc/32/26/17/198322617.db2.gz RGKVJIUYUFWUCH-SECBINFHSA-N 0 3 255.278 -0.109 20 5 CBBDHN C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000358056212 353622627 /nfs/dbraw/zinc/62/26/27/353622627.db2.gz ZWVNSVALGUWFPQ-LLVKDONJSA-N 0 3 268.273 -0.281 20 5 CBBDHN C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000358056212 353622630 /nfs/dbraw/zinc/62/26/30/353622630.db2.gz ZWVNSVALGUWFPQ-LLVKDONJSA-N 0 3 268.273 -0.281 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000358080969 353625538 /nfs/dbraw/zinc/62/55/38/353625538.db2.gz QSKLAPISBDDRLF-GFCCVEGCSA-N 0 3 295.299 -0.632 20 5 CBBDHN CN1CC[C@](O)(CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000358324664 353638303 /nfs/dbraw/zinc/63/83/03/353638303.db2.gz UUEDIVCJUNDTAM-JTQLQIEISA-N 0 3 253.262 -0.137 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000358486688 353647634 /nfs/dbraw/zinc/64/76/34/353647634.db2.gz UYYYELJUJGXTAO-GFCCVEGCSA-N 0 3 295.299 -0.400 20 5 CBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN2CCC1CC2 ZINC000408278557 353886231 /nfs/dbraw/zinc/88/62/31/353886231.db2.gz XDZPIEDSSKXQHH-UHFFFAOYSA-N 0 3 280.288 -0.507 20 5 CBBDHN CC[C@@]1(O)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495194073 354499525 /nfs/dbraw/zinc/49/95/25/354499525.db2.gz NNGSRXUOCYYIJJ-VXGBXAGGSA-N 0 3 284.316 -0.001 20 5 CBBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1COC[C@H]1O ZINC000563137187 354698356 /nfs/dbraw/zinc/69/83/56/354698356.db2.gz ASSBVRXVFYNERZ-HOSYDEDBSA-N 0 3 298.295 -0.316 20 5 CBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CNCCC1(F)F ZINC000573372576 354911305 /nfs/dbraw/zinc/91/13/05/354911305.db2.gz SKIDVBJCAZTFIF-QMMMGPOBSA-N 0 3 289.242 -0.095 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000590005471 355072313 /nfs/dbraw/zinc/07/23/13/355072313.db2.gz ZGSLXJNKZGVLBZ-URLYPYJESA-N 0 3 252.274 -0.039 20 5 CBBDHN CN1C[C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@H]2C1 ZINC000590444954 355080909 /nfs/dbraw/zinc/08/09/09/355080909.db2.gz OJFQGWXGKHSYFP-ZJUUUORDSA-N 0 3 279.300 -0.046 20 5 CBBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)nc1 ZINC000595112124 355271332 /nfs/dbraw/zinc/27/13/32/355271332.db2.gz SSZRLLZWPWGPDJ-MBTKJCJQSA-N 0 3 284.297 -0.514 20 5 CBBDHN N[C@@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])s3)CCN2C1=O ZINC000594694784 355258062 /nfs/dbraw/zinc/25/80/62/355258062.db2.gz SZNCBGQSPKCJBP-NKWVEPMBSA-N 0 3 283.313 -0.201 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC3(COC3)C2)c1 ZINC000595832159 355310830 /nfs/dbraw/zinc/31/08/30/355310830.db2.gz CRCAHUKYZIBYRK-LLVKDONJSA-N 0 3 282.300 -0.126 20 5 CBBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN(C)C)n1 ZINC000597655571 355404623 /nfs/dbraw/zinc/40/46/23/355404623.db2.gz YPZBUPOGESUKJE-QMMMGPOBSA-N 0 3 285.304 -0.537 20 5 CBBDHN CCCN1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000598343069 355438648 /nfs/dbraw/zinc/43/86/48/355438648.db2.gz RYZMGYWAGITRNU-VIFPVBQESA-N 0 3 282.304 -0.213 20 5 CBBDHN CC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)N1 ZINC000598536797 355444593 /nfs/dbraw/zinc/44/45/93/355444593.db2.gz XHKZFDGLPCKCAH-DTWKUNHWSA-N 0 3 282.304 -0.215 20 5 CBBDHN C[C@H]1NCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000262704936 190061145 /nfs/dbraw/zinc/06/11/45/190061145.db2.gz BJMCSOPRDMHVDQ-NXEZZACHSA-N 0 3 294.311 -0.035 20 5 CBBDHN CN(C)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000263994016 190087945 /nfs/dbraw/zinc/08/79/45/190087945.db2.gz HOQUSRUPKAEXMX-SNVBAGLBSA-N 0 3 294.311 -0.081 20 5 CBBDHN COCCN1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000264558006 190118404 /nfs/dbraw/zinc/11/84/04/190118404.db2.gz QEXMIKQXHSRSIR-SNVBAGLBSA-N 0 3 297.315 -0.372 20 5 CBBDHN COC(=O)[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266515205 190263367 /nfs/dbraw/zinc/26/33/67/190263367.db2.gz YRTIZBCRZFMQFT-GXSJLCMTSA-N 0 3 298.299 -0.353 20 5 CBBDHN COCCN(CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266526954 190264181 /nfs/dbraw/zinc/26/41/81/190264181.db2.gz KRSXHSKWYJXETH-NSHDSACASA-N 0 3 288.304 -0.907 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN(CCO)CCCO)c1 ZINC000266935158 190291867 /nfs/dbraw/zinc/29/18/67/190291867.db2.gz NWWAMPBFKCQMAL-UHFFFAOYSA-N 0 3 258.278 -0.532 20 5 CBBDHN CC[C@@](C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000133428861 207376906 /nfs/dbraw/zinc/37/69/06/207376906.db2.gz SYSNYXRTHUZPPT-GXSJLCMTSA-N 0 3 285.304 -0.604 20 5 CBBDHN CN1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438796718 208312876 /nfs/dbraw/zinc/31/28/76/208312876.db2.gz XHAHHXKNSSGKJJ-LBPRGKRZSA-N 0 3 283.332 -0.210 20 5 CBBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)CCCO ZINC000090548690 285221231 /nfs/dbraw/zinc/22/12/31/285221231.db2.gz GVNZTYRVWGSZGM-UHFFFAOYSA-N 0 3 285.300 -0.567 20 5 CBBDHN CNC(=O)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000183686678 419512304 /nfs/dbraw/zinc/51/23/04/419512304.db2.gz KGVFWDYCDZITGR-MNOVXSKESA-N 0 3 299.331 -0.488 20 5 CBBDHN CCN1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000391568003 420206687 /nfs/dbraw/zinc/20/66/87/420206687.db2.gz BYGOBVWWGMJEMN-MWLCHTKSSA-N 0 3 297.315 -0.637 20 5 CBBDHN CN(C)CCOCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000572972946 420458233 /nfs/dbraw/zinc/45/82/33/420458233.db2.gz IFYBFNDRSXBHND-UHFFFAOYSA-N 0 3 297.315 -0.120 20 5 CBBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[C@H](O)CN1 ZINC000577222476 420463591 /nfs/dbraw/zinc/46/35/91/420463591.db2.gz MEWPHXHFKZHFPC-OIBJUYFYSA-N 0 3 291.267 0.132 20 5 CBBDHN CNc1nccc(C(=O)N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000597654495 420489735 /nfs/dbraw/zinc/48/97/35/420489735.db2.gz RSRKLIURJFFCMU-QMMMGPOBSA-N 0 3 297.315 -0.316 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1O ZINC000558434691 327094858 /nfs/dbraw/zinc/09/48/58/327094858.db2.gz ZOXXRMGXHYSBCV-QWRGUYRKSA-N 0 3 294.311 -0.076 20 5 CBBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC(CO)CO)c1 ZINC000578651857 327348326 /nfs/dbraw/zinc/34/83/26/327348326.db2.gz MDGMBNLMVCSAJN-LLVKDONJSA-N 0 3 286.284 -0.723 20 5 CBBDHN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC1CNC1 ZINC000562823058 327517074 /nfs/dbraw/zinc/51/70/74/327517074.db2.gz QEGQZDYGPQWMNY-UHFFFAOYSA-N 0 3 278.268 -0.701 20 5 CBBDHN Cc1n[nH]cc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576270973 335180107 /nfs/dbraw/zinc/18/01/07/335180107.db2.gz OBBQSRNQUVDIOO-LLVKDONJSA-N 0 3 280.288 -0.026 20 5 CBBDHN O=C(CCNC[C@H](O)CO)Nc1ccccc1[N+](=O)[O-] ZINC000572556991 334497160 /nfs/dbraw/zinc/49/71/60/334497160.db2.gz DCBRSFUGXMQFQN-VIFPVBQESA-N 0 3 283.284 -0.134 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000579894586 335917553 /nfs/dbraw/zinc/91/75/53/335917553.db2.gz YYGNRJADTHLFQN-UWVGGRQHSA-N 0 3 297.315 -0.767 20 5 CBBDHN Cc1nc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000581380851 336065885 /nfs/dbraw/zinc/06/58/85/336065885.db2.gz HGWCRSKCBLGCBF-DTWKUNHWSA-N 0 3 292.299 -0.559 20 5 CBBDHN CN1CC[C@](O)(CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357451133 536482103 /nfs/dbraw/zinc/48/21/03/536482103.db2.gz FTMUKDCJFXOPSC-LBPRGKRZSA-N 0 3 295.299 -0.433 20 5 CBBDHN CC(COC(=O)[C@@H]1CCCN(C(N)=O)C1)[N+](=O)[O-] ZINC000813105069 582453844 /nfs/dbraw/zinc/45/38/44/582453844.db2.gz VEEPEJJVUGNOEV-JGVFFNPUSA-N 0 3 259.262 -0.015 20 5 CBBDHN CC(COC(=O)c1cn(C)c(=O)[nH]c1=O)[N+](=O)[O-] ZINC000813108441 582453907 /nfs/dbraw/zinc/45/39/07/582453907.db2.gz FXCQCBCWXSARAF-YFKPBYRVSA-N 0 3 257.202 -0.692 20 5 CBBDHN CC(COC(=O)[C@@H]1CCCN1S(C)(=O)=O)[N+](=O)[O-] ZINC000813113123 582453960 /nfs/dbraw/zinc/45/39/60/582453960.db2.gz XLOPPQKUSCSYGO-YUMQZZPRSA-N 0 3 280.302 -0.381 20 5 CBBDHN Nc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000842509816 583184698 /nfs/dbraw/zinc/18/46/98/583184698.db2.gz HUDLMYKOBXPHBI-VIFPVBQESA-N 0 3 280.284 -0.105 20 5 CBBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](CN)C1 ZINC000843357092 583212066 /nfs/dbraw/zinc/21/20/66/583212066.db2.gz CEOHGBWOGSXOQF-JTQLQIEISA-N 0 3 293.327 -0.108 20 5 CBBDHN CC(COC(=O)CC1(n2cnnn2)CCOCC1)[N+](=O)[O-] ZINC000851036060 583510303 /nfs/dbraw/zinc/51/03/03/583510303.db2.gz FCBWHSVJPGOUED-VIFPVBQESA-N 0 3 299.287 -0.223 20 5 CBBDHN NC[C@@H]1CC(C(=O)NCCn2cc([N+](=O)[O-])cn2)=NO1 ZINC000852887966 583569335 /nfs/dbraw/zinc/56/93/35/583569335.db2.gz FNDSRIMKJNVSPW-QMMMGPOBSA-N 0 3 282.260 -0.989 20 5 CBBDHN COC(=O)c1cnn(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000860776044 583754854 /nfs/dbraw/zinc/75/48/54/583754854.db2.gz AWMNEDLTULHPLA-ZETCQYMHSA-N 0 3 271.229 -0.122 20 5 CBBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000874846358 584092996 /nfs/dbraw/zinc/09/29/96/584092996.db2.gz YCOXGBXFKMCFSV-ZJUUUORDSA-N 0 3 294.315 -0.119 20 5 CBBDHN Cc1nn(C)c(NCCN(C)CCO)c1[N+](=O)[O-] ZINC000884823797 584404017 /nfs/dbraw/zinc/40/40/17/584404017.db2.gz FOTXBOUXHRCQLM-UHFFFAOYSA-N 0 3 257.294 -0.027 20 5 CBBDHN CN1CC[C@@](O)(CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000893186784 584636493 /nfs/dbraw/zinc/63/64/93/584636493.db2.gz FCBRFNPWAPTIEK-SNVBAGLBSA-N 0 3 255.278 -0.193 20 5 CBBDHN C[C@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000928447579 659023012 /nfs/dbraw/zinc/02/30/12/659023012.db2.gz KZNJUUDLIITELC-ONGXEEELSA-N 0 3 294.311 -0.035 20 5 CBBDHN O=c1n(CCCNCC[N+](=O)[O-])nc2n1CCCC2 ZINC000905051155 656335829 /nfs/dbraw/zinc/33/58/29/656335829.db2.gz BTNHGIVUNAASNK-UHFFFAOYSA-N 0 3 269.305 -0.363 20 5 CBBDHN O=C(N[C@H]1C[C@H](NCc2cnon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140087 658017452 /nfs/dbraw/zinc/01/74/52/658017452.db2.gz XQENZXDMOZAJEC-KHUVANEUSA-N 0 3 281.272 -0.528 20 5 CBBDHN NC(=O)[C@@H](O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228681528 790436258 /nfs/dbraw/zinc/43/62/58/790436258.db2.gz IUXRARSVPVCQJO-UWVGGRQHSA-N 0 3 269.257 -0.936 20 5 CBBDHN Cc1nonc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063700 790985757 /nfs/dbraw/zinc/98/57/57/790985757.db2.gz IAVLKOIYBNTMGM-PKIKSRDPSA-N 0 3 295.299 -0.220 20 5 CBBDHN Cn1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001022064130 790986968 /nfs/dbraw/zinc/98/69/68/790986968.db2.gz XKPBBTCOFPWROY-JZSSXWJLSA-N 0 3 294.315 -0.783 20 5 CBBDHN CN(c1nc(Cl)ncc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001156232645 815347190 /nfs/dbraw/zinc/34/71/90/815347190.db2.gz ZCMXJLFFMHFRBE-UHFFFAOYSA-N 0 3 295.708 -0.237 20 5 CBBDHN CN(c1ccc([N+](=O)[O-])c(N)n1)S(=O)(=O)CCN ZINC001156236432 815349593 /nfs/dbraw/zinc/34/95/93/815349593.db2.gz KPWKKCACNZNGTE-UHFFFAOYSA-N 0 3 275.290 -0.703 20 5 CBBDHN COCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835787 811604752 /nfs/dbraw/zinc/60/47/52/811604752.db2.gz PDYYQFOAXLPEDB-GHMZBOCLSA-N 0 3 271.317 -0.168 20 5 CBBDHN CCN(CCO)CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC001116626566 812287094 /nfs/dbraw/zinc/28/70/94/812287094.db2.gz YPESYPIXEOOYLE-UHFFFAOYSA-N 0 3 285.304 -0.628 20 5 CBBDHN NC(=O)C1(NCCn2ccc([N+](=O)[O-])n2)CCOCC1 ZINC001118563529 812577444 /nfs/dbraw/zinc/57/74/44/812577444.db2.gz NERAORZWULGYBQ-UHFFFAOYSA-N 0 3 283.288 -0.585 20 5 CBBDHN CN(c1ncccc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164296693 819904128 /nfs/dbraw/zinc/90/41/28/819904128.db2.gz LIIIIACYEZLIOG-UHFFFAOYSA-N 0 3 260.275 -0.286 20 5 CBBDHN NCCS(=O)(=O)N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966006 820197229 /nfs/dbraw/zinc/19/72/29/820197229.db2.gz FQRQRCXFZPNSGW-JGVFFNPUSA-N 0 3 251.308 -0.690 20 5 CBBDHN C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170567529 820308795 /nfs/dbraw/zinc/30/87/95/820308795.db2.gz DVVGLSVRCQWLSX-VXNVDRBHSA-N 0 3 295.299 -0.123 20 5 CBBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001176532621 820450640 /nfs/dbraw/zinc/45/06/40/820450640.db2.gz BQOBALCPEXQKIZ-DTWKUNHWSA-N 0 3 295.299 -0.401 20 5 CBBDHN CN(CCO)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001187593719 822282657 /nfs/dbraw/zinc/28/26/57/822282657.db2.gz PIAJKZHBYPUPAW-UHFFFAOYSA-N 0 3 283.288 -0.575 20 5 CBBDHN CC(C)CN1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001282510747 828451236 /nfs/dbraw/zinc/45/12/36/828451236.db2.gz FHCWAEKSBYBSLD-GHMZBOCLSA-N 0 3 285.344 -0.139 20 5 CBBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC(CO)(CO)CO ZINC001254538185 825966483 /nfs/dbraw/zinc/96/64/83/825966483.db2.gz QWSBHFIGDJBJGZ-JTQLQIEISA-N 0 3 284.312 -0.169 20 5 CBBDHN CN1CCN(CCCn2cnc([N+](=O)[O-])n2)CC1 ZINC001337467898 889014500 /nfs/dbraw/zinc/01/45/00/889014500.db2.gz QCSJYVNLGYXOAA-UHFFFAOYSA-N 0 3 254.294 -0.176 20 5 CBBDHN CO[C@@H]1COC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC001460209725 914768337 /nfs/dbraw/zinc/76/83/37/914768337.db2.gz UXCFNCPZJAPKKU-WDEREUQCSA-N 0 3 283.284 -0.240 20 5 CBBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NC ZINC001493289794 919519123 /nfs/dbraw/zinc/51/91/23/919519123.db2.gz AJLBGLIAIKZLOJ-NXEZZACHSA-N 0 3 286.332 -0.774 20 5 CBBDHN C[C@H](O)CN(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000351936888 219255998 /nfs/dbraw/zinc/25/59/98/219255998.db2.gz MWCBIPFMQDILCL-VIFPVBQESA-N 0 3 258.278 -0.534 20 5 CBBDHN C[C@@H](O)CN(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000351939901 219257712 /nfs/dbraw/zinc/25/77/12/219257712.db2.gz XQZRSNRPWBOMDF-SECBINFHSA-N 0 3 258.278 -0.534 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](O)CC2)c1 ZINC000339782177 215338387 /nfs/dbraw/zinc/33/83/87/215338387.db2.gz WXKGXNOSZBQAGF-RYUDHWBXSA-N 0 3 284.316 -0.001 20 5 CBBDHN CNCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040835090 351421434 /nfs/dbraw/zinc/42/14/34/351421434.db2.gz GQDDXHGWULPRFP-UHFFFAOYSA-N 0 3 279.300 -0.142 20 5 CBBDHN COCCN(C)CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055341538 351543304 /nfs/dbraw/zinc/54/33/04/351543304.db2.gz GLFUGDVYTJOUSL-UHFFFAOYSA-N 0 3 299.331 -0.124 20 5 CBBDHN CC(C)CN(CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075624269 351668374 /nfs/dbraw/zinc/66/83/74/351668374.db2.gz QPKAMBIYBOAGIQ-NSHDSACASA-N 0 3 299.331 -0.405 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2CO)c1 ZINC000075716052 351670417 /nfs/dbraw/zinc/67/04/17/351670417.db2.gz XSIBUVVPAZYNGT-MWLCHTKSSA-N 0 3 270.289 -0.391 20 5 CBBDHN CN(CCn1cccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075722014 351671054 /nfs/dbraw/zinc/67/10/54/351671054.db2.gz KBQSDJNKQWLULL-LBPRGKRZSA-N 0 3 294.315 -0.019 20 5 CBBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NC2CNC2)c1 ZINC000090289347 351741403 /nfs/dbraw/zinc/74/14/03/351741403.db2.gz WMWAMDFYOSKCQP-UHFFFAOYSA-N 0 3 257.271 -0.155 20 5 CBBDHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000093333011 351759384 /nfs/dbraw/zinc/75/93/84/351759384.db2.gz PHAHWUNPXZMYNF-USWWRNFRSA-N 0 3 284.316 -0.145 20 5 CBBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](CN)C1 ZINC000122584574 351852586 /nfs/dbraw/zinc/85/25/86/351852586.db2.gz JHMFFUWMRHHEBO-QMMMGPOBSA-N 0 3 268.273 -0.097 20 5 CBBDHN Cn1c(C(=O)N2CCN(C)C[C@@H]2CN)ccc1[N+](=O)[O-] ZINC000124292287 351855566 /nfs/dbraw/zinc/85/55/66/351855566.db2.gz WUPMWRWTDSUVJH-VIFPVBQESA-N 0 3 281.316 -0.352 20 5 CBBDHN CN(C)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000133909800 351903775 /nfs/dbraw/zinc/90/37/75/351903775.db2.gz PAMKEYUKJJFFIG-UHFFFAOYSA-N 0 3 270.293 -0.348 20 5 CBBDHN COCCN(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176250744 352064622 /nfs/dbraw/zinc/06/46/22/352064622.db2.gz WYPLFVXGPVJLRU-UHFFFAOYSA-N 0 3 258.278 -0.268 20 5 CBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1CCCC1 ZINC000172126664 352021513 /nfs/dbraw/zinc/02/15/13/352021513.db2.gz NXKYKPKWEOFYLB-UHFFFAOYSA-N 0 3 294.311 -0.032 20 5 CBBDHN COCCCN(C)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172669033 352028469 /nfs/dbraw/zinc/02/84/69/352028469.db2.gz JGOCVXUDHLVTHW-UHFFFAOYSA-N 0 3 299.331 -0.124 20 5 CBBDHN Cc1c(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000226382641 352252026 /nfs/dbraw/zinc/25/20/26/352252026.db2.gz LEIVTMZGWVGGTD-GFCCVEGCSA-N 0 3 294.315 -0.016 20 5 CBBDHN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)CN1 ZINC000237442351 352305313 /nfs/dbraw/zinc/30/53/13/352305313.db2.gz ACUVQDZZCZTGAN-NXEZZACHSA-N 0 3 294.311 -0.035 20 5 CBBDHN C[C@@]1(O)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248342720 352350162 /nfs/dbraw/zinc/35/01/62/352350162.db2.gz JSRDGCSYONGVEG-GHMZBOCLSA-N 0 3 270.289 -0.391 20 5 CBBDHN C[C@H](CO)N(CCn1ccc([N+](=O)[O-])n1)C[C@H](C)O ZINC000248957760 352358884 /nfs/dbraw/zinc/35/88/84/352358884.db2.gz QMSURNZKPXZMGW-ZJUUUORDSA-N 0 3 272.305 -0.145 20 5 CBBDHN C[C@@H](CN(C)C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000287353941 352655131 /nfs/dbraw/zinc/65/51/31/352655131.db2.gz ZXBDWHCJTLLIEU-VIFPVBQESA-N 0 3 282.300 -0.177 20 5 CBBDHN CO[C@H]1COC[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000290080621 352672662 /nfs/dbraw/zinc/67/26/62/352672662.db2.gz GYQAHKNLBPSKFS-IUCAKERBSA-N 0 3 256.262 -0.205 20 5 CBBDHN CN1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299638484 352727134 /nfs/dbraw/zinc/72/71/34/352727134.db2.gz PORPISRRUKGEKZ-JTQLQIEISA-N 0 3 294.311 -0.033 20 5 CBBDHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000312722059 352776008 /nfs/dbraw/zinc/77/60/08/352776008.db2.gz IOTBAUZUTCFUJE-LLVKDONJSA-N 0 3 285.300 -0.304 20 5 CBBDHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000305764402 352750515 /nfs/dbraw/zinc/75/05/15/352750515.db2.gz PHAHWUNPXZMYNF-YUSALJHKSA-N 0 3 284.316 -0.145 20 5 CBBDHN CN(C)C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCO1 ZINC000330554248 352846781 /nfs/dbraw/zinc/84/67/81/352846781.db2.gz DERGVNAMQLBHQR-SECBINFHSA-N 0 3 297.315 -0.269 20 5 CBBDHN CN(C)[C@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1O ZINC000292475586 198301650 /nfs/dbraw/zinc/30/16/50/198301650.db2.gz ZAYUXFYNMQGDEP-YUMQZZPRSA-N 0 3 255.278 -0.561 20 5 CBBDHN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CN2CCC1CC2 ZINC000347956989 353401911 /nfs/dbraw/zinc/40/19/11/353401911.db2.gz UMEJMDZMYCQPTK-SNVBAGLBSA-N 0 3 294.315 -0.261 20 5 CBBDHN CN1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000358358569 353639988 /nfs/dbraw/zinc/63/99/88/353639988.db2.gz UHJUZSODBCQPQA-GFCCVEGCSA-N 0 3 295.299 -0.433 20 5 CBBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2OCCN[C@H]2C1 ZINC000572167428 354888021 /nfs/dbraw/zinc/88/80/21/354888021.db2.gz FKQVVJJNULWEMU-ONGXEEELSA-N 0 3 281.316 -0.109 20 5 CBBDHN CN1CC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000584816754 355039356 /nfs/dbraw/zinc/03/93/56/355039356.db2.gz YJLRVODXDOGKTB-SSDOTTSWSA-N 0 3 253.262 -0.001 20 5 CBBDHN Cc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n(C)n1 ZINC000583560377 355020483 /nfs/dbraw/zinc/02/04/83/355020483.db2.gz INJBNQPMJKPDBQ-GFCCVEGCSA-N 0 3 294.315 -0.016 20 5 CBBDHN CN1C[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000590044102 355073828 /nfs/dbraw/zinc/07/38/28/355073828.db2.gz GYCRAVMTCBZOMU-KOLCDFICSA-N 0 3 279.300 -0.046 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000590369427 355076207 /nfs/dbraw/zinc/07/62/07/355076207.db2.gz GHODHUCSHZUOOP-MRVPVSSYSA-N 0 3 270.289 -0.414 20 5 CBBDHN Cc1n[nH]c(C(=O)N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000588865187 355061995 /nfs/dbraw/zinc/06/19/95/355061995.db2.gz YJOMTDDQRPNXAM-ZETCQYMHSA-N 0 3 271.277 -0.721 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000588863773 355062198 /nfs/dbraw/zinc/06/21/98/355062198.db2.gz KQXACLGOBMCGOR-MRVPVSSYSA-N 0 3 282.300 -0.171 20 5 CBBDHN C[C@@H]1CC[C@@H](O)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592201762 355140041 /nfs/dbraw/zinc/14/00/41/355140041.db2.gz GUZLEQVTWZYVGV-YUSALJHKSA-N 0 3 284.316 -0.003 20 5 CBBDHN NC[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(F)(F)F ZINC000594451373 355248761 /nfs/dbraw/zinc/24/87/61/355248761.db2.gz SNTWWUWUYBFLJV-BYPYZUCNSA-N 0 3 267.167 -0.063 20 5 CBBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCNCC2)nc1 ZINC000595104539 355271707 /nfs/dbraw/zinc/27/17/07/355271707.db2.gz IUWLPYFCQYVPBX-UHFFFAOYSA-N 0 3 286.313 -0.026 20 5 CBBDHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595119075 355272293 /nfs/dbraw/zinc/27/22/93/355272293.db2.gz LIPVATCTFXSUBU-SSDOTTSWSA-N 0 3 274.302 -0.124 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC3(COC3)C2)c1 ZINC000595832163 355310898 /nfs/dbraw/zinc/31/08/98/355310898.db2.gz CRCAHUKYZIBYRK-NSHDSACASA-N 0 3 282.300 -0.126 20 5 CBBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[C@H]1F ZINC000595946250 355324090 /nfs/dbraw/zinc/32/40/90/355324090.db2.gz COZGMNASFHMCBR-PHDIDXHHSA-N 0 3 257.225 -0.171 20 5 CBBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595949645 355325978 /nfs/dbraw/zinc/32/59/78/355325978.db2.gz YEJRLIKGZKIKSL-RNFRBKRXSA-N 0 3 271.252 -0.160 20 5 CBBDHN CN(C)CCN(CC(=O)N(C)C)c1ncc([N+](=O)[O-])cn1 ZINC000596462698 355357841 /nfs/dbraw/zinc/35/78/41/355357841.db2.gz NWCMQJPVAPMYAY-UHFFFAOYSA-N 0 3 296.331 -0.159 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597654216 355403403 /nfs/dbraw/zinc/40/34/03/355403403.db2.gz PSCQSZJBWZLISZ-SSDOTTSWSA-N 0 3 256.262 -0.425 20 5 CBBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644662 355506267 /nfs/dbraw/zinc/50/62/67/355506267.db2.gz LWOJYQXNHWFUQT-JGZJWPJOSA-N 0 3 294.311 -0.048 20 5 CBBDHN C[C@H](CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914412 355456111 /nfs/dbraw/zinc/45/61/11/355456111.db2.gz CNJSNLFABHRCHB-SSDOTTSWSA-N 0 3 266.257 -0.003 20 5 CBBDHN C[C@@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CN1C1CC1 ZINC000610654051 355784187 /nfs/dbraw/zinc/78/41/87/355784187.db2.gz FROMOJQYFFCYCV-RKDXNWHRSA-N 0 3 294.315 -0.072 20 5 CBBDHN CN(C)CC1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CCC1 ZINC000341955638 216166552 /nfs/dbraw/zinc/16/65/52/216166552.db2.gz YTKDTONNBDIIHW-UHFFFAOYSA-N 0 3 282.304 -0.213 20 5 CBBDHN CN(C)C[C@@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330923218 203393075 /nfs/dbraw/zinc/39/30/75/203393075.db2.gz CNLOORSKKUUHLG-VIFPVBQESA-N 0 3 282.304 -0.261 20 5 CBBDHN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000552077722 374259727 /nfs/dbraw/zinc/25/97/27/374259727.db2.gz VLUTWRHHFDUUAV-ZETCQYMHSA-N 0 3 298.303 -0.886 20 5 CBBDHN Cc1nn(C)c(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000577887147 374344760 /nfs/dbraw/zinc/34/47/60/374344760.db2.gz GKIIIQGYLOHIGA-IUCAKERBSA-N 0 3 294.315 -0.615 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN2[C@H](CO)CC[C@H]2CO)c1 ZINC000347325960 218192446 /nfs/dbraw/zinc/19/24/46/218192446.db2.gz ZWUBESRXISWXRO-UWVGGRQHSA-N 0 3 270.289 -0.391 20 5 CBBDHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266527522 190264450 /nfs/dbraw/zinc/26/44/50/190264450.db2.gz DNZQKZJHWMTKFK-JTQLQIEISA-N 0 3 258.278 -0.270 20 5 CBBDHN COCCN(CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266526952 190264005 /nfs/dbraw/zinc/26/40/05/190264005.db2.gz KRSXHSKWYJXETH-LLVKDONJSA-N 0 3 288.304 -0.907 20 5 CBBDHN CC[C@@](C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000133429283 207377095 /nfs/dbraw/zinc/37/70/95/207377095.db2.gz SYSNYXRTHUZPPT-MWLCHTKSSA-N 0 3 285.304 -0.604 20 5 CBBDHN C[C@H]1NCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1C ZINC000434672739 208263964 /nfs/dbraw/zinc/26/39/64/208263964.db2.gz ZLVFBTOWZHVGEA-HTQZYQBOSA-N 0 3 268.277 -0.605 20 5 CBBDHN CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O ZINC000440964160 208347913 /nfs/dbraw/zinc/34/79/13/208347913.db2.gz NLPBFMHJEJIQKK-GHMZBOCLSA-N 0 3 297.315 -0.637 20 5 CBBDHN CSCC[C@@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000353768020 220319385 /nfs/dbraw/zinc/31/93/85/220319385.db2.gz ORNYQACVXIWCKQ-SECBINFHSA-N 0 3 287.345 -0.012 20 5 CBBDHN CN(C)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000574820588 335050366 /nfs/dbraw/zinc/05/03/66/335050366.db2.gz ORXBYWLVFTWDNN-UWVGGRQHSA-N 0 3 269.305 -0.602 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CO)[C@@H]2CCCO2)c1 ZINC000447901821 285189934 /nfs/dbraw/zinc/18/99/34/285189934.db2.gz CWXKKFBJSDQPMO-QWRGUYRKSA-N 0 3 270.289 -0.079 20 5 CBBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285121437 196201231 /nfs/dbraw/zinc/20/12/31/196201231.db2.gz VNXJRXNSZWMFJF-UHFFFAOYSA-N 0 3 296.331 -0.363 20 5 CBBDHN COCCN(C)CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000041967701 419422243 /nfs/dbraw/zinc/42/22/43/419422243.db2.gz XKNMQFGPPQZYNO-UHFFFAOYSA-N 0 3 299.331 -0.124 20 5 CBBDHN Nc1nc(NC[C@@H]2CN3CCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000363571473 420028571 /nfs/dbraw/zinc/02/85/71/420028571.db2.gz NXJCXCVIQKJLHY-RKDXNWHRSA-N 0 3 294.315 -0.336 20 5 CBBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@H](F)CN1 ZINC000368385843 420130969 /nfs/dbraw/zinc/13/09/69/420130969.db2.gz RFJOQFGEWWYSCV-YUMQZZPRSA-N 0 3 271.252 -0.393 20 5 CBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405207341 420226063 /nfs/dbraw/zinc/22/60/63/420226063.db2.gz AZBFAVDPNCXZBC-VHSXEESVSA-N 0 3 295.299 -0.931 20 5 CBBDHN CN(C)C[C@H](CO)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000596244522 420488381 /nfs/dbraw/zinc/48/83/81/420488381.db2.gz RCVPEFQCNHPUNR-ZCFIWIBFSA-N 0 3 256.266 -0.699 20 5 CBBDHN CO[C@@H]1COC[C@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564930293 327158866 /nfs/dbraw/zinc/15/88/66/327158866.db2.gz NUJXGPKCNNQGCL-HBNTYKKESA-N 0 3 286.288 -0.844 20 5 CBBDHN CO[C@@H]1COC[C@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564930290 327159062 /nfs/dbraw/zinc/15/90/62/327159062.db2.gz NUJXGPKCNNQGCL-GMTAPVOTSA-N 0 3 286.288 -0.844 20 5 CBBDHN NC(C(=O)NCCn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000564934288 327162601 /nfs/dbraw/zinc/16/26/01/327162601.db2.gz GNISSVLVFSALFS-ZCFIWIBFSA-N 0 3 281.194 -0.203 20 5 CBBDHN O=C(CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)NCC1CC1 ZINC000393084282 329066759 /nfs/dbraw/zinc/06/67/59/329066759.db2.gz TZTOKIFCRLFFDM-NSHDSACASA-N 0 3 297.315 -0.732 20 5 CBBDHN O=C(COC1CNC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000582726851 329131692 /nfs/dbraw/zinc/13/16/92/329131692.db2.gz MVJLESWZFIDYLS-UHFFFAOYSA-N 0 3 292.295 -0.137 20 5 CBBDHN O=C(C[C@H]1CNCCO1)NCCn1cc([N+](=O)[O-])cn1 ZINC000572400801 330060643 /nfs/dbraw/zinc/06/06/43/330060643.db2.gz AYENEJGIHAMQCF-JTQLQIEISA-N 0 3 283.288 -0.714 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1O ZINC000566452431 334649735 /nfs/dbraw/zinc/64/97/35/334649735.db2.gz HJMMCFUOPQQXLJ-IUCAKERBSA-N 0 3 283.288 -0.925 20 5 CBBDHN Cc1nn(C)c(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000577887148 335417355 /nfs/dbraw/zinc/41/73/55/335417355.db2.gz GKIIIQGYLOHIGA-RKDXNWHRSA-N 0 3 294.315 -0.615 20 5 CBBDHN C[C@](O)(CO)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134758069 582125130 /nfs/dbraw/zinc/12/51/30/582125130.db2.gz JPBODPDVMUNRBI-VXGBXAGGSA-N 0 3 270.285 -0.039 20 5 CBBDHN CC(C)[C@@H](CN(C)C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000733167008 582161864 /nfs/dbraw/zinc/16/18/64/582161864.db2.gz LVOKPXIKLMFBMT-SECBINFHSA-N 0 3 284.320 -0.111 20 5 CBBDHN NC(=O)[C@@]1(O)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794569946 582405985 /nfs/dbraw/zinc/40/59/85/582405985.db2.gz ZDNDDZMSWTZWSK-WCQYABFASA-N 0 3 295.295 -0.450 20 5 CBBDHN NC(=O)[C@@]1(O)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794569945 582406021 /nfs/dbraw/zinc/40/60/21/582406021.db2.gz ZDNDDZMSWTZWSK-DGCLKSJQSA-N 0 3 295.295 -0.450 20 5 CBBDHN CC(COC(=O)C1CCC2(CC1)NC(=O)NC2=O)[N+](=O)[O-] ZINC000813103051 582453866 /nfs/dbraw/zinc/45/38/66/582453866.db2.gz MKDMZIHNWILANP-OQNPIJIBSA-N 0 3 299.283 -0.037 20 5 CBBDHN CC(COC(=O)c1cn(CC(=O)N(C)C)nn1)[N+](=O)[O-] ZINC000813103416 582453880 /nfs/dbraw/zinc/45/38/80/582453880.db2.gz QCKKRJHXPFJTHO-ZETCQYMHSA-N 0 3 285.260 -0.812 20 5 CBBDHN CC(COC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[N+](=O)[O-] ZINC000813114049 582453945 /nfs/dbraw/zinc/45/39/45/582453945.db2.gz YAPVNDNNFAOJGB-MADCSZMMSA-N 0 3 299.283 -0.085 20 5 CBBDHN CC(COC(=O)Cn1cnc2c(cnn2C)c1=O)[N+](=O)[O-] ZINC000813113611 582453951 /nfs/dbraw/zinc/45/39/51/582453951.db2.gz HBWVDQOYJRAVAC-SSDOTTSWSA-N 0 3 295.255 -0.662 20 5 CBBDHN CC(COC(=O)Cn1nnc2ccccc2c1=O)[N+](=O)[O-] ZINC000813113587 582453957 /nfs/dbraw/zinc/45/39/57/582453957.db2.gz GRUHQXQYZWGAHR-MRVPVSSYSA-N 0 3 292.251 0.000 20 5 CBBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CNCCO1 ZINC000818011690 582498128 /nfs/dbraw/zinc/49/81/28/582498128.db2.gz LXBWOCPYKAKGFQ-SECBINFHSA-N 0 3 280.284 -0.105 20 5 CBBDHN C[C@@H](O)[C@@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843062549 583199051 /nfs/dbraw/zinc/19/90/51/583199051.db2.gz PSICPGRAZMAHIK-FXAINCCUSA-N 0 3 270.285 -0.041 20 5 CBBDHN CC(COC(=O)CN1CC(=O)N(C)C1=O)[N+](=O)[O-] ZINC000860777054 583754816 /nfs/dbraw/zinc/75/48/16/583754816.db2.gz JVMXUPAHBQPCEM-ZCFIWIBFSA-N 0 3 259.218 -0.911 20 5 CBBDHN CNC(=O)CN1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001005379331 656899896 /nfs/dbraw/zinc/89/98/96/656899896.db2.gz RVZSBHRCWAASOC-GHMZBOCLSA-N 0 3 298.343 -0.680 20 5 CBBDHN O=[N+]([O-])CCN1CCC(O)(CN2CCOCC2)CC1 ZINC000930165778 659231210 /nfs/dbraw/zinc/23/12/10/659231210.db2.gz AKJMEKRQCHLJGP-UHFFFAOYSA-N 0 3 273.333 -0.578 20 5 CBBDHN NC(=O)[C@H](O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228681511 790436479 /nfs/dbraw/zinc/43/64/79/790436479.db2.gz IUXRARSVPVCQJO-NXEZZACHSA-N 0 3 269.257 -0.936 20 5 CBBDHN Cn1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001022064187 790987024 /nfs/dbraw/zinc/98/70/24/790987024.db2.gz ZUMBMCCIYLPALD-JZSSXWJLSA-N 0 3 294.315 -0.783 20 5 CBBDHN Cn1cnnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063732 790987096 /nfs/dbraw/zinc/98/70/96/790987096.db2.gz JTZFROUGVMXKCD-UTINFBMNSA-N 0 3 294.315 -0.783 20 5 CBBDHN C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N(C)C ZINC001118714704 812608873 /nfs/dbraw/zinc/60/88/73/812608873.db2.gz RWZRLTMKUZWRLT-VIFPVBQESA-N 0 3 282.300 -0.177 20 5 CBBDHN COCc1nc2n(n1)C[C@H](NCC[N+](=O)[O-])CC2 ZINC001120274040 812946001 /nfs/dbraw/zinc/94/60/01/812946001.db2.gz XLSLFJQRXCOFRV-MRVPVSSYSA-N 0 3 255.278 -0.394 20 5 CBBDHN NC(=O)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125079572 813514663 /nfs/dbraw/zinc/51/46/63/813514663.db2.gz ADWVIXPZGFCLOD-UHFFFAOYSA-N 0 3 280.284 -0.324 20 5 CBBDHN Cc1nnsc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936264 813697543 /nfs/dbraw/zinc/69/75/43/813697543.db2.gz DGCNKOJGTSGTJT-HTQZYQBOSA-N 0 3 285.329 -0.282 20 5 CBBDHN NCc1cn(-c2ncc([N+](=O)[O-])cc2C(N)=O)cn1 ZINC001162296572 815812019 /nfs/dbraw/zinc/81/20/19/815812019.db2.gz HPWMJHDBYBILOG-UHFFFAOYSA-N 0 3 262.229 -0.267 20 5 CBBDHN CN1CCC(N(CCO)C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001300045998 816736835 /nfs/dbraw/zinc/73/68/35/816736835.db2.gz AVLREYCVBKKHGB-UHFFFAOYSA-N 0 3 297.315 -0.153 20 5 CBBDHN Cn1ncc([N+](=O)[O-])c1N1CC(N[C@@H]2CCOC2)C1 ZINC001307217560 816799348 /nfs/dbraw/zinc/79/93/48/816799348.db2.gz NKGOGTOGWOLEPJ-MRVPVSSYSA-N 0 3 267.289 -0.105 20 5 CBBDHN NC(=O)COC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001318993664 817156619 /nfs/dbraw/zinc/15/66/19/817156619.db2.gz NBJYYPQIGYNAJI-UHFFFAOYSA-N 0 3 297.315 -0.242 20 5 CBBDHN CN(CCNc1nn(C)cc1[N+](=O)[O-])CCOCCO ZINC001163984298 819876951 /nfs/dbraw/zinc/87/69/51/819876951.db2.gz SKHSTOBPAFCIBW-UHFFFAOYSA-N 0 3 287.320 -0.319 20 5 CBBDHN COc1ccnc(N(C)S(=O)(=O)CCN)c1[N+](=O)[O-] ZINC001164287923 819898859 /nfs/dbraw/zinc/89/88/59/819898859.db2.gz YPHMQVMSJSXQTI-UHFFFAOYSA-N 0 3 290.301 -0.277 20 5 CBBDHN CN(c1ccc([N+](=O)[O-])cn1)S(=O)(=O)CCN ZINC001164289536 819902291 /nfs/dbraw/zinc/90/22/91/819902291.db2.gz YUDNXSDBGUOHND-UHFFFAOYSA-N 0 3 260.275 -0.286 20 5 CBBDHN CN(c1cccnc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164296650 819903106 /nfs/dbraw/zinc/90/31/06/819903106.db2.gz JIARVEHDEMWXIR-UHFFFAOYSA-N 0 3 260.275 -0.286 20 5 CBBDHN NC(=O)[C@H](CO)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169332501 820238278 /nfs/dbraw/zinc/23/82/78/820238278.db2.gz PZBPKZIXBXZCDP-VIFPVBQESA-N 0 3 266.257 -0.544 20 5 CBBDHN COc1cc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001266696529 827054755 /nfs/dbraw/zinc/05/47/55/827054755.db2.gz LODOEBTZMUVGPP-NXEZZACHSA-N 0 3 298.299 -0.104 20 5 CBBDHN C[C@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CN2CCC1CC2 ZINC001278805996 828291535 /nfs/dbraw/zinc/29/15/35/828291535.db2.gz LKHVSTXUULGFPM-LBPRGKRZSA-N 0 3 294.315 -0.213 20 5 CBBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001326936241 885197752 /nfs/dbraw/zinc/19/77/52/885197752.db2.gz GDBHWVPAUTWETD-ZETCQYMHSA-N 0 3 269.261 -0.655 20 5 CBBDHN NC(=O)[C@@H](O)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326236790 884952253 /nfs/dbraw/zinc/95/22/53/884952253.db2.gz NZUHRFVQWGAZKI-ZJUUUORDSA-N 0 3 269.257 -0.936 20 5 CBBDHN NC(=O)[C@H](O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326236789 884954608 /nfs/dbraw/zinc/95/46/08/884954608.db2.gz NZUHRFVQWGAZKI-VHSXEESVSA-N 0 3 269.257 -0.936 20 5 CBBDHN CNC(=O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336702779 888850309 /nfs/dbraw/zinc/85/03/09/888850309.db2.gz FBENNSGBPPSCPW-JTQLQIEISA-N 0 3 283.284 -0.330 20 5 CBBDHN [NH3+]C1(CO)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001347219373 890430362 /nfs/dbraw/zinc/43/03/62/890430362.db2.gz DKOSMCSWBMQSSM-UHFFFAOYSA-N 0 3 268.273 -0.015 20 5 CBBDHN COCC1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001350697236 891026176 /nfs/dbraw/zinc/02/61/76/891026176.db2.gz LUVYIMNDAUWCPK-LLVKDONJSA-N 0 3 270.289 -0.270 20 5 CBBDHN CCN(CCO)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000274483931 352538651 /nfs/dbraw/zinc/53/86/51/352538651.db2.gz ARONVUORCPHAIA-UHFFFAOYSA-N 0 3 285.304 -0.778 20 5 CBBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N(C)C ZINC000049098040 282665349 /nfs/dbraw/zinc/66/53/49/282665349.db2.gz XFIBXYMKNIVVIT-SCZZXKLOSA-N 0 3 285.304 -0.782 20 5 CBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCNCC1 ZINC000043403913 351441602 /nfs/dbraw/zinc/44/16/02/351441602.db2.gz RESWYZOHJZDZKD-UHFFFAOYSA-N 0 3 253.262 -0.387 20 5 CBBDHN NCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040835076 351421385 /nfs/dbraw/zinc/42/13/85/351421385.db2.gz XVKYKOYNMOTVFF-UHFFFAOYSA-N 0 3 265.273 -0.403 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCOCC2)c1 ZINC000075675099 351670129 /nfs/dbraw/zinc/67/01/29/351670129.db2.gz UTHXONVXZYEHDT-NSHDSACASA-N 0 3 270.289 -0.126 20 5 CBBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CNC1 ZINC000090289332 351740200 /nfs/dbraw/zinc/74/02/00/351740200.db2.gz OOZYCUVFFBVTDB-UHFFFAOYSA-N 0 3 287.297 -0.147 20 5 CBBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](CN)C1 ZINC000122626775 351852472 /nfs/dbraw/zinc/85/24/72/351852472.db2.gz GDJKYSXFBVFFFU-MRVPVSSYSA-N 0 3 267.289 -0.362 20 5 CBBDHN C[C@@]1(O)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000124082613 187121529 /nfs/dbraw/zinc/12/15/29/187121529.db2.gz ICPORKCTRWXGMI-NWDGAFQWSA-N 0 3 284.316 -0.001 20 5 CBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H](F)CN1 ZINC000188960554 352162535 /nfs/dbraw/zinc/16/25/35/352162535.db2.gz MYQJHCKHNDYUIQ-IONNQARKSA-N 0 3 271.252 -0.393 20 5 CBBDHN CN(C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000194336763 352213639 /nfs/dbraw/zinc/21/36/39/352213639.db2.gz ZWLBRAYCPBHSSN-UHFFFAOYSA-N 0 3 255.278 -0.141 20 5 CBBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000228748627 352265455 /nfs/dbraw/zinc/26/54/55/352265455.db2.gz BSWHYYOBMLFVTM-GFCCVEGCSA-N 0 3 284.316 -0.024 20 5 CBBDHN CN(C)C[C@](C)(O)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000228754490 352265486 /nfs/dbraw/zinc/26/54/86/352265486.db2.gz QQKUZKDFJNLSKF-LLVKDONJSA-N 0 3 285.304 -0.780 20 5 CBBDHN C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)CN1 ZINC000237443394 352305294 /nfs/dbraw/zinc/30/52/94/352305294.db2.gz HJLYDTPTBZYAMO-SFYZADRCSA-N 0 3 268.277 -0.605 20 5 CBBDHN C[C@]1(O)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248342721 352351976 /nfs/dbraw/zinc/35/19/76/352351976.db2.gz JSRDGCSYONGVEG-MNOVXSKESA-N 0 3 270.289 -0.391 20 5 CBBDHN C[C@H](CO)N(CCn1cc([N+](=O)[O-])cn1)C[C@H](C)O ZINC000248935426 352358577 /nfs/dbraw/zinc/35/85/77/352358577.db2.gz NDNZQPUZEQHOCY-ZJUUUORDSA-N 0 3 272.305 -0.145 20 5 CBBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000279690726 352585676 /nfs/dbraw/zinc/58/56/76/352585676.db2.gz GBSAQVXVZXYOPY-GHMZBOCLSA-N 0 3 284.316 -0.145 20 5 CBBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N(C)C ZINC000299522273 352725256 /nfs/dbraw/zinc/72/52/56/352725256.db2.gz PLGMEXSZLFHOCA-VIFPVBQESA-N 0 3 282.300 -0.177 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](O)C2)c1 ZINC000330403383 352819938 /nfs/dbraw/zinc/81/99/38/352819938.db2.gz BYJJXERTCMSEHA-NXEZZACHSA-N 0 3 256.262 -0.781 20 5 CBBDHN C[C@@H]1[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCCN1C ZINC000343565592 353278848 /nfs/dbraw/zinc/27/88/48/353278848.db2.gz RUSZWJHHLGXTAD-BDAKNGLRSA-N 0 3 282.304 -0.215 20 5 CBBDHN CN1CCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000353960102 353536650 /nfs/dbraw/zinc/53/66/50/353536650.db2.gz MUQOHMCTLVAPCV-QMMMGPOBSA-N 0 3 268.277 -0.603 20 5 CBBDHN CN1CCC(O)(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000354736265 353581697 /nfs/dbraw/zinc/58/16/97/353581697.db2.gz NZSCOSFIMNXRSH-UHFFFAOYSA-N 0 3 297.315 -0.636 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000358058900 353623488 /nfs/dbraw/zinc/62/34/88/353623488.db2.gz RKVYVEZAYLSMKO-NSHDSACASA-N 0 3 268.273 -0.281 20 5 CBBDHN C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N(C)C ZINC000357858373 353610398 /nfs/dbraw/zinc/61/03/98/353610398.db2.gz AHUJTLOMLQGLAD-SSDOTTSWSA-N 0 3 256.266 -0.747 20 5 CBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN2CCC[C@H]2C1 ZINC000408087474 353846312 /nfs/dbraw/zinc/84/63/12/353846312.db2.gz BBDDRQMZOYJMLF-VIFPVBQESA-N 0 3 280.288 -0.507 20 5 CBBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CO)[C@H]1CCCO1 ZINC000447921118 354308932 /nfs/dbraw/zinc/30/89/32/354308932.db2.gz JLQSDNVIMBPPGB-NWDGAFQWSA-N 0 3 297.311 -0.114 20 5 CBBDHN O=[N+]([O-])c1ccn(CCN[C@H](CO)[C@@H]2CCCO2)n1 ZINC000447921929 354309376 /nfs/dbraw/zinc/30/93/76/354309376.db2.gz NBGJUSNCGNQWIC-ZJUUUORDSA-N 0 3 270.289 -0.079 20 5 CBBDHN O=C(CCN1C[C@@H](O)[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000444695357 354277025 /nfs/dbraw/zinc/27/70/25/354277025.db2.gz MFPUQLIGRFGQCH-VXGBXAGGSA-N 0 3 295.295 -0.039 20 5 CBBDHN CC[C@@]1(O)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495194069 354499384 /nfs/dbraw/zinc/49/93/84/354499384.db2.gz NNGSRXUOCYYIJJ-NWDGAFQWSA-N 0 3 284.316 -0.001 20 5 CBBDHN C[C@@H]1CCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000525291967 354571349 /nfs/dbraw/zinc/57/13/49/354571349.db2.gz VHHGNDDFRPCCBF-SECBINFHSA-N 0 3 282.304 -0.356 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1O ZINC000556976985 354684178 /nfs/dbraw/zinc/68/41/78/354684178.db2.gz FUIZEJLHFCVTPU-UWVGGRQHSA-N 0 3 282.300 -0.320 20 5 CBBDHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000564959816 354723048 /nfs/dbraw/zinc/72/30/48/354723048.db2.gz YUQJNHKYIGGARZ-ZCFIWIBFSA-N 0 3 260.275 -0.385 20 5 CBBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2OCCN[C@H]2C1 ZINC000572167425 354888027 /nfs/dbraw/zinc/88/80/27/354888027.db2.gz FKQVVJJNULWEMU-GXSJLCMTSA-N 0 3 281.316 -0.109 20 5 CBBDHN Cc1n[nH]c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000573631873 354917987 /nfs/dbraw/zinc/91/79/87/354917987.db2.gz DFDAHGBDNNSCDJ-YUMQZZPRSA-N 0 3 283.288 -0.627 20 5 CBBDHN Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000573631873 354917991 /nfs/dbraw/zinc/91/79/91/354917991.db2.gz DFDAHGBDNNSCDJ-YUMQZZPRSA-N 0 3 283.288 -0.627 20 5 CBBDHN N[C@@H]1C[C@H]2CN(c3ncccc3[N+](=O)[O-])CCN2C1=O ZINC000578787362 354955356 /nfs/dbraw/zinc/95/53/56/354955356.db2.gz MHXXJTGEGNADMQ-DTWKUNHWSA-N 0 3 277.284 -0.262 20 5 CBBDHN CN1C[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590445765 355080813 /nfs/dbraw/zinc/08/08/13/355080813.db2.gz RPAWIOGWPCVYJC-RKDXNWHRSA-N 0 3 280.288 -0.651 20 5 CBBDHN O=C(NC[C@H]1CN2CCN1CCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000585682913 355048619 /nfs/dbraw/zinc/04/86/19/355048619.db2.gz XHLNLYHZTSTMFQ-VIFPVBQESA-N 0 3 294.315 -0.562 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000588864313 355061989 /nfs/dbraw/zinc/06/19/89/355061989.db2.gz DGILCUSPXBJRDV-ZETCQYMHSA-N 0 3 257.246 -0.160 20 5 CBBDHN Cc1nn(C)c(N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000589102032 355064763 /nfs/dbraw/zinc/06/47/63/355064763.db2.gz ULOHUNSMKYBAQY-MRVPVSSYSA-N 0 3 257.294 -0.029 20 5 CBBDHN COC(=O)c1cc([N+](=O)[O-])cn(C[C@H]2CNCCO2)c1=O ZINC000594698016 355258531 /nfs/dbraw/zinc/25/85/31/355258531.db2.gz HRKCUCYYJXNSCS-SECBINFHSA-N 0 3 297.267 -0.469 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595757618 355305347 /nfs/dbraw/zinc/30/53/47/355305347.db2.gz NZVOCDSYWWRSQB-ZMLRMANQSA-N 0 3 282.300 -0.391 20 5 CBBDHN N[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[C@H]1F ZINC000595948542 355325183 /nfs/dbraw/zinc/32/51/83/355325183.db2.gz RJTROMISZVDAIC-PHDIDXHHSA-N 0 3 257.225 -0.171 20 5 CBBDHN Nc1ccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nc1[N+](=O)[O-] ZINC000596013652 355338474 /nfs/dbraw/zinc/33/84/74/355338474.db2.gz ITVYQHDBMIGKBY-VXNVDRBHSA-N 0 3 292.299 -0.680 20 5 CBBDHN Nc1c(C(=O)N2CCOC3(CNC3)C2)cccc1[N+](=O)[O-] ZINC000596097869 355344304 /nfs/dbraw/zinc/34/43/04/355344304.db2.gz IENLEQOKFDNHSV-UHFFFAOYSA-N 0 3 292.295 -0.009 20 5 CBBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599940246 355519948 /nfs/dbraw/zinc/51/99/48/355519948.db2.gz NDZACYUSOMZZIC-RKDXNWHRSA-N 0 3 295.299 -0.401 20 5 CBBDHN O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])n[n-]1 ZINC000600807350 355566395 /nfs/dbraw/zinc/56/63/95/355566395.db2.gz BBSARXISUJYFPT-ZETCQYMHSA-N 0 3 269.261 -0.886 20 5 CBBDHN O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])n[n-]1 ZINC000600807350 355566396 /nfs/dbraw/zinc/56/63/96/355566396.db2.gz BBSARXISUJYFPT-ZETCQYMHSA-N 0 3 269.261 -0.886 20 5 CBBDHN CN1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000609257903 355767182 /nfs/dbraw/zinc/76/71/82/355767182.db2.gz RXRLTBNWXDCAMK-MRVPVSSYSA-N 0 3 268.277 -0.603 20 5 CBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCN(C2CC2)C1 ZINC000609345062 355768664 /nfs/dbraw/zinc/76/86/64/355768664.db2.gz SBOIYWPOXIDFOE-MRVPVSSYSA-N 0 3 280.288 -0.461 20 5 CBBDHN CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000330610845 203036641 /nfs/dbraw/zinc/03/66/41/203036641.db2.gz OAGYLXGTNGZBCX-QMMMGPOBSA-N 0 3 283.288 -0.280 20 5 CBBDHN N[C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)CCN2C1=O ZINC000575331433 374338060 /nfs/dbraw/zinc/33/80/60/374338060.db2.gz WHJWSATYOSJZES-ZJUUUORDSA-N 0 3 277.284 -0.262 20 5 CBBDHN COCCNCCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000237276319 248164285 /nfs/dbraw/zinc/16/42/85/248164285.db2.gz YFDXGSNDQVJSGB-UHFFFAOYSA-N 0 3 299.331 -0.158 20 5 CBBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266515208 190263434 /nfs/dbraw/zinc/26/34/34/190263434.db2.gz YRTIZBCRZFMQFT-MWLCHTKSSA-N 0 3 298.299 -0.353 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN2CCc3n[nH]nc3C2)c1 ZINC000429308300 208119758 /nfs/dbraw/zinc/11/97/58/208119758.db2.gz QLTZOENOUBSYTJ-UHFFFAOYSA-N 0 3 263.261 -0.032 20 5 CBBDHN CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O ZINC000440964164 208347826 /nfs/dbraw/zinc/34/78/26/208347826.db2.gz NLPBFMHJEJIQKK-QWRGUYRKSA-N 0 3 297.315 -0.637 20 5 CBBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CO)[C@@H]2CCCO2)n1 ZINC000447921927 285168436 /nfs/dbraw/zinc/16/84/36/285168436.db2.gz NBGJUSNCGNQWIC-UWVGGRQHSA-N 0 3 270.289 -0.079 20 5 CBBDHN COc1ccc(S(=O)(=O)[N-]CC[NH3+])c([N+](=O)[O-])c1 ZINC000020562305 171252429 /nfs/dbraw/zinc/25/24/29/171252429.db2.gz ZMVPILTWENSFQX-UHFFFAOYSA-N 0 3 275.286 -0.160 20 5 CBBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CC1 ZINC000285667056 196359958 /nfs/dbraw/zinc/35/99/58/196359958.db2.gz ZKWFLLDQFRPBMZ-JTQLQIEISA-N 0 3 270.289 -0.391 20 5 CBBDHN C[C@@H](Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)N(C)C ZINC000358865042 419925075 /nfs/dbraw/zinc/92/50/75/419925075.db2.gz YTPNLRQZVJHTNY-ZETCQYMHSA-N 0 3 268.273 -0.195 20 5 CBBDHN C[C@@H](CO)N1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000364957976 420051076 /nfs/dbraw/zinc/05/10/76/420051076.db2.gz XTTKCESFIDAOPW-VIFPVBQESA-N 0 3 296.331 -0.140 20 5 CBBDHN Nc1nc(NC[C@@H]2CCCCN2CCO)ncc1[N+](=O)[O-] ZINC000450615655 420298852 /nfs/dbraw/zinc/29/88/52/420298852.db2.gz OOLHUMMAAGGWRS-VIFPVBQESA-N 0 3 296.331 -0.352 20 5 CBBDHN CN(C)CCn1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000548948876 420424641 /nfs/dbraw/zinc/42/46/41/420424641.db2.gz QYORNEXRHMXKCS-UHFFFAOYSA-N 0 3 293.287 0.328 20 5 CBBDHN C[NH+](C)CCn1ccc(NC(=O)c2c[n-]nc2[N+](=O)[O-])n1 ZINC000548948876 420424645 /nfs/dbraw/zinc/42/46/45/420424645.db2.gz QYORNEXRHMXKCS-UHFFFAOYSA-N 0 3 293.287 0.328 20 5 CBBDHN C[C@H]1CCNC(=O)[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000193661130 262225457 /nfs/dbraw/zinc/22/54/57/262225457.db2.gz FISIAIIDJGUWSL-CABZTGNLSA-N 0 3 294.311 -0.129 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000358061444 277158690 /nfs/dbraw/zinc/15/86/90/277158690.db2.gz GIWFHEIXJADGGN-CYBMUJFWSA-N 0 3 294.311 -0.027 20 5 CBBDHN C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000563732604 328497755 /nfs/dbraw/zinc/49/77/55/328497755.db2.gz MOUDWOZWOFEDCN-SSDOTTSWSA-N 0 3 298.303 -0.886 20 5 CBBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H](O)CO)c1 ZINC000561383138 327390449 /nfs/dbraw/zinc/39/04/49/327390449.db2.gz WXPCMEXYDPEBBB-QWRGUYRKSA-N 0 3 286.284 -0.723 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000569150769 334858266 /nfs/dbraw/zinc/85/82/66/334858266.db2.gz ISOWMEXDERZZPG-QWRGUYRKSA-N 0 3 297.315 -0.685 20 5 CBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CNCCC1(F)F ZINC000577494314 335359215 /nfs/dbraw/zinc/35/92/15/335359215.db2.gz NPTMWVLKZVUASU-ZCFIWIBFSA-N 0 3 290.230 -0.700 20 5 CBBDHN COC(=O)CC1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000581075713 336004754 /nfs/dbraw/zinc/00/47/54/336004754.db2.gz XLCVOEPBKYFXGX-JTQLQIEISA-N 0 3 298.299 -0.163 20 5 CBBDHN Cc1nc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000581380853 336065833 /nfs/dbraw/zinc/06/58/33/336065833.db2.gz HGWCRSKCBLGCBF-RKDXNWHRSA-N 0 3 292.299 -0.559 20 5 CBBDHN COCCNCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000212806555 523939266 /nfs/dbraw/zinc/93/92/66/523939266.db2.gz XAPUSUHXPDQULM-UHFFFAOYSA-N 0 3 256.262 -0.111 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000808174865 582441943 /nfs/dbraw/zinc/44/19/43/582441943.db2.gz VZFGMIONOLOTNQ-MRVPVSSYSA-N 0 3 282.300 -0.171 20 5 CBBDHN COCCN1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813104477 582453860 /nfs/dbraw/zinc/45/38/60/582453860.db2.gz NCWDKEGOMOQHAP-BDAKNGLRSA-N 0 3 274.273 -0.310 20 5 CBBDHN COCCN1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813104481 582453887 /nfs/dbraw/zinc/45/38/87/582453887.db2.gz NCWDKEGOMOQHAP-IUCAKERBSA-N 0 3 274.273 -0.310 20 5 CBBDHN CS(=O)(=O)CCNCCn1cc([N+](=O)[O-])cn1 ZINC000819176740 582528424 /nfs/dbraw/zinc/52/84/24/582528424.db2.gz MWFSPTPWUIMSJX-UHFFFAOYSA-N 0 3 262.291 -0.575 20 5 CBBDHN CNC(=O)[C@H](O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843109840 583201906 /nfs/dbraw/zinc/20/19/06/583201906.db2.gz HFVUUXZECYCNJO-WDEREUQCSA-N 0 3 283.284 -0.675 20 5 CBBDHN CC(COC(=O)c1ccn2nnnc2c1)[N+](=O)[O-] ZINC000851036372 583510734 /nfs/dbraw/zinc/51/07/34/583510734.db2.gz INPMQISVQKZZOB-LURJTMIESA-N 0 3 251.202 -0.054 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854467334 583604406 /nfs/dbraw/zinc/60/44/06/583604406.db2.gz FFXUPLLWXLPPOK-CMPLNLGQSA-N 0 3 297.311 -0.333 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854467336 583604707 /nfs/dbraw/zinc/60/47/07/583604707.db2.gz FFXUPLLWXLPPOK-PWSUYJOCSA-N 0 3 297.311 -0.333 20 5 CBBDHN CNCCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000858610377 583699145 /nfs/dbraw/zinc/69/91/45/583699145.db2.gz CUXBBGUAPIWJOC-UHFFFAOYSA-N 0 3 277.306 -0.832 20 5 CBBDHN CC(COC(=O)Cc1ccc(C(N)=O)nc1)[N+](=O)[O-] ZINC000860776716 583754823 /nfs/dbraw/zinc/75/48/23/583754823.db2.gz HJGXRPKLECPGQR-SSDOTTSWSA-N 0 3 267.241 -0.069 20 5 CBBDHN CN(CCO)CCN(C)c1c([N+](=O)[O-])cnn1C ZINC000894592248 584661319 /nfs/dbraw/zinc/66/13/19/584661319.db2.gz RRLYOOIRJCOKRP-UHFFFAOYSA-N 0 3 257.294 -0.311 20 5 CBBDHN Cn1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001020139325 658017514 /nfs/dbraw/zinc/01/75/14/658017514.db2.gz XKPBBTCOFPWROY-YJFSRANCSA-N 0 3 294.315 -0.783 20 5 CBBDHN O=C(N[C@H]1C[C@H](NCc2ncccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139267 658017578 /nfs/dbraw/zinc/01/75/78/658017578.db2.gz WIBNIKPRJHTQCI-GWOFURMSSA-N 0 3 291.311 -0.121 20 5 CBBDHN NC(=O)[C@H](O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228681539 790435562 /nfs/dbraw/zinc/43/55/62/790435562.db2.gz IUXRARSVPVCQJO-VHSXEESVSA-N 0 3 269.257 -0.936 20 5 CBBDHN O=C(NCCCNCc1ncccn1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767831 815462796 /nfs/dbraw/zinc/46/27/96/815462796.db2.gz WRDKASAUXJAMQG-NXEZZACHSA-N 0 3 279.300 -0.262 20 5 CBBDHN O=C(NCCCNCc1csnn1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767328 815463119 /nfs/dbraw/zinc/46/31/19/815463119.db2.gz LEVFPDYUXZJZHU-RKDXNWHRSA-N 0 3 285.329 -0.201 20 5 CBBDHN CCn1ccc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936988 813696662 /nfs/dbraw/zinc/69/66/62/813696662.db2.gz ZZCJDTCBJREWKE-GHMZBOCLSA-N 0 3 281.316 -0.226 20 5 CBBDHN COc1cc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001126936896 813697306 /nfs/dbraw/zinc/69/73/06/813697306.db2.gz WQLZDAXSHIAMFH-RKDXNWHRSA-N 0 3 284.272 -0.446 20 5 CBBDHN CC(C)c1nnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001126936406 813697379 /nfs/dbraw/zinc/69/73/79/813697379.db2.gz GGYIAVSXIXPOCU-RKDXNWHRSA-N 0 3 296.331 -0.201 20 5 CBBDHN Cn1ncc([N+](=O)[O-])c1N1CC(N[C@H]2CCOC2)C1 ZINC001307217561 816799595 /nfs/dbraw/zinc/79/95/95/816799595.db2.gz NKGOGTOGWOLEPJ-QMMMGPOBSA-N 0 3 267.289 -0.105 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC001320513247 817348054 /nfs/dbraw/zinc/34/80/54/817348054.db2.gz JLWWVOXVBXFBLV-SNVBAGLBSA-N 0 3 269.261 -0.886 20 5 CBBDHN Cn1cc([N+](=O)[O-])c(N2CC(N[C@H]3CCOC3)C2)n1 ZINC001164233850 819893201 /nfs/dbraw/zinc/89/32/01/819893201.db2.gz CGIGGBLETOVEFI-QMMMGPOBSA-N 0 3 267.289 -0.105 20 5 CBBDHN CN(c1nccnc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164287017 819898390 /nfs/dbraw/zinc/89/83/90/819898390.db2.gz HJYWAGLWHBYICH-UHFFFAOYSA-N 0 3 261.263 -0.891 20 5 CBBDHN Cc1c[n+]([O-])c(N(C)S(=O)(=O)CCN)cc1[N+](=O)[O-] ZINC001164287846 819900078 /nfs/dbraw/zinc/90/00/78/819900078.db2.gz XAUYWKGWUIZJBA-UHFFFAOYSA-N 0 3 290.301 -0.739 20 5 CBBDHN NCc1nnnn1-c1ccc2[nH]cnc2c1[N+](=O)[O-] ZINC001168924180 820194825 /nfs/dbraw/zinc/19/48/25/820194825.db2.gz KHGSUPPERGJDEE-UHFFFAOYSA-N 0 3 260.217 -0.095 20 5 CBBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)[C@@H]1CNCCO1 ZINC001170565222 820307319 /nfs/dbraw/zinc/30/73/19/820307319.db2.gz UKCPESCBKXOZME-XCBNKYQSSA-N 0 3 295.299 -0.123 20 5 CBBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)NCC(N)=O ZINC001173230616 820400914 /nfs/dbraw/zinc/40/09/14/820400914.db2.gz SDYCIBGQGKSKBS-SECBINFHSA-N 0 3 294.311 -0.283 20 5 CBBDHN Cc1cnc(=O)[n-]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226326763 825276489 /nfs/dbraw/zinc/27/64/89/825276489.db2.gz OHPOOIKIOQMUHN-SECBINFHSA-O 0 3 270.309 -0.147 20 5 CBBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc([O-])cc(C(N)=O)c1 ZINC001228267990 825313869 /nfs/dbraw/zinc/31/38/69/825313869.db2.gz VVAVYEKQCVXSQM-LLVKDONJSA-O 0 3 297.331 -0.146 20 5 CBBDHN COC(=O)[C@@H]1CNCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246857205 825722691 /nfs/dbraw/zinc/72/26/91/825722691.db2.gz LRQWMLSLTUUOFM-VWYCJHECSA-N 0 3 271.317 -0.121 20 5 CBBDHN CCOC(=O)[C@H]1CNCCN1CCn1cc([N+](=O)[O-])cn1 ZINC001327205286 885283876 /nfs/dbraw/zinc/28/38/76/885283876.db2.gz CGXCJAGOTDXYLY-LLVKDONJSA-N 0 3 297.315 -0.372 20 5 CBBDHN N[C@H](CC(F)F)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001332151331 887132711 /nfs/dbraw/zinc/13/27/11/887132711.db2.gz BABXBZDWBJLWCI-SSDOTTSWSA-N 0 3 277.231 -0.110 20 5 CBBDHN CN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC001455778106 914408016 /nfs/dbraw/zinc/40/80/16/914408016.db2.gz BYOSXZBAUVUPNM-UHFFFAOYSA-N 0 3 257.246 -0.158 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCN(C)CCO ZINC001470572180 915505800 /nfs/dbraw/zinc/50/58/00/915505800.db2.gz UIVGNXUBOYYGEQ-UHFFFAOYSA-N 0 3 299.331 -0.518 20 5 CBBDHN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001544139077 923301387 /nfs/dbraw/zinc/30/13/87/923301387.db2.gz JHNYCYIFKPTNEV-WPRPVWTQSA-N 0 3 296.331 -0.318 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@](C)(O)CN(C)C ZINC000337457348 214092992 /nfs/dbraw/zinc/09/29/92/214092992.db2.gz NQSWPRKNMOUYBC-GFCCVEGCSA-N 0 3 299.331 -0.471 20 5 CBBDHN CCN(C)C(=O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000218121302 282727365 /nfs/dbraw/zinc/72/73/65/282727365.db2.gz FBIYHZPJTDUSHV-SNVBAGLBSA-N 0 3 285.304 -0.780 20 5 CBBDHN CCN(C)C(=O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000218121389 282727414 /nfs/dbraw/zinc/72/74/14/282727414.db2.gz FBIYHZPJTDUSHV-JTQLQIEISA-N 0 3 285.304 -0.780 20 5 CBBDHN C[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040835086 351421328 /nfs/dbraw/zinc/42/13/28/351421328.db2.gz CGMNCMIMVIVJOF-VIFPVBQESA-N 0 3 279.300 -0.014 20 5 CBBDHN Cn1nccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000071333773 351642885 /nfs/dbraw/zinc/64/28/85/351642885.db2.gz FEWPFBQTLIZMTN-NSHDSACASA-N 0 3 280.288 -0.325 20 5 CBBDHN COc1ccc(S(=O)(=O)NC2CNC2)c([N+](=O)[O-])c1 ZINC000090289294 351740044 /nfs/dbraw/zinc/74/00/44/351740044.db2.gz QFDUTGZPBYUKLP-UHFFFAOYSA-N 0 3 287.297 -0.147 20 5 CBBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CNCCO1 ZINC000134252807 351904425 /nfs/dbraw/zinc/90/44/25/351904425.db2.gz CSIBFVWZGBGGMT-VIFPVBQESA-N 0 3 268.273 -0.349 20 5 CBBDHN C[C@@H]1CCNC(=O)[C@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000193570196 352206357 /nfs/dbraw/zinc/20/63/57/352206357.db2.gz PIXGFPIMSZSDMY-SCZZXKLOSA-N 0 3 267.289 -0.095 20 5 CBBDHN CCN(C)C(=O)[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000231849565 352278401 /nfs/dbraw/zinc/27/84/01/352278401.db2.gz HVSMZXRAPYCNQJ-GXSJLCMTSA-N 0 3 299.331 -0.391 20 5 CBBDHN CC(C)[C@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000236752465 352293234 /nfs/dbraw/zinc/29/32/34/352293234.db2.gz RGKVJIUYUFWUCH-VIFPVBQESA-N 0 3 255.278 -0.109 20 5 CBBDHN COCCN(CCN(C)C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270804976 352501619 /nfs/dbraw/zinc/50/16/19/352501619.db2.gz OKVXLTDMMSKDRG-UHFFFAOYSA-N 0 3 285.304 -0.032 20 5 CBBDHN O=C(N[C@@H](CO)CN1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000293554258 352694161 /nfs/dbraw/zinc/69/41/61/352694161.db2.gz HHVVCOCKTVCSDC-SECBINFHSA-N 0 3 297.315 -0.106 20 5 CBBDHN CN1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299638487 352727196 /nfs/dbraw/zinc/72/71/96/352727196.db2.gz PORPISRRUKGEKZ-SNVBAGLBSA-N 0 3 294.311 -0.033 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2COCCOC2)c1 ZINC000313533005 352777464 /nfs/dbraw/zinc/77/74/64/352777464.db2.gz NCERFZVKARVOKT-NSHDSACASA-N 0 3 286.288 -0.843 20 5 CBBDHN CCN1CCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330574785 352850944 /nfs/dbraw/zinc/85/09/44/352850944.db2.gz LJDXSNVRDKOXAP-VIFPVBQESA-N 0 3 282.304 -0.213 20 5 CBBDHN CCN1CCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330574784 352851217 /nfs/dbraw/zinc/85/12/17/352851217.db2.gz LJDXSNVRDKOXAP-SECBINFHSA-N 0 3 282.304 -0.213 20 5 CBBDHN CN(C)[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330539961 352843434 /nfs/dbraw/zinc/84/34/34/352843434.db2.gz ZCEGWAOFPPRPDQ-MRVPVSSYSA-N 0 3 268.277 -0.651 20 5 CBBDHN CN(C)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCC1 ZINC000331517721 352921897 /nfs/dbraw/zinc/92/18/97/352921897.db2.gz QOTAZQMJHNFPJS-UHFFFAOYSA-N 0 3 282.304 -0.213 20 5 CBBDHN C[C@@H]1CN(C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256445 352897593 /nfs/dbraw/zinc/89/75/93/352897593.db2.gz WKMZPVSXSYSIOG-PWSUYJOCSA-N 0 3 283.332 -0.212 20 5 CBBDHN COCCN1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000340948707 353193942 /nfs/dbraw/zinc/19/39/42/353193942.db2.gz GCEFGOSXDSRQLB-SECBINFHSA-N 0 3 298.303 -0.977 20 5 CBBDHN C[C@H]1[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCCN1C ZINC000343565593 353279103 /nfs/dbraw/zinc/27/91/03/353279103.db2.gz RUSZWJHHLGXTAD-DTWKUNHWSA-N 0 3 282.304 -0.215 20 5 CBBDHN COCCN(C)CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000345426664 353329947 /nfs/dbraw/zinc/32/99/47/353329947.db2.gz KVUMURIQOUXDGG-UHFFFAOYSA-N 0 3 285.304 -0.364 20 5 CBBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000228747111 137673842 /nfs/dbraw/zinc/67/38/42/137673842.db2.gz MIXSHMBGJAHROT-NSHDSACASA-N 0 3 270.289 -0.035 20 5 CBBDHN CCN(C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000354017927 353539120 /nfs/dbraw/zinc/53/91/20/353539120.db2.gz CTSRXIOFTDNCJL-UHFFFAOYSA-N 0 3 282.300 -0.176 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000358058898 353623641 /nfs/dbraw/zinc/62/36/41/353623641.db2.gz RKVYVEZAYLSMKO-LLVKDONJSA-N 0 3 268.273 -0.281 20 5 CBBDHN CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CNC1 ZINC000415738705 353965282 /nfs/dbraw/zinc/96/52/82/353965282.db2.gz SOGMEXRPOKWZOI-UHFFFAOYSA-N 0 3 278.268 -0.037 20 5 CBBDHN N[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562964750 354689984 /nfs/dbraw/zinc/68/99/84/354689984.db2.gz RENGAWQKEKGXSE-WDEREUQCSA-N 0 3 291.311 -0.014 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)C[C@H]1CN ZINC000563101643 354696765 /nfs/dbraw/zinc/69/67/65/354696765.db2.gz KEQTVOSKDVQDGS-SNVBAGLBSA-N 0 3 296.331 -0.799 20 5 CBBDHN Cc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n(C)n1 ZINC000583560378 355019885 /nfs/dbraw/zinc/01/98/85/355019885.db2.gz INJBNQPMJKPDBQ-LBPRGKRZSA-N 0 3 294.315 -0.016 20 5 CBBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000590444952 355080848 /nfs/dbraw/zinc/08/08/48/355080848.db2.gz OJFQGWXGKHSYFP-UWVGGRQHSA-N 0 3 279.300 -0.046 20 5 CBBDHN CCCc1n[nH]c(C(=O)N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000588863770 355062056 /nfs/dbraw/zinc/06/20/56/355062056.db2.gz KHQRDTXQQWZOFE-QMMMGPOBSA-N 0 3 299.331 -0.077 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CO)CN(C)C ZINC000588863814 355062352 /nfs/dbraw/zinc/06/23/52/355062352.db2.gz VLDRCNDQHPKCTO-VIFPVBQESA-N 0 3 285.304 -0.862 20 5 CBBDHN Cc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000591740912 355112146 /nfs/dbraw/zinc/11/21/46/355112146.db2.gz GHZPSIGBJUBOMO-NSHDSACASA-N 0 3 280.288 -0.026 20 5 CBBDHN Cc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC000591740912 355112150 /nfs/dbraw/zinc/11/21/50/355112150.db2.gz GHZPSIGBJUBOMO-NSHDSACASA-N 0 3 280.288 -0.026 20 5 CBBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc([N+](=O)[O-])n[nH]1 ZINC000592338681 355149252 /nfs/dbraw/zinc/14/92/52/355149252.db2.gz YUDRJTBGJJATFA-WDSKDSINSA-N 0 3 257.225 -0.252 20 5 CBBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2COC[C@H]2O)c1 ZINC000592432688 355154007 /nfs/dbraw/zinc/15/40/07/355154007.db2.gz LTMZGKGUGFHWOH-RAIGVLPGSA-N 0 3 298.295 -0.316 20 5 CBBDHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595108668 355271380 /nfs/dbraw/zinc/27/13/80/355271380.db2.gz ODSDUOCMTVYRNM-ZCFIWIBFSA-N 0 3 260.275 -0.385 20 5 CBBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595119076 355272461 /nfs/dbraw/zinc/27/24/61/355272461.db2.gz LIPVATCTFXSUBU-ZETCQYMHSA-N 0 3 274.302 -0.124 20 5 CBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCOC2(CNC2)C1 ZINC000596098285 355341645 /nfs/dbraw/zinc/34/16/45/355341645.db2.gz KHGIYLSFXXRTKJ-UHFFFAOYSA-N 0 3 295.299 -0.618 20 5 CBBDHN CN(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1O ZINC000596242245 355350605 /nfs/dbraw/zinc/35/06/05/355350605.db2.gz STLWPVDWCQFDTK-RYUDHWBXSA-N 0 3 294.311 -0.195 20 5 CBBDHN COCCNCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000179387669 189190323 /nfs/dbraw/zinc/19/03/23/189190323.db2.gz BHQVPWWOTRHCAC-UHFFFAOYSA-N 0 3 271.277 -0.857 20 5 CBBDHN CCN(CCO)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000183933383 189371963 /nfs/dbraw/zinc/37/19/63/189371963.db2.gz FCNQBMUQQNTVRW-UHFFFAOYSA-N 0 3 299.331 -0.388 20 5 CBBDHN CN(C)[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330675916 203106712 /nfs/dbraw/zinc/10/67/12/203106712.db2.gz STGDUNHMBBDHRL-VIFPVBQESA-N 0 3 282.304 -0.261 20 5 CBBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1[nH]ncc1[N+](=O)[O-] ZINC000362397044 373402620 /nfs/dbraw/zinc/40/26/20/373402620.db2.gz QMNPXVZYWKVKIO-DTWKUNHWSA-N 0 3 295.299 -0.089 20 5 CBBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000362397044 373402624 /nfs/dbraw/zinc/40/26/24/373402624.db2.gz QMNPXVZYWKVKIO-DTWKUNHWSA-N 0 3 295.299 -0.089 20 5 CBBDHN O=C(CCNC(CO)CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000515069670 373776925 /nfs/dbraw/zinc/77/69/25/373776925.db2.gz KNLGUIDSWFUAQM-UHFFFAOYSA-N 0 3 283.284 -0.134 20 5 CBBDHN CN(C)C(=O)C(C)(C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000532716158 374173770 /nfs/dbraw/zinc/17/37/70/374173770.db2.gz FDCRFBJVWLAVAK-JTQLQIEISA-N 0 3 299.331 -0.391 20 5 CBBDHN COCCN(C)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000263767630 190078249 /nfs/dbraw/zinc/07/82/49/190078249.db2.gz MKGJCBFMBSSSPY-UHFFFAOYSA-N 0 3 285.304 -0.066 20 5 CBBDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262704940 190061577 /nfs/dbraw/zinc/06/15/77/190061577.db2.gz BJMCSOPRDMHVDQ-VHSXEESVSA-N 0 3 294.311 -0.035 20 5 CBBDHN COCCN1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000264558005 190118156 /nfs/dbraw/zinc/11/81/56/190118156.db2.gz QEXMIKQXHSRSIR-JTQLQIEISA-N 0 3 297.315 -0.372 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN2[C@@H](CO)CC[C@H]2CO)c1 ZINC000347325958 218191545 /nfs/dbraw/zinc/19/15/45/218191545.db2.gz ZWUBESRXISWXRO-AOOOYVTPSA-N 0 3 270.289 -0.391 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(CCO)C2CC2)c1 ZINC000266543055 190265207 /nfs/dbraw/zinc/26/52/07/190265207.db2.gz QWHIJIVGYOCZKV-NSHDSACASA-N 0 3 270.289 -0.391 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCNCC1 ZINC000428434521 208088894 /nfs/dbraw/zinc/08/88/94/208088894.db2.gz WHYRBWFUXSTSEF-UHFFFAOYSA-N 0 3 267.289 -0.078 20 5 CBBDHN CN1CCN(CCCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000354515275 419850697 /nfs/dbraw/zinc/85/06/97/419850697.db2.gz XSDJHPLUFQCLHH-UHFFFAOYSA-N 0 3 280.332 0.434 20 5 CBBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000359799736 419988079 /nfs/dbraw/zinc/98/80/79/419988079.db2.gz SWASRWLBLTVEPJ-GFCCVEGCSA-N 0 3 297.315 -0.386 20 5 CBBDHN O=C1NC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@@H]12 ZINC000368232767 420127654 /nfs/dbraw/zinc/12/76/54/420127654.db2.gz SYZIAYHVIBYADT-MWLCHTKSSA-N 0 3 279.300 -0.141 20 5 CBBDHN CO[C@H](CN)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000569601210 420452416 /nfs/dbraw/zinc/45/24/16/420452416.db2.gz VXEAAIAJDLJEOB-SECBINFHSA-N 0 3 279.256 0.383 20 5 CBBDHN CNC(=O)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000183686638 269567583 /nfs/dbraw/zinc/56/75/83/269567583.db2.gz KGVFWDYCDZITGR-QWRGUYRKSA-N 0 3 299.331 -0.488 20 5 CBBDHN N[C@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000569139742 327038409 /nfs/dbraw/zinc/03/84/09/327038409.db2.gz SSYXZIPCOVKQMS-WPRPVWTQSA-N 0 3 295.274 -0.123 20 5 CBBDHN Cn1cnc([N+](=O)[O-])c1N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584124283 327046132 /nfs/dbraw/zinc/04/61/32/327046132.db2.gz ABXSSGFWJGGGDF-HTQZYQBOSA-N 0 3 280.288 -0.924 20 5 CBBDHN CC[NH2+]CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000574690262 327364360 /nfs/dbraw/zinc/36/43/60/327364360.db2.gz ACIMPMJRZAVISE-UHFFFAOYSA-N 0 3 274.302 -0.122 20 5 CBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CNCCC1(F)F ZINC000582548429 329105796 /nfs/dbraw/zinc/10/57/96/329105796.db2.gz YQSRKBRTOSXNRX-SSDOTTSWSA-N 0 3 289.242 -0.095 20 5 CBBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)NCCN(C)C ZINC000567178649 334687993 /nfs/dbraw/zinc/68/79/93/334687993.db2.gz MPNYDJZBSRPNBX-SSDOTTSWSA-N 0 3 298.303 -0.886 20 5 CBBDHN NCCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000577084817 335297496 /nfs/dbraw/zinc/29/74/96/335297496.db2.gz OGKZUDQEXMYFND-UHFFFAOYSA-N 0 3 292.295 -0.446 20 5 CBBDHN C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000743272047 582276309 /nfs/dbraw/zinc/27/63/09/582276309.db2.gz MANSSKMJJGVFOF-CMPLNLGQSA-N 0 3 283.332 -0.212 20 5 CBBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000743272077 582276366 /nfs/dbraw/zinc/27/63/66/582276366.db2.gz MANSSKMJJGVFOF-ZYHUDNBSSA-N 0 3 283.332 -0.212 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000762715346 582317999 /nfs/dbraw/zinc/31/79/99/582317999.db2.gz BGOUPAFWIOOIOZ-ZDUSSCGKSA-N 0 3 294.311 -0.027 20 5 CBBDHN NC(=O)[C@]1(O)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794569944 582406018 /nfs/dbraw/zinc/40/60/18/582406018.db2.gz ZDNDDZMSWTZWSK-AAEUAGOBSA-N 0 3 295.295 -0.450 20 5 CBBDHN NC(=O)[C@]1(O)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794569947 582406044 /nfs/dbraw/zinc/40/60/44/582406044.db2.gz ZDNDDZMSWTZWSK-YPMHNXCESA-N 0 3 295.295 -0.450 20 5 CBBDHN CC(COC(=O)c1cc(C(N)=O)cn1C)[N+](=O)[O-] ZINC000813101900 582453850 /nfs/dbraw/zinc/45/38/50/582453850.db2.gz LEIHARVMQXLMOR-ZCFIWIBFSA-N 0 3 255.230 -0.054 20 5 CBBDHN COCCN1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813104480 582453858 /nfs/dbraw/zinc/45/38/58/582453858.db2.gz NCWDKEGOMOQHAP-DTWKUNHWSA-N 0 3 274.273 -0.310 20 5 CBBDHN CC(COC(=O)C1CCN(S(N)(=O)=O)CC1)[N+](=O)[O-] ZINC000813109214 582453862 /nfs/dbraw/zinc/45/38/62/582453862.db2.gz PSPUCSASQSPVEU-SSDOTTSWSA-N 0 3 295.317 -0.890 20 5 CBBDHN CC(COC(=O)CCNS(C)(=O)=O)[N+](=O)[O-] ZINC000813104830 582453882 /nfs/dbraw/zinc/45/38/82/582453882.db2.gz SCUZVNQFMGLMAJ-ZCFIWIBFSA-N 0 3 254.264 -0.866 20 5 CBBDHN CC(COC(=O)[C@H]1CCCN(C(N)=O)C1)[N+](=O)[O-] ZINC000813105070 582453889 /nfs/dbraw/zinc/45/38/89/582453889.db2.gz VEEPEJJVUGNOEV-SFYZADRCSA-N 0 3 259.262 -0.015 20 5 CBBDHN CC(COC(=O)CCC(=O)N1CCOCC1)[N+](=O)[O-] ZINC000813105651 582453894 /nfs/dbraw/zinc/45/38/94/582453894.db2.gz RDUYEMBFFAASKN-VIFPVBQESA-N 0 3 274.273 -0.166 20 5 CBBDHN CC(COC(=O)C1CCN(S(N)(=O)=O)CC1)[N+](=O)[O-] ZINC000813109216 582453912 /nfs/dbraw/zinc/45/39/12/582453912.db2.gz PSPUCSASQSPVEU-ZETCQYMHSA-N 0 3 295.317 -0.890 20 5 CBBDHN CC(COC(=O)CCn1ncn(C)c1=O)[N+](=O)[O-] ZINC000816091124 582472107 /nfs/dbraw/zinc/47/21/07/582472107.db2.gz LSHBZMMGGNFMQV-SSDOTTSWSA-N 0 3 258.234 -0.820 20 5 CBBDHN CC(COC(=O)[C@H]1CCN(C)S1(=O)=O)[N+](=O)[O-] ZINC000842802314 583194483 /nfs/dbraw/zinc/19/44/83/583194483.db2.gz UWCAAJUCSQOPSC-NKWVEPMBSA-N 0 3 266.275 -0.771 20 5 CBBDHN CC(COC(=O)[C@H]1CCN(C)S1(=O)=O)[N+](=O)[O-] ZINC000842802315 583194557 /nfs/dbraw/zinc/19/45/57/583194557.db2.gz UWCAAJUCSQOPSC-RNFRBKRXSA-N 0 3 266.275 -0.771 20 5 CBBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2COC[C@H]2O)c1 ZINC000843117609 583203870 /nfs/dbraw/zinc/20/38/70/583203870.db2.gz QQTMOTRANDWEHR-IJLUTSLNSA-N 0 3 268.269 -0.023 20 5 CBBDHN O=C1OC[C@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000860159340 583739608 /nfs/dbraw/zinc/73/96/08/583739608.db2.gz DVCNJXCNFWGRHL-FBIMIBRVSA-N 0 3 296.283 -0.743 20 5 CBBDHN COC(=O)[C@@H]1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])O1 ZINC000860777426 583754825 /nfs/dbraw/zinc/75/48/25/583754825.db2.gz PVDDXODQIDZDPV-GJMOJQLCSA-N 0 3 261.230 -0.085 20 5 CBBDHN CC(COC(=O)CN1CC(=O)N(C)C1=O)[N+](=O)[O-] ZINC000860777049 583754844 /nfs/dbraw/zinc/75/48/44/583754844.db2.gz JVMXUPAHBQPCEM-LURJTMIESA-N 0 3 259.218 -0.911 20 5 CBBDHN O=C(Cn1ncc([N+](=O)[O-])n1)NC1CCN(C2CC2)CC1 ZINC000863374382 583840854 /nfs/dbraw/zinc/84/08/54/583840854.db2.gz QZAPZBOAVPUJJQ-UHFFFAOYSA-N 0 3 294.315 -0.071 20 5 CBBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000874846354 584093067 /nfs/dbraw/zinc/09/30/67/584093067.db2.gz YCOXGBXFKMCFSV-UWVGGRQHSA-N 0 3 294.315 -0.119 20 5 CBBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2cnon2)CC1 ZINC000996430075 656411928 /nfs/dbraw/zinc/41/19/28/656411928.db2.gz ZGVOCHURAUSMJE-GHMZBOCLSA-N 0 3 295.299 -0.185 20 5 CBBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(CCCCCO)CC1 ZINC000913694865 657586636 /nfs/dbraw/zinc/58/66/36/657586636.db2.gz IAVGMAAEFLASQH-VXGBXAGGSA-N 0 3 285.344 -0.042 20 5 CBBDHN NC(=O)C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020533886 658068785 /nfs/dbraw/zinc/06/87/85/658068785.db2.gz MOQJQWRBDNTGQM-MGCOHNPYSA-N 0 3 292.295 -0.183 20 5 CBBDHN O=C(N[C@H]1C[C@H](CNCc2cnon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983654486 659363671 /nfs/dbraw/zinc/36/36/71/659363671.db2.gz OECUJMGBGGQKKZ-YJFSRANCSA-N 0 3 295.299 -0.281 20 5 CBBDHN C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1=CCN(C)CC1 ZINC001323620427 804050055 /nfs/dbraw/zinc/05/00/55/804050055.db2.gz DIKIFRIFHOBTIU-VIFPVBQESA-N 0 3 294.315 -0.047 20 5 CBBDHN CCOCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154341117 815210576 /nfs/dbraw/zinc/21/05/76/815210576.db2.gz KPPNBQKDPMMADM-UHFFFAOYSA-N 0 3 299.331 -0.039 20 5 CBBDHN COc1nc(N(C)S(=O)(=O)CCN)ccc1[N+](=O)[O-] ZINC001156231503 815347354 /nfs/dbraw/zinc/34/73/54/815347354.db2.gz IYIJNQYYALDTEF-UHFFFAOYSA-N 0 3 290.301 -0.277 20 5 CBBDHN CCN(CCO)CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001116649366 812290075 /nfs/dbraw/zinc/29/00/75/812290075.db2.gz RJSGNKBEQBBGRG-UHFFFAOYSA-N 0 3 285.304 -0.628 20 5 CBBDHN CNC(=O)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126161965 813620426 /nfs/dbraw/zinc/62/04/26/813620426.db2.gz VYYWJZVXJBKZNL-UHFFFAOYSA-N 0 3 294.311 -0.063 20 5 CBBDHN COc1ccc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001126932145 813695336 /nfs/dbraw/zinc/69/53/36/813695336.db2.gz JHAHEJPGKKWPFX-NXEZZACHSA-N 0 3 295.299 -0.644 20 5 CBBDHN Cc1nccnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938931 813697971 /nfs/dbraw/zinc/69/79/71/813697971.db2.gz NYSNQSIKMATECN-MWLCHTKSSA-N 0 3 279.300 -0.344 20 5 CBBDHN COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001138019011 814597797 /nfs/dbraw/zinc/59/77/97/814597797.db2.gz VAOTYIQSZFDTHW-HRDYMLBCSA-N 0 3 282.256 -0.725 20 5 CBBDHN CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001303625793 816771604 /nfs/dbraw/zinc/77/16/04/816771604.db2.gz HBZPWRSFUCFVMO-UHFFFAOYSA-N 0 3 282.300 -0.169 20 5 CBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1nn(C)cc1[N+](=O)[O-] ZINC001307148699 816796919 /nfs/dbraw/zinc/79/69/19/816796919.db2.gz XXPZWAUELMBTKY-SECBINFHSA-N 0 3 296.331 -0.116 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN2C[C@H](CO)[C@@H](CCO)C2)c1 ZINC001308162971 816822658 /nfs/dbraw/zinc/82/26/58/816822658.db2.gz JXDJHJKIPRSBDC-WDEREUQCSA-N 0 3 284.316 -0.286 20 5 CBBDHN C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170567527 820309153 /nfs/dbraw/zinc/30/91/53/820309153.db2.gz DVVGLSVRCQWLSX-IONNQARKSA-N 0 3 295.299 -0.123 20 5 CBBDHN NC(=O)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C(N)=O ZINC001196092552 824148547 /nfs/dbraw/zinc/14/85/47/824148547.db2.gz INAXHTUOIYMNLX-QWRGUYRKSA-N 0 3 292.295 -0.387 20 5 CBBDHN C[C@H](CN1CCN(C)CC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001253825831 825934882 /nfs/dbraw/zinc/93/48/82/825934882.db2.gz RGOZDGNWLPTURZ-SECBINFHSA-N 0 3 296.331 -0.316 20 5 CBBDHN NC(=O)C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001268583453 827370345 /nfs/dbraw/zinc/37/03/45/827370345.db2.gz AOTKHHUTGAMRIH-UPHRSURJSA-N 0 3 292.295 -0.158 20 5 CBBDHN NC(=O)[C@H](O)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326236787 884952698 /nfs/dbraw/zinc/95/26/98/884952698.db2.gz NZUHRFVQWGAZKI-NXEZZACHSA-N 0 3 269.257 -0.936 20 5 CBBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CNCCO1 ZINC001326451080 885030379 /nfs/dbraw/zinc/03/03/79/885030379.db2.gz LFYUXZZPTJHIKD-SSDOTTSWSA-N 0 3 269.261 -0.954 20 5 CBBDHN CCOC(=O)[C@H]1CNCCN1CCn1ccc([N+](=O)[O-])n1 ZINC001328490931 885706418 /nfs/dbraw/zinc/70/64/18/885706418.db2.gz ZTILFUKPFFBGOQ-SNVBAGLBSA-N 0 3 297.315 -0.372 20 5 CBBDHN CN(CCO)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001455778726 914410020 /nfs/dbraw/zinc/41/00/20/914410020.db2.gz FKAGYPLWDYDISZ-UHFFFAOYSA-N 0 3 282.300 -0.169 20 5 CBBDHN CC1(C)CNC(=O)[C@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC001473763023 915859375 /nfs/dbraw/zinc/85/93/75/915859375.db2.gz PXJKSWITVPXCFO-SECBINFHSA-N 0 3 267.289 -0.095 20 5 CBBDHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)N1CCC1 ZINC001490193612 918864788 /nfs/dbraw/zinc/86/47/88/918864788.db2.gz USHNBPCAKQJRTI-GHMZBOCLSA-N 0 3 298.343 -0.678 20 5 CBBDHN CCN(CCO)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000274583955 352541371 /nfs/dbraw/zinc/54/13/71/352541371.db2.gz SXSGUYXWJVRBPU-UHFFFAOYSA-N 0 3 285.304 -0.330 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(CO)CC2)c1 ZINC000075626586 351668908 /nfs/dbraw/zinc/66/89/08/351668908.db2.gz XQLYWIJFYHDBOG-GFCCVEGCSA-N 0 3 284.316 -0.144 20 5 CBBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NC2CNC2)cc1 ZINC000090289228 351739905 /nfs/dbraw/zinc/73/99/05/351739905.db2.gz FNNUKYOOAPXUGI-UHFFFAOYSA-N 0 3 271.298 -0.014 20 5 CBBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@@H]1CN ZINC000124324286 351855873 /nfs/dbraw/zinc/85/58/73/351855873.db2.gz JMXPEBDZMVWQFN-JTQLQIEISA-N 0 3 281.316 -0.352 20 5 CBBDHN CC(C)(C)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000173343310 352036736 /nfs/dbraw/zinc/03/67/36/352036736.db2.gz KQGGEECLPNTXGR-NXEZZACHSA-N 0 3 299.331 -0.358 20 5 CBBDHN C[C@@H](O)CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000190919038 352184865 /nfs/dbraw/zinc/18/48/65/352184865.db2.gz NDNZQPUZEQHOCY-VHSXEESVSA-N 0 3 272.305 -0.145 20 5 CBBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000228748256 352265566 /nfs/dbraw/zinc/26/55/66/352265566.db2.gz IMBYTORLGRARQF-GFCCVEGCSA-N 0 3 284.316 -0.024 20 5 CBBDHN CCN(C)C(=O)[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000231849562 352277975 /nfs/dbraw/zinc/27/79/75/352277975.db2.gz HVSMZXRAPYCNQJ-MWLCHTKSSA-N 0 3 299.331 -0.391 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H](O)C(F)(F)F)c1 ZINC000236537452 352290126 /nfs/dbraw/zinc/29/01/26/352290126.db2.gz NMUANVMADOYGAB-HTQZYQBOSA-N 0 3 298.221 -0.335 20 5 CBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCNCC1 ZINC000238142586 352314397 /nfs/dbraw/zinc/31/43/97/352314397.db2.gz WDMWSSWPVVNHOD-UHFFFAOYSA-N 0 3 280.284 -0.422 20 5 CBBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1O ZINC000249602981 352369896 /nfs/dbraw/zinc/36/98/96/352369896.db2.gz YWLVQTFFFGLTPC-JLLWLGSASA-N 0 3 284.316 -0.145 20 5 CBBDHN COCCN1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000270805809 352501985 /nfs/dbraw/zinc/50/19/85/352501985.db2.gz VMZJXYZDPNZQDL-MRVPVSSYSA-N 0 3 283.288 -0.232 20 5 CBBDHN C[C@@]1(C(N)=O)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000280820582 352598492 /nfs/dbraw/zinc/59/84/92/352598492.db2.gz USWZXVQKSIMFDJ-LLVKDONJSA-N 0 3 267.289 -0.011 20 5 CBBDHN C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N(C)C ZINC000298868972 352716528 /nfs/dbraw/zinc/71/65/28/352716528.db2.gz SOTHFAFGPDLKLI-QMMMGPOBSA-N 0 3 255.278 -0.142 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](CO)C2)c1 ZINC000304380528 352746433 /nfs/dbraw/zinc/74/64/33/352746433.db2.gz YFEHPDRWCVORFL-PWSUYJOCSA-N 0 3 284.316 -0.144 20 5 CBBDHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000312722060 352776063 /nfs/dbraw/zinc/77/60/63/352776063.db2.gz IOTBAUZUTCFUJE-NSHDSACASA-N 0 3 285.300 -0.304 20 5 CBBDHN CN(C)C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCO1 ZINC000330554249 352846766 /nfs/dbraw/zinc/84/67/66/352846766.db2.gz DERGVNAMQLBHQR-VIFPVBQESA-N 0 3 297.315 -0.269 20 5 CBBDHN COCCNCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000152473015 188021052 /nfs/dbraw/zinc/02/10/52/188021052.db2.gz ITAADTJKRQZBMB-UHFFFAOYSA-N 0 3 299.331 -0.121 20 5 CBBDHN C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N(C)C1CC1 ZINC000340724041 353183606 /nfs/dbraw/zinc/18/36/06/353183606.db2.gz PPXWZHLZBHWOAK-QMMMGPOBSA-N 0 3 282.304 -0.215 20 5 CBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NCCN1CCCC1 ZINC000349522439 353454926 /nfs/dbraw/zinc/45/49/26/353454926.db2.gz NAHNMUFHFOALSV-UHFFFAOYSA-N 0 3 268.277 -0.602 20 5 CBBDHN CCN(C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354022482 353538828 /nfs/dbraw/zinc/53/88/28/353538828.db2.gz PJWHWOQRGNEBML-UHFFFAOYSA-N 0 3 256.266 -0.746 20 5 CBBDHN C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000358056227 353622242 /nfs/dbraw/zinc/62/22/42/353622242.db2.gz ZWVNSVALGUWFPQ-NSHDSACASA-N 0 3 268.273 -0.281 20 5 CBBDHN C[N@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000358056227 353622244 /nfs/dbraw/zinc/62/22/44/353622244.db2.gz ZWVNSVALGUWFPQ-NSHDSACASA-N 0 3 268.273 -0.281 20 5 CBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN2CCC[C@@H]2C1 ZINC000408087473 353846492 /nfs/dbraw/zinc/84/64/92/353846492.db2.gz BBDDRQMZOYJMLF-SECBINFHSA-N 0 3 280.288 -0.507 20 5 CBBDHN Nc1c(C(=O)NC[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423986613 354207220 /nfs/dbraw/zinc/20/72/20/354207220.db2.gz GCYKDQWBNLEZNT-QMMMGPOBSA-N 0 3 280.284 -0.105 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN[C@H](CO)[C@H]2CCCO2)c1 ZINC000447901819 354306757 /nfs/dbraw/zinc/30/67/57/354306757.db2.gz CWXKKFBJSDQPMO-GHMZBOCLSA-N 0 3 270.289 -0.079 20 5 CBBDHN CC[C@]1(O)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495194071 354499516 /nfs/dbraw/zinc/49/95/16/354499516.db2.gz NNGSRXUOCYYIJJ-RYUDHWBXSA-N 0 3 284.316 -0.001 20 5 CBBDHN N[C@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])nc3)CCN2C1=O ZINC000563431263 354704452 /nfs/dbraw/zinc/70/44/52/354704452.db2.gz LRHMKMCLEJQBOI-UWVGGRQHSA-N 0 3 277.284 -0.262 20 5 CBBDHN N[C@@H]1C[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702585 354878846 /nfs/dbraw/zinc/87/88/46/354878846.db2.gz NMXGHLKRVDNQGH-MWLCHTKSSA-N 0 3 294.315 -0.965 20 5 CBBDHN O=[N+]([O-])c1ccccc1OCCNC(CO)CO ZINC000574925394 354932390 /nfs/dbraw/zinc/93/23/90/354932390.db2.gz ZESNWSYWUMTZQX-UHFFFAOYSA-N 0 3 256.258 -0.084 20 5 CBBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCCNCC1 ZINC000578748381 354953787 /nfs/dbraw/zinc/95/37/87/354953787.db2.gz YMYYWOSJRICYLW-UHFFFAOYSA-N 0 3 286.313 -0.026 20 5 CBBDHN O=C(NCCNc1ccncc1)c1c[nH]nc1[N+](=O)[O-] ZINC000584827600 355038911 /nfs/dbraw/zinc/03/89/11/355038911.db2.gz RXXCTYBCCMVWCO-UHFFFAOYSA-N 0 3 276.256 -0.023 20 5 CBBDHN Cc1nn(C)c(C(=O)N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000588863761 355061954 /nfs/dbraw/zinc/06/19/54/355061954.db2.gz IXRHRPARYQZABG-MRVPVSSYSA-N 0 3 285.304 -0.711 20 5 CBBDHN CCN1CC[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000591765802 355113157 /nfs/dbraw/zinc/11/31/57/355113157.db2.gz IUHGJWGZRPYNKR-GHMZBOCLSA-N 0 3 297.315 -0.637 20 5 CBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000591985800 355123845 /nfs/dbraw/zinc/12/38/45/355123845.db2.gz SJNKJQXZQWJIKC-SECBINFHSA-N 0 3 294.315 -0.059 20 5 CBBDHN COC(=O)[C@@H]1CNCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000592489373 355157251 /nfs/dbraw/zinc/15/72/51/355157251.db2.gz RPFFIGVKTHMCBP-JTQLQIEISA-N 0 3 297.315 -0.372 20 5 CBBDHN COC(=O)[C@@H]1CNCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000592985022 355188637 /nfs/dbraw/zinc/18/86/37/355188637.db2.gz ZZVDNRKPXPQWIH-NSHDSACASA-N 0 3 297.315 -0.372 20 5 CBBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCN2C1=O ZINC000594873897 355266198 /nfs/dbraw/zinc/26/61/98/355266198.db2.gz QOMRCZFUNIBJMN-HTQZYQBOSA-N 0 3 294.267 -0.428 20 5 CBBDHN CN(C1CNC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595112613 355271630 /nfs/dbraw/zinc/27/16/30/355271630.db2.gz WEQNAODUQOGPFW-UHFFFAOYSA-N 0 3 272.286 -0.418 20 5 CBBDHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595122808 355272488 /nfs/dbraw/zinc/27/24/88/355272488.db2.gz VMKJRIKZLVOCIV-SSDOTTSWSA-N 0 3 274.302 -0.124 20 5 CBBDHN [NH3+][C@@H](CO)Cc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594652774 355256741 /nfs/dbraw/zinc/25/67/41/355256741.db2.gz OGVHKYMQDPISMU-SSDOTTSWSA-N 0 3 279.256 -0.257 20 5 CBBDHN CCCN1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000598343050 355438918 /nfs/dbraw/zinc/43/89/18/355438918.db2.gz RYZMGYWAGITRNU-SECBINFHSA-N 0 3 282.304 -0.213 20 5 CBBDHN CN(CCN)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598916313 355456264 /nfs/dbraw/zinc/45/62/64/355456264.db2.gz XSFJAWYRFLHZTK-UHFFFAOYSA-N 0 3 266.257 -0.050 20 5 CBBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCNCC2)n1 ZINC000599095250 355463391 /nfs/dbraw/zinc/46/33/91/355463391.db2.gz CIKVGIWVJOXZPI-UHFFFAOYSA-N 0 3 289.317 -0.688 20 5 CBBDHN O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000600807475 355566685 /nfs/dbraw/zinc/56/66/85/355566685.db2.gz HPSVCSDIFGLSFQ-QMMMGPOBSA-N 0 3 268.273 -0.281 20 5 CBBDHN O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000600807475 355566688 /nfs/dbraw/zinc/56/66/88/355566688.db2.gz HPSVCSDIFGLSFQ-QMMMGPOBSA-N 0 3 268.273 -0.281 20 5 CBBDHN C[C@@H]1C[C@H](O)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000340973308 215782729 /nfs/dbraw/zinc/78/27/29/215782729.db2.gz PKHWYFCBFFOZFG-DVVUODLYSA-N 0 3 270.289 -0.393 20 5 CBBDHN CNC(=O)CCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000179208188 189177675 /nfs/dbraw/zinc/17/76/75/189177675.db2.gz CDQVWNBFROZFOP-UHFFFAOYSA-N 0 3 282.300 -0.176 20 5 CBBDHN CN(C)[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330539962 202942891 /nfs/dbraw/zinc/94/28/91/202942891.db2.gz ZCEGWAOFPPRPDQ-QMMMGPOBSA-N 0 3 268.277 -0.651 20 5 CBBDHN CN(C)C[C@@](C)(O)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000228754480 189795291 /nfs/dbraw/zinc/79/52/91/189795291.db2.gz QQKUZKDFJNLSKF-NSHDSACASA-N 0 3 285.304 -0.780 20 5 CBBDHN Cc1nn(C)c(C(=O)NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000345927122 217749906 /nfs/dbraw/zinc/74/99/06/217749906.db2.gz IGTOSFXAVDPRDJ-UHFFFAOYSA-N 0 3 299.331 -0.055 20 5 CBBDHN CN(C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CCO1 ZINC000356208534 248214379 /nfs/dbraw/zinc/21/43/79/248214379.db2.gz DYZADRBFANCGIF-SECBINFHSA-N 0 3 297.315 -0.269 20 5 CBBDHN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCN(C2CC2)C1 ZINC000347003559 218089487 /nfs/dbraw/zinc/08/94/87/218089487.db2.gz GKQVPKKXYFXKIE-SNVBAGLBSA-N 0 3 294.315 -0.119 20 5 CBBDHN CC(C)[C@@](C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000289472257 197363745 /nfs/dbraw/zinc/36/37/45/197363745.db2.gz ZCLQSGFDRKNHDB-ZYHUDNBSSA-N 0 3 299.331 -0.358 20 5 CBBDHN CC(C)[C@](C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000289472252 197363503 /nfs/dbraw/zinc/36/35/03/197363503.db2.gz ZCLQSGFDRKNHDB-JQWIXIFHSA-N 0 3 299.331 -0.358 20 5 CBBDHN CN(C)CCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000267092237 190303077 /nfs/dbraw/zinc/30/30/77/190303077.db2.gz IRBDWTDECBMUHQ-UHFFFAOYSA-N 0 3 255.278 -0.189 20 5 CBBDHN CN(CCn1ccc([N+](=O)[O-])n1)CC(=O)N1CCNCC1 ZINC000430620719 208168948 /nfs/dbraw/zinc/16/89/48/208168948.db2.gz BNUQCRBSMRZPTD-UHFFFAOYSA-N 0 3 296.331 -0.845 20 5 CBBDHN C[C@@H]1NCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1C ZINC000434672746 208264081 /nfs/dbraw/zinc/26/40/81/208264081.db2.gz ZLVFBTOWZHVGEA-YUMQZZPRSA-N 0 3 268.277 -0.605 20 5 CBBDHN CCn1cc(S(=O)(=O)N(C)CCNC)c([N+](=O)[O-])n1 ZINC000440828543 208345514 /nfs/dbraw/zinc/34/55/14/208345514.db2.gz UQJSDMQMIINABM-UHFFFAOYSA-N 0 3 291.333 -0.349 20 5 CBBDHN C[C@@H](CN(C)C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000287221193 196806546 /nfs/dbraw/zinc/80/65/46/196806546.db2.gz OOVSDSIKGMWPPK-QMMMGPOBSA-N 0 3 255.278 -0.142 20 5 CBBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285169162 196212215 /nfs/dbraw/zinc/21/22/15/196212215.db2.gz CKTIWIVGXJYHSN-UHFFFAOYSA-N 0 3 271.277 -0.374 20 5 CBBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CC1 ZINC000285667058 196359720 /nfs/dbraw/zinc/35/97/20/196359720.db2.gz ZKWFLLDQFRPBMZ-SNVBAGLBSA-N 0 3 270.289 -0.391 20 5 CBBDHN CN1CC[C@](O)(CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000358342515 419894714 /nfs/dbraw/zinc/89/47/14/419894714.db2.gz SCFUJUXLAZRQKZ-JTQLQIEISA-N 0 3 268.277 -0.555 20 5 CBBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1C[C@H](F)CN1 ZINC000368205889 420127357 /nfs/dbraw/zinc/12/73/57/420127357.db2.gz YRPSACWZPZWPAU-YUMQZZPRSA-N 0 3 271.252 -0.393 20 5 CBBDHN O=C(CCNC(CO)CO)Nc1ccccc1[N+](=O)[O-] ZINC000517030215 420369943 /nfs/dbraw/zinc/36/99/43/420369943.db2.gz JUYWGIXKOABGDO-UHFFFAOYSA-N 0 3 283.284 -0.134 20 5 CBBDHN CNc1nccc(C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000553190229 420426533 /nfs/dbraw/zinc/42/65/33/420426533.db2.gz HQZLSGAGVYPILN-UHFFFAOYSA-N 0 3 267.289 0.323 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000572899092 420457966 /nfs/dbraw/zinc/45/79/66/420457966.db2.gz SKPUCRIMGUSSPZ-LBPRGKRZSA-N 0 3 295.299 -0.632 20 5 CBBDHN CN(C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000596244519 420488419 /nfs/dbraw/zinc/48/84/19/420488419.db2.gz RCVPEFQCNHPUNR-LURJTMIESA-N 0 3 256.266 -0.699 20 5 CBBDHN N[C@@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000569139741 327038321 /nfs/dbraw/zinc/03/83/21/327038321.db2.gz SSYXZIPCOVKQMS-WCBMZHEXSA-N 0 3 295.274 -0.123 20 5 CBBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H](O)CO)c1 ZINC000561383140 327390483 /nfs/dbraw/zinc/39/04/83/327390483.db2.gz WXPCMEXYDPEBBB-WDEREUQCSA-N 0 3 286.284 -0.723 20 5 CBBDHN COC(=O)CC1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000581075720 336004786 /nfs/dbraw/zinc/00/47/86/336004786.db2.gz XLCVOEPBKYFXGX-SNVBAGLBSA-N 0 3 298.299 -0.163 20 5 CBBDHN Cc1nc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000581380852 336065879 /nfs/dbraw/zinc/06/58/79/336065879.db2.gz HGWCRSKCBLGCBF-IUCAKERBSA-N 0 3 292.299 -0.559 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CNCCO1 ZINC000581879276 336157418 /nfs/dbraw/zinc/15/74/18/336157418.db2.gz AXDYNGMHVZPOJS-SNVBAGLBSA-N 0 3 297.315 -0.406 20 5 CBBDHN CN(C)CCNC(=S)NCCn1cc([N+](=O)[O-])cn1 ZINC000768480374 582334096 /nfs/dbraw/zinc/33/40/96/582334096.db2.gz QGERDPUHFLYQLT-UHFFFAOYSA-N 0 3 286.361 -0.183 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000775414537 582352541 /nfs/dbraw/zinc/35/25/41/582352541.db2.gz NUMOVBNDMKZILG-SECBINFHSA-N 0 3 288.329 -0.042 20 5 CBBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000795849764 582410713 /nfs/dbraw/zinc/41/07/13/582410713.db2.gz ADBUUNHFRSODGK-IUCAKERBSA-N 0 3 295.299 -0.089 20 5 CBBDHN CC(COC(=O)CCn1cnccc1=O)[N+](=O)[O-] ZINC000797284449 582413208 /nfs/dbraw/zinc/41/32/08/582413208.db2.gz XMFYSZCAZRKOQV-QMMMGPOBSA-N 0 3 255.230 -0.158 20 5 CBBDHN CC(COC(=O)Cc1nc2ncccn2n1)[N+](=O)[O-] ZINC000813108714 582453871 /nfs/dbraw/zinc/45/38/71/582453871.db2.gz KZENEOVZRYNUKA-SSDOTTSWSA-N 0 3 265.229 -0.125 20 5 CBBDHN CC(COC(=O)Cn1cc([N+](=O)[O-])cn1)[N+](=O)[O-] ZINC000813108675 582453885 /nfs/dbraw/zinc/45/38/85/582453885.db2.gz JPNGGVHSMJWDNH-LURJTMIESA-N 0 3 258.190 0.000 20 5 CBBDHN CC(COC(=O)CCN1C(=O)CCC1=O)[N+](=O)[O-] ZINC000813111508 582453924 /nfs/dbraw/zinc/45/39/24/582453924.db2.gz UERNSVGNHGGMBD-ZETCQYMHSA-N 0 3 258.230 -0.266 20 5 CBBDHN CC(COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)[N+](=O)[O-] ZINC000813115755 582453926 /nfs/dbraw/zinc/45/39/26/582453926.db2.gz ZFIVUSNWONALEJ-LGYSABEFSA-N 0 3 297.267 -0.694 20 5 CBBDHN CC(COC(=O)Cn1ccc([N+](=O)[O-])n1)[N+](=O)[O-] ZINC000813111312 582453995 /nfs/dbraw/zinc/45/39/95/582453995.db2.gz REFJSPAIFYKWFI-ZCFIWIBFSA-N 0 3 258.190 0.000 20 5 CBBDHN CNC(=O)[C@@H](O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843109839 583201963 /nfs/dbraw/zinc/20/19/63/583201963.db2.gz HFVUUXZECYCNJO-QWRGUYRKSA-N 0 3 283.284 -0.675 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854463481 583603879 /nfs/dbraw/zinc/60/38/79/583603879.db2.gz BZSBIOYWJAKVCQ-VIFPVBQESA-N 0 3 261.322 -0.139 20 5 CBBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000854945917 583629510 /nfs/dbraw/zinc/62/95/10/583629510.db2.gz WDRHHQKVRLSLAA-UHFFFAOYSA-N 0 3 269.261 -0.205 20 5 CBBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[N+](=O)[O-] ZINC000860777715 583754847 /nfs/dbraw/zinc/75/48/47/583754847.db2.gz UDAFNYVAHUUWDY-DTWKUNHWSA-N 0 3 296.283 -0.019 20 5 CBBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2COC[C@H]2O)cc1 ZINC000323452241 656148860 /nfs/dbraw/zinc/14/88/60/656148860.db2.gz USJHOEMTAWNIDJ-IJLUTSLNSA-N 0 3 268.269 -0.023 20 5 CBBDHN NC(=O)c1cc([N+](=O)[O-])cn(CCN2CCCC2)c1=O ZINC000915668727 657747487 /nfs/dbraw/zinc/74/74/87/657747487.db2.gz OEGPWKSAKAFWFL-UHFFFAOYSA-N 0 3 280.284 -0.049 20 5 CBBDHN CN1CCC[C@@H]1C(=O)N1CCN(CC[N+](=O)[O-])CC1 ZINC000929847612 659181909 /nfs/dbraw/zinc/18/19/09/659181909.db2.gz XXJQFZNLHBMORU-LLVKDONJSA-N 0 3 270.333 -0.499 20 5 CBBDHN O=C(NC1CN(C(=O)c2ccn[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991279168 659829805 /nfs/dbraw/zinc/82/98/05/659829805.db2.gz JKGBQJFLXFWCRG-VXNVDRBHSA-N 0 3 279.256 -0.985 20 5 CBBDHN C[C@@H](CN(C)C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001322604426 803918274 /nfs/dbraw/zinc/91/82/74/803918274.db2.gz CDRJQIUFQMXATM-VIFPVBQESA-N 0 3 282.300 -0.177 20 5 CBBDHN C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1=CCN(C)CC1 ZINC001323620425 804050948 /nfs/dbraw/zinc/05/09/48/804050948.db2.gz DIKIFRIFHOBTIU-SECBINFHSA-N 0 3 294.315 -0.047 20 5 CBBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001153780319 815177026 /nfs/dbraw/zinc/17/70/26/815177026.db2.gz GZGRCPXKSCNAJO-DTWKUNHWSA-N 0 3 295.299 -0.401 20 5 CBBDHN NCc1cnnn1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001158422865 815527830 /nfs/dbraw/zinc/52/78/30/815527830.db2.gz IANRICIXXVVSOO-UHFFFAOYSA-N 0 3 270.636 -0.079 20 5 CBBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2nncc2CN)n1 ZINC001158427083 815529235 /nfs/dbraw/zinc/52/92/35/815529235.db2.gz LICFOXRFZVUBNN-UHFFFAOYSA-N 0 3 278.228 -0.184 20 5 CBBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H](CO)[C@H](CO)C1 ZINC001118837857 812638564 /nfs/dbraw/zinc/63/85/64/812638564.db2.gz OYQFLHPNLCXBMA-QWRGUYRKSA-N 0 3 297.311 -0.711 20 5 CBBDHN CCn1nncc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001118898139 812656416 /nfs/dbraw/zinc/65/64/16/812656416.db2.gz UMLNJPIRISKXFT-LLVKDONJSA-N 0 3 295.303 -0.447 20 5 CBBDHN COc1ccnc([N-][C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001163240810 815871266 /nfs/dbraw/zinc/87/12/66/815871266.db2.gz WOOJFRJLCVPAIR-PELKAZGASA-N 0 3 293.283 -0.012 20 5 CBBDHN COc1ccnc([N-][C@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001163240811 815871310 /nfs/dbraw/zinc/87/13/10/815871310.db2.gz WOOJFRJLCVPAIR-PRHODGIISA-N 0 3 293.283 -0.012 20 5 CBBDHN CN(c1nccc(N)c1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164292618 819901830 /nfs/dbraw/zinc/90/18/30/819901830.db2.gz UNMGSXBDRTUKBO-UHFFFAOYSA-N 0 3 275.290 -0.703 20 5 CBBDHN COc1ncc([N+](=O)[O-])cc1N(C)S(=O)(=O)CCN ZINC001164296583 819904018 /nfs/dbraw/zinc/90/40/18/819904018.db2.gz GCWUUJRCCBZBQV-UHFFFAOYSA-N 0 3 290.301 -0.277 20 5 CBBDHN O=[N+]([O-])c1cc2c(cc1NC(CO)(CO)CO)CNC2 ZINC001167930570 820132485 /nfs/dbraw/zinc/13/24/85/820132485.db2.gz NAAWZZWRAKBRER-UHFFFAOYSA-N 0 3 283.284 -0.674 20 5 CBBDHN CN1CCN(C(=N)Nc2c[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001168737413 820172249 /nfs/dbraw/zinc/17/22/49/820172249.db2.gz VJUDWPCUBYIDKU-UHFFFAOYSA-N 0 3 280.288 -0.178 20 5 CBBDHN NCc1cnnn1-c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001169310869 820226882 /nfs/dbraw/zinc/22/68/82/820226882.db2.gz KTKXCYKYMFUXOW-UHFFFAOYSA-N 0 3 263.217 -0.872 20 5 CBBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(=O)[n-]n1 ZINC001227095756 825297384 /nfs/dbraw/zinc/29/73/84/825297384.db2.gz UZLAPYYSLBZSFI-MRVPVSSYSA-O 0 3 256.282 -0.455 20 5 CBBDHN C[C@@H](CN1CCN(C)CC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001253825851 825935317 /nfs/dbraw/zinc/93/53/17/825935317.db2.gz RGOZDGNWLPTURZ-VIFPVBQESA-N 0 3 296.331 -0.316 20 5 CBBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001326450106 885030945 /nfs/dbraw/zinc/03/09/45/885030945.db2.gz DETXZKFXGDPHJI-QMMMGPOBSA-N 0 3 283.288 -0.645 20 5 CBBDHN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@@H]2CNCCO2)n1 ZINC001327023038 885230348 /nfs/dbraw/zinc/23/03/48/885230348.db2.gz TZPYNORYSMOHQS-SSDOTTSWSA-N 0 3 294.271 -0.091 20 5 CBBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1c[nH]nc1[N+](=O)[O-] ZINC001340015689 889366911 /nfs/dbraw/zinc/36/69/11/889366911.db2.gz FBYNRPMZSNOYTI-DTWKUNHWSA-N 0 3 295.299 -0.089 20 5 CBBDHN NCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001349420009 890812408 /nfs/dbraw/zinc/81/24/08/890812408.db2.gz DYMOGWVEHKVOLE-UHFFFAOYSA-N 0 3 253.262 -0.087 20 5 CBBDHN COCC1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001350697238 891025189 /nfs/dbraw/zinc/02/51/89/891025189.db2.gz LUVYIMNDAUWCPK-NSHDSACASA-N 0 3 270.289 -0.270 20 5 CBBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC(N[C@@H]2CCOC2)C1 ZINC001472084060 915691682 /nfs/dbraw/zinc/69/16/82/915691682.db2.gz YRBTUHCNBOBBSU-SSDOTTSWSA-N 0 3 281.272 -0.479 20 5 CBBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000351825063 219217777 /nfs/dbraw/zinc/21/77/77/219217777.db2.gz GEPLPEUTNHKZGH-IEBDPFPHSA-N 0 3 270.289 -0.535 20 5 CBBDHN C[C@H](O)CN(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000351939902 219256473 /nfs/dbraw/zinc/25/64/73/219256473.db2.gz XQZRSNRPWBOMDF-VIFPVBQESA-N 0 3 258.278 -0.534 20 5 CBBDHN CC(C)(C)N(CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000131147315 351884078 /nfs/dbraw/zinc/88/40/78/351884078.db2.gz FSTVDSIGOJNMFS-JTQLQIEISA-N 0 3 299.331 -0.262 20 5 CBBDHN CCCN(CC(=O)NC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173556348 352038913 /nfs/dbraw/zinc/03/89/13/352038913.db2.gz GQEBADFMFMINHS-LLVKDONJSA-N 0 3 299.331 -0.390 20 5 CBBDHN C[C@@H]1CCNC(=O)[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000193582943 352206133 /nfs/dbraw/zinc/20/61/33/352206133.db2.gz CLNPGVMBYWRBEK-PSASIEDQSA-N 0 3 267.289 -0.095 20 5 CBBDHN CCN(C)C(=O)[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000231849568 352278391 /nfs/dbraw/zinc/27/83/91/352278391.db2.gz HVSMZXRAPYCNQJ-KOLCDFICSA-N 0 3 299.331 -0.391 20 5 CBBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1O ZINC000249602983 352369963 /nfs/dbraw/zinc/36/99/63/352369963.db2.gz YWLVQTFFFGLTPC-YUSALJHKSA-N 0 3 284.316 -0.145 20 5 CBBDHN C[C@@H](O)CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)CO ZINC000248885715 352357497 /nfs/dbraw/zinc/35/74/97/352357497.db2.gz DXRGRXIZCHQSOF-GHMZBOCLSA-N 0 3 299.327 -0.180 20 5 CBBDHN CN(CCOCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000282250314 352602092 /nfs/dbraw/zinc/60/20/92/352602092.db2.gz BZLPQSNEJNSPLH-UHFFFAOYSA-N 0 3 258.278 -0.268 20 5 CBBDHN C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N(C)C ZINC000298868969 352716889 /nfs/dbraw/zinc/71/68/89/352716889.db2.gz SOTHFAFGPDLKLI-MRVPVSSYSA-N 0 3 255.278 -0.142 20 5 CBBDHN CN(C)CCN(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331291131 352902124 /nfs/dbraw/zinc/90/21/24/352902124.db2.gz WIIFDJVDTASWRI-UHFFFAOYSA-N 0 3 256.266 -0.794 20 5 CBBDHN CN(C)C[C@](C)(O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000153451887 188083776 /nfs/dbraw/zinc/08/37/76/188083776.db2.gz VTYKAMIYNDTRGW-GFCCVEGCSA-N 0 3 299.331 -0.390 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCOCCN(C)C ZINC000349744432 353462422 /nfs/dbraw/zinc/46/24/22/353462422.db2.gz MLSZMVDKSONZFD-UHFFFAOYSA-N 0 3 299.331 -0.206 20 5 CBBDHN CN(CCC(N)=O)CCn1cc([N+](=O)[O-])ccc1=O ZINC000353193938 353527023 /nfs/dbraw/zinc/52/70/23/353527023.db2.gz CPTLPPAIKMTYHS-UHFFFAOYSA-N 0 3 268.273 -0.436 20 5 CBBDHN NCCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419830229 354081459 /nfs/dbraw/zinc/08/14/59/354081459.db2.gz GAERGGRUESVIAG-UHFFFAOYSA-N 0 3 292.295 -0.446 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN[C@H](CO)[C@@H]2CCCO2)c1 ZINC000447901820 354306063 /nfs/dbraw/zinc/30/60/63/354306063.db2.gz CWXKKFBJSDQPMO-MNOVXSKESA-N 0 3 270.289 -0.079 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CO)[C@H]2CCCO2)c1 ZINC000447901870 354306119 /nfs/dbraw/zinc/30/61/19/354306119.db2.gz CWXKKFBJSDQPMO-WDEREUQCSA-N 0 3 270.289 -0.079 20 5 CBBDHN CN1CCC[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000519596159 354563696 /nfs/dbraw/zinc/56/36/96/354563696.db2.gz KIBXWNZSBZUUKB-MNOVXSKESA-N 0 3 297.315 -0.637 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)C[C@@H]1CN ZINC000563101638 354696900 /nfs/dbraw/zinc/69/69/00/354696900.db2.gz KEQTVOSKDVQDGS-JTQLQIEISA-N 0 3 296.331 -0.799 20 5 CBBDHN N[C@@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)CCN2C1=O ZINC000563431262 354704259 /nfs/dbraw/zinc/70/42/59/354704259.db2.gz LRHMKMCLEJQBOI-NXEZZACHSA-N 0 3 277.284 -0.262 20 5 CBBDHN CC(C)NCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000573267315 354908975 /nfs/dbraw/zinc/90/89/75/354908975.db2.gz FCHLPILOPJTJBF-UHFFFAOYSA-N 0 3 255.278 -0.095 20 5 CBBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)NCCN(C)C ZINC000573837161 354922679 /nfs/dbraw/zinc/92/26/79/354922679.db2.gz OIXHPBNEXKNISP-MRVPVSSYSA-N 0 3 297.315 -0.281 20 5 CBBDHN CO[C@@H]1COC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000579350809 354968371 /nfs/dbraw/zinc/96/83/71/354968371.db2.gz UXCFNCPZJAPKKU-GHMZBOCLSA-N 0 3 283.284 -0.240 20 5 CBBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN(C)C ZINC000590369291 355075953 /nfs/dbraw/zinc/07/59/53/355075953.db2.gz ATOYCYBUEWJMDP-SECBINFHSA-N 0 3 282.300 -0.049 20 5 CBBDHN CN1C[C@@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590445759 355080957 /nfs/dbraw/zinc/08/09/57/355080957.db2.gz RPAWIOGWPCVYJC-DTWKUNHWSA-N 0 3 280.288 -0.651 20 5 CBBDHN CN(C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000589102100 355065605 /nfs/dbraw/zinc/06/56/05/355065605.db2.gz ZQNSGMPITWOSGQ-ZETCQYMHSA-N 0 3 283.288 -0.577 20 5 CBBDHN CC1(C)CNCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000591678529 355107663 /nfs/dbraw/zinc/10/76/63/355107663.db2.gz WQOWLOALZDGWGT-UHFFFAOYSA-N 0 3 268.277 -0.603 20 5 CBBDHN CCN1CC[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000591765805 355113270 /nfs/dbraw/zinc/11/32/70/355113270.db2.gz IUHGJWGZRPYNKR-WDEREUQCSA-N 0 3 297.315 -0.637 20 5 CBBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCN2C1=O ZINC000594873900 355266414 /nfs/dbraw/zinc/26/64/14/355266414.db2.gz QOMRCZFUNIBJMN-YUMQZZPRSA-N 0 3 294.267 -0.428 20 5 CBBDHN N[C@@H]1C[C@@H]2CN(c3ncc([N+](=O)[O-])s3)CCN2C1=O ZINC000594694785 355258260 /nfs/dbraw/zinc/25/82/60/355258260.db2.gz SZNCBGQSPKCJBP-RNFRBKRXSA-N 0 3 283.313 -0.201 20 5 CBBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000597574825 355397177 /nfs/dbraw/zinc/39/71/77/355397177.db2.gz SAOMBUQKPJISNI-LBPRGKRZSA-N 0 3 297.315 -0.153 20 5 CBBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1CNC1 ZINC000598914496 355455984 /nfs/dbraw/zinc/45/59/84/355455984.db2.gz GMYPCKKNSJDWND-UHFFFAOYSA-N 0 3 264.241 -0.379 20 5 CBBDHN COCCN(C)C[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601966315 355622751 /nfs/dbraw/zinc/62/27/51/355622751.db2.gz ZFMMKLDKFPKXCQ-VIFPVBQESA-N 0 3 258.278 -0.270 20 5 CBBDHN CN(C)[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1O ZINC000602836763 355674310 /nfs/dbraw/zinc/67/43/10/355674310.db2.gz IINFCMLYTBHMDX-UWVGGRQHSA-N 0 3 269.305 -0.565 20 5 CBBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000602838093 355674850 /nfs/dbraw/zinc/67/48/50/355674850.db2.gz PTDQJAVIWKRICJ-QWRGUYRKSA-N 0 3 283.332 -0.294 20 5 CBBDHN C[C@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CN1C1CC1 ZINC000610654049 355784498 /nfs/dbraw/zinc/78/44/98/355784498.db2.gz FROMOJQYFFCYCV-DTWKUNHWSA-N 0 3 294.315 -0.072 20 5 CBBDHN C[C@@H](CN(C)C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330669250 203097323 /nfs/dbraw/zinc/09/73/23/203097323.db2.gz CRHZVXFFJCHZMX-ZETCQYMHSA-N 0 3 256.266 -0.747 20 5 CBBDHN COCCN(C)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000171127643 372831545 /nfs/dbraw/zinc/83/15/45/372831545.db2.gz VRGBUZJSLOGRHF-UHFFFAOYSA-N 0 3 299.331 -0.206 20 5 CBBDHN CO[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361371677 373285577 /nfs/dbraw/zinc/28/55/77/373285577.db2.gz IKCQFSKWNDMRBJ-GHMZBOCLSA-N 0 3 270.289 -0.127 20 5 CBBDHN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000552077721 374259709 /nfs/dbraw/zinc/25/97/09/374259709.db2.gz VLUTWRHHFDUUAV-SSDOTTSWSA-N 0 3 298.303 -0.886 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358046265 248438555 /nfs/dbraw/zinc/43/85/55/248438555.db2.gz KOKOBGQZODHOQO-GFCCVEGCSA-N 0 3 297.315 -0.717 20 5 CBBDHN COCCN(C)CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347157655 218141091 /nfs/dbraw/zinc/14/10/91/218141091.db2.gz OYWOXPMBNBNCHZ-UHFFFAOYSA-N 0 3 285.304 -0.364 20 5 CBBDHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266527523 190264396 /nfs/dbraw/zinc/26/43/96/190264396.db2.gz DNZQKZJHWMTKFK-SNVBAGLBSA-N 0 3 258.278 -0.270 20 5 CBBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000266564202 190267311 /nfs/dbraw/zinc/26/73/11/190267311.db2.gz YXLBUENQGHFVFL-ONGXEEELSA-N 0 3 270.289 -0.127 20 5 CBBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000266564199 190267580 /nfs/dbraw/zinc/26/75/80/190267580.db2.gz YXLBUENQGHFVFL-MWLCHTKSSA-N 0 3 270.289 -0.127 20 5 CBBDHN O=[N+]([O-])c1ccn(CCN(CCO)CCCO)n1 ZINC000267074723 190301413 /nfs/dbraw/zinc/30/14/13/190301413.db2.gz LNLUKFMQJGFADO-UHFFFAOYSA-N 0 3 258.278 -0.532 20 5 CBBDHN CCN(CCO)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000347795400 218360378 /nfs/dbraw/zinc/36/03/78/218360378.db2.gz SCEVVJKQYADSCE-UHFFFAOYSA-N 0 3 299.331 -0.319 20 5 CBBDHN C[C@H]1C[C@@H](O)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429117924 208109293 /nfs/dbraw/zinc/10/92/93/208109293.db2.gz RFWFOFWRSKSFFB-DLOVCJGASA-N 0 3 284.316 -0.003 20 5 CBBDHN CN1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438796708 208311545 /nfs/dbraw/zinc/31/15/45/208311545.db2.gz XHAHHXKNSSGKJJ-GFCCVEGCSA-N 0 3 283.332 -0.210 20 5 CBBDHN CN1CCC(O)(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000354717909 220899933 /nfs/dbraw/zinc/89/99/33/220899933.db2.gz VIHXKSXBCPAOJQ-UHFFFAOYSA-N 0 3 297.315 -0.636 20 5 CBBDHN COCCN(C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000344278948 419772339 /nfs/dbraw/zinc/77/23/39/419772339.db2.gz YSVBTGUZYPVYOE-UHFFFAOYSA-N 0 3 299.331 -0.055 20 5 CBBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@@]1(CO)CCOC1 ZINC000359574063 419972233 /nfs/dbraw/zinc/97/22/33/419972233.db2.gz AZFFYNSNBKPKJN-LLVKDONJSA-N 0 3 270.289 -0.126 20 5 CBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CNCCO1 ZINC000519763313 420388081 /nfs/dbraw/zinc/38/80/81/420388081.db2.gz GCDJATABUJCCQA-SNVBAGLBSA-N 0 3 283.288 -0.714 20 5 CBBDHN CO[C@@H](CN)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000569601211 420452067 /nfs/dbraw/zinc/45/20/67/420452067.db2.gz VXEAAIAJDLJEOB-VIFPVBQESA-N 0 3 279.256 0.383 20 5 CBBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000572563232 420456621 /nfs/dbraw/zinc/45/66/21/420456621.db2.gz KODWHLKDZYJOEH-LBPRGKRZSA-N 0 3 297.315 -0.386 20 5 CBBDHN O=[N+]([O-])c1cnc2ccc(NCCN3CC[C@@H](O)C3)nn21 ZINC000599176374 420491238 /nfs/dbraw/zinc/49/12/38/420491238.db2.gz RYVIVPANFJAEIV-SECBINFHSA-N 0 3 292.299 0.116 20 5 CBBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](CN)C1 ZINC000571678081 328840167 /nfs/dbraw/zinc/84/01/67/328840167.db2.gz BHPFOXUPIGFQTA-SSDOTTSWSA-N 0 3 268.277 -0.967 20 5 CBBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000563820749 328521393 /nfs/dbraw/zinc/52/13/93/328521393.db2.gz XUEKIHUMDBTGBA-LBPRGKRZSA-N 0 3 295.299 -0.496 20 5 CBBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H](O)CO)c1 ZINC000561383135 327390496 /nfs/dbraw/zinc/39/04/96/327390496.db2.gz WXPCMEXYDPEBBB-MNOVXSKESA-N 0 3 286.284 -0.723 20 5 CBBDHN Cc1c(NC(=O)C(=O)NC2CNC2)cccc1[N+](=O)[O-] ZINC000570144545 327572269 /nfs/dbraw/zinc/57/22/69/327572269.db2.gz BLYTULVMCMQLCY-UHFFFAOYSA-N 0 3 278.268 -0.070 20 5 CBBDHN CCN(CC)S(=O)(=O)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813110157 582453919 /nfs/dbraw/zinc/45/39/19/582453919.db2.gz UAKGAJJKYYUHQE-MRVPVSSYSA-N 0 3 282.318 -0.134 20 5 CBBDHN CCCN(CCN(C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000355332548 528073331 /nfs/dbraw/zinc/07/33/31/528073331.db2.gz IOZOSORNYUXKCY-UHFFFAOYSA-N 0 3 284.320 -0.014 20 5 CBBDHN C[C@@](O)(CO)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134758093 582125195 /nfs/dbraw/zinc/12/51/95/582125195.db2.gz JPBODPDVMUNRBI-NEPJUHHUSA-N 0 3 270.285 -0.039 20 5 CBBDHN CC(C)[C@H](CN(C)C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000733167009 582161848 /nfs/dbraw/zinc/16/18/48/582161848.db2.gz LVOKPXIKLMFBMT-VIFPVBQESA-N 0 3 284.320 -0.111 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782616047 582369935 /nfs/dbraw/zinc/36/99/35/582369935.db2.gz LRGCNRLVKUOYHX-JLLWLGSASA-N 0 3 282.300 -0.534 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000808174868 582441939 /nfs/dbraw/zinc/44/19/39/582441939.db2.gz VZFGMIONOLOTNQ-QMMMGPOBSA-N 0 3 282.300 -0.171 20 5 CBBDHN CC(COC(=O)CCN1CCCS1(=O)=O)[N+](=O)[O-] ZINC000813106913 582453852 /nfs/dbraw/zinc/45/38/52/582453852.db2.gz JINNGYUSPOKLAJ-QMMMGPOBSA-N 0 3 280.302 -0.380 20 5 CBBDHN CC(COC(=O)Cn1cc([N+](=O)[O-])cn1)[N+](=O)[O-] ZINC000813108676 582453909 /nfs/dbraw/zinc/45/39/09/582453909.db2.gz JPNGGVHSMJWDNH-ZCFIWIBFSA-N 0 3 258.190 0.000 20 5 CBBDHN CC(COC(=O)CN1CCCS1(=O)=O)[N+](=O)[O-] ZINC000813106822 582453917 /nfs/dbraw/zinc/45/39/17/582453917.db2.gz IILAYEFIGWIXEW-ZETCQYMHSA-N 0 3 266.275 -0.770 20 5 CBBDHN CC(COC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[N+](=O)[O-] ZINC000813114047 582453942 /nfs/dbraw/zinc/45/39/42/582453942.db2.gz YAPVNDNNFAOJGB-JVXZTZIISA-N 0 3 299.283 -0.085 20 5 CBBDHN CC(COC(=O)Cn1ccc([N+](=O)[O-])n1)[N+](=O)[O-] ZINC000813111310 582453977 /nfs/dbraw/zinc/45/39/77/582453977.db2.gz REFJSPAIFYKWFI-LURJTMIESA-N 0 3 258.190 0.000 20 5 CBBDHN CC(COC(=O)CS(=O)(=O)NC(C)(C)C)[N+](=O)[O-] ZINC000813115149 582453989 /nfs/dbraw/zinc/45/39/89/582453989.db2.gz LGONMPOYBNHVPE-ZETCQYMHSA-N 0 3 282.318 -0.087 20 5 CBBDHN CCS(=O)(=O)CCNCCn1cc([N+](=O)[O-])cn1 ZINC000819175992 582528193 /nfs/dbraw/zinc/52/81/93/582528193.db2.gz FUDCISVUVSCGRS-UHFFFAOYSA-N 0 3 276.318 -0.184 20 5 CBBDHN Cn1nnnc1CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819206625 582528766 /nfs/dbraw/zinc/52/87/66/582528766.db2.gz YZQDWROIRYCCTH-LLVKDONJSA-N 0 3 292.299 -0.016 20 5 CBBDHN Cn1ncc([N+](=O)[O-])c1-c1nc(N2CCNCC2)no1 ZINC000823334999 582667107 /nfs/dbraw/zinc/66/71/07/582667107.db2.gz PDJITUJSNLCKKZ-UHFFFAOYSA-N 0 3 279.260 -0.212 20 5 CBBDHN CC(COC(=O)[C@@H]1CCN(C)S1(=O)=O)[N+](=O)[O-] ZINC000842802313 583194677 /nfs/dbraw/zinc/19/46/77/583194677.db2.gz UWCAAJUCSQOPSC-BQBZGAKWSA-N 0 3 266.275 -0.771 20 5 CBBDHN C[C@](O)(CO)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843080917 583200707 /nfs/dbraw/zinc/20/07/07/583200707.db2.gz MIKYUOHNSMRQAT-NWDGAFQWSA-N 0 3 270.285 -0.039 20 5 CBBDHN CN(C)CCN1CCN(Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000844715532 583278230 /nfs/dbraw/zinc/27/82/30/583278230.db2.gz YPIXYYNZMPEMHG-UHFFFAOYSA-N 0 3 296.331 -0.545 20 5 CBBDHN CC(COC(=O)Cn1nc2n(c1=O)CCCC2)[N+](=O)[O-] ZINC000845574877 583328262 /nfs/dbraw/zinc/32/82/62/583328262.db2.gz DWYFIPLKBCZLTJ-QMMMGPOBSA-N 0 3 284.272 -0.411 20 5 CBBDHN CC(COC(=O)c1ccc(-n2cnnn2)cn1)[N+](=O)[O-] ZINC000847714128 583414949 /nfs/dbraw/zinc/41/49/49/583414949.db2.gz KZYHVDWHTSOOGZ-SSDOTTSWSA-N 0 3 278.228 -0.121 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854467337 583604630 /nfs/dbraw/zinc/60/46/30/583604630.db2.gz FFXUPLLWXLPPOK-ZYHUDNBSSA-N 0 3 297.311 -0.333 20 5 CBBDHN Cc1n[nH]c(C(=O)NOCCN(C)C)c1[N+](=O)[O-] ZINC000854945143 583628873 /nfs/dbraw/zinc/62/88/73/583628873.db2.gz CNYCNPMNDAYSIL-UHFFFAOYSA-N 0 3 257.250 -0.151 20 5 CBBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccn[nH]2)C1 ZINC000954234395 615867427 /nfs/dbraw/zinc/86/74/27/615867427.db2.gz ATUOUJHWTYKTHD-PSASIEDQSA-N 0 3 293.283 -0.642 20 5 CBBDHN CN1CCC[C@H]1C(=O)N1CCN(CC[N+](=O)[O-])CC1 ZINC000929847613 659181572 /nfs/dbraw/zinc/18/15/72/659181572.db2.gz XXJQFZNLHBMORU-NSHDSACASA-N 0 3 270.333 -0.499 20 5 CBBDHN NC(=O)[C@@H](O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228681500 790436134 /nfs/dbraw/zinc/43/61/34/790436134.db2.gz IUXRARSVPVCQJO-ZJUUUORDSA-N 0 3 269.257 -0.936 20 5 CBBDHN O=C(N[C@H]1C[C@@H](NCc2ncccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064100 790986644 /nfs/dbraw/zinc/98/66/44/790986644.db2.gz WIBNIKPRJHTQCI-LMLFDSFASA-N 0 3 291.311 -0.121 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001325268168 804268062 /nfs/dbraw/zinc/26/80/62/804268062.db2.gz KMLQJIZHIXTDNZ-SNVBAGLBSA-N 0 3 269.261 -0.886 20 5 CBBDHN CC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154037372 815195806 /nfs/dbraw/zinc/19/58/06/815195806.db2.gz ZNSHYFIXAPNAMI-UHFFFAOYSA-N 0 3 255.278 -0.056 20 5 CBBDHN CC[C@@]([NH3+])(CO)[N-]c1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001159744349 815591328 /nfs/dbraw/zinc/59/13/28/815591328.db2.gz VBXJKMUWWUMBJL-JTQLQIEISA-N 0 3 287.276 -0.129 20 5 CBBDHN COc1ncnc(-n2nncc2CN)c1[N+](=O)[O-] ZINC001158423683 815527790 /nfs/dbraw/zinc/52/77/90/815527790.db2.gz XZFPJYRCAVFVBW-UHFFFAOYSA-N 0 3 251.206 -0.567 20 5 CBBDHN COC(=O)c1ccnc(-n2nncc2CN)c1[N+](=O)[O-] ZINC001158422577 815527984 /nfs/dbraw/zinc/52/79/84/815527984.db2.gz CGPOCAUMGWTBEF-UHFFFAOYSA-N 0 3 278.228 -0.184 20 5 CBBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2nncc2CN)n1 ZINC001158426936 815528996 /nfs/dbraw/zinc/52/89/96/815528996.db2.gz JCDBDUUQODTQQP-UHFFFAOYSA-N 0 3 292.259 -0.309 20 5 CBBDHN CNC(=O)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126161402 813620030 /nfs/dbraw/zinc/62/00/30/813620030.db2.gz KMKKWTGOLYOSSN-UHFFFAOYSA-N 0 3 294.311 -0.063 20 5 CBBDHN COc1nccc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936677 813697811 /nfs/dbraw/zinc/69/78/11/813697811.db2.gz QGSQIZIARBZAQS-NXEZZACHSA-N 0 3 295.299 -0.644 20 5 CBBDHN CN1CCN(C)[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001136761559 814572096 /nfs/dbraw/zinc/57/20/96/814572096.db2.gz PWKXCONCGUXNDB-OPRDCNLKSA-N 0 3 256.306 -0.986 20 5 CBBDHN O=C(N[C@H](CO)CN1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001141653620 814663237 /nfs/dbraw/zinc/66/32/37/814663237.db2.gz GAEQXLAERUHOGG-QMMMGPOBSA-N 0 3 283.288 -0.496 20 5 CBBDHN COc1ccnc([N-][C@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001163240812 815871125 /nfs/dbraw/zinc/87/11/25/815871125.db2.gz WOOJFRJLCVPAIR-QPUJVOFHSA-N 0 3 293.283 -0.012 20 5 CBBDHN CC(C)(O)C1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001320493425 817345985 /nfs/dbraw/zinc/34/59/85/817345985.db2.gz BMXXZUBJIPMPHS-LLVKDONJSA-N 0 3 284.316 -0.145 20 5 CBBDHN CN1CC[C@](O)(CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC001320513246 817347817 /nfs/dbraw/zinc/34/78/17/817347817.db2.gz JLWWVOXVBXFBLV-JTQLQIEISA-N 0 3 269.261 -0.886 20 5 CBBDHN CN([C@H]1CC[C@H](C[N+](=O)[O-])C1)S(=O)(=O)CCN ZINC001168966474 820197275 /nfs/dbraw/zinc/19/72/75/820197275.db2.gz IKFQJEBBIMUUGC-IUCAKERBSA-N 0 3 265.335 -0.348 20 5 CBBDHN NCCS(=O)(=O)N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966005 820197855 /nfs/dbraw/zinc/19/78/55/820197855.db2.gz FQRQRCXFZPNSGW-HTQZYQBOSA-N 0 3 251.308 -0.690 20 5 CBBDHN NCc1cnnn1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001169304497 820226155 /nfs/dbraw/zinc/22/61/55/820226155.db2.gz WUILJEXQVAMVJW-UHFFFAOYSA-N 0 3 270.636 -0.079 20 5 CBBDHN NC(=O)[C@@H](CO)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169332500 820237708 /nfs/dbraw/zinc/23/77/08/820237708.db2.gz PZBPKZIXBXZCDP-SECBINFHSA-N 0 3 266.257 -0.544 20 5 CBBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)n1)[C@H]1CNCCO1 ZINC001170564567 820306340 /nfs/dbraw/zinc/30/63/40/820306340.db2.gz QGHSIZBVLIEVGX-IONNQARKSA-N 0 3 295.299 -0.123 20 5 CBBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)[C@@H]1CNCCO1 ZINC001170565225 820306899 /nfs/dbraw/zinc/30/68/99/820306899.db2.gz UKCPESCBKXOZME-XVKPBYJWSA-N 0 3 295.299 -0.123 20 5 CBBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)n1)[C@@H]1CNCCO1 ZINC001170564563 820307091 /nfs/dbraw/zinc/30/70/91/820307091.db2.gz QGHSIZBVLIEVGX-APPZFPTMSA-N 0 3 295.299 -0.123 20 5 CBBDHN O=[N+]([O-])c1ccn(CCN2C[C@H](CO)[C@H](CO)C2)n1 ZINC001175568832 820429875 /nfs/dbraw/zinc/42/98/75/820429875.db2.gz GUFVYKNMMBNXLA-AOOOYVTPSA-N 0 3 270.289 -0.676 20 5 CBBDHN NC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC001196092547 824148275 /nfs/dbraw/zinc/14/82/75/824148275.db2.gz INAXHTUOIYMNLX-GHMZBOCLSA-N 0 3 292.295 -0.387 20 5 CBBDHN NCCS(=O)(=O)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572568 825965605 /nfs/dbraw/zinc/96/56/05/825965605.db2.gz QCUHDLIVPNMRHU-JTQLQIEISA-N 0 3 285.325 -0.060 20 5 CBBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCOC2(CNC2)C1 ZINC001350454225 890987952 /nfs/dbraw/zinc/98/79/52/890987952.db2.gz GKCUDKOVRFLBHE-UHFFFAOYSA-N 0 3 281.272 -0.857 20 5 CBBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC001454609450 914234243 /nfs/dbraw/zinc/23/42/43/914234243.db2.gz XINMSPNJLCDIEJ-QMMMGPOBSA-N 0 3 297.315 -0.107 20 5 CBBDHN NC(=O)[C@@]1(O)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000375701403 230249224 /nfs/dbraw/zinc/24/92/24/230249224.db2.gz NIKGBVWBYGAOHX-CYBMUJFWSA-N 0 3 295.295 -0.104 20 5 CBBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000274584042 352541948 /nfs/dbraw/zinc/54/19/48/352541948.db2.gz TUTKCOYOHJZUTN-UHFFFAOYSA-N 0 3 270.289 -0.033 20 5 CBBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000352119218 219327620 /nfs/dbraw/zinc/32/76/20/219327620.db2.gz CTUHLPMZTBNEKS-LLVKDONJSA-N 0 3 285.304 -0.250 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](O)CC2)c1 ZINC000339782178 215338655 /nfs/dbraw/zinc/33/86/55/215338655.db2.gz WXKGXNOSZBQAGF-VXGBXAGGSA-N 0 3 284.316 -0.001 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN(C)C ZINC000068467434 351618949 /nfs/dbraw/zinc/61/89/49/351618949.db2.gz YYDBVINQDFTPQQ-UHFFFAOYSA-N 0 3 255.278 -0.222 20 5 CBBDHN CN(CCn1cccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075722017 351671269 /nfs/dbraw/zinc/67/12/69/351671269.db2.gz KBQSDJNKQWLULL-GFCCVEGCSA-N 0 3 294.315 -0.019 20 5 CBBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)nc1 ZINC000095091929 351767882 /nfs/dbraw/zinc/76/78/82/351767882.db2.gz KRZFDGLIDPHKAJ-ZETCQYMHSA-N 0 3 272.286 -0.370 20 5 CBBDHN CC(C)N(CCN(C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000151922802 351937904 /nfs/dbraw/zinc/93/79/04/351937904.db2.gz MWPVLBAYIMGELG-UHFFFAOYSA-N 0 3 284.320 -0.015 20 5 CBBDHN CC(C)(C)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000173343293 352035663 /nfs/dbraw/zinc/03/56/63/352035663.db2.gz KQGGEECLPNTXGR-VHSXEESVSA-N 0 3 299.331 -0.358 20 5 CBBDHN C[C@@H](O)CN(CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CO ZINC000190817004 352184140 /nfs/dbraw/zinc/18/41/40/352184140.db2.gz QMSURNZKPXZMGW-VHSXEESVSA-N 0 3 272.305 -0.145 20 5 CBBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000212705205 352229740 /nfs/dbraw/zinc/22/97/40/352229740.db2.gz WMFMJOIMQYRQBI-UHFFFAOYSA-N 0 3 270.289 -0.101 20 5 CBBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000228747122 352265213 /nfs/dbraw/zinc/26/52/13/352265213.db2.gz MIXSHMBGJAHROT-LLVKDONJSA-N 0 3 270.289 -0.035 20 5 CBBDHN C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)CN1 ZINC000237443429 352304818 /nfs/dbraw/zinc/30/48/18/352304818.db2.gz HJLYDTPTBZYAMO-HTQZYQBOSA-N 0 3 268.277 -0.605 20 5 CBBDHN C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)CN1 ZINC000237615756 352307958 /nfs/dbraw/zinc/30/79/58/352307958.db2.gz HJLYDTPTBZYAMO-YUMQZZPRSA-N 0 3 268.277 -0.605 20 5 CBBDHN C[C@@]1(O)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245880912 352325519 /nfs/dbraw/zinc/32/55/19/352325519.db2.gz ICPORKCTRWXGMI-VXGBXAGGSA-N 0 3 284.316 -0.001 20 5 CBBDHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249616185 352369689 /nfs/dbraw/zinc/36/96/89/352369689.db2.gz SUXYVRUSVAJWFD-FBIMIBRVSA-N 0 3 297.315 -0.734 20 5 CBBDHN O=[N+]([O-])c1cnn(CCN2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287623109 352658308 /nfs/dbraw/zinc/65/83/08/352658308.db2.gz ZWUBESRXISWXRO-NXEZZACHSA-N 0 3 270.289 -0.391 20 5 CBBDHN O=c1ccc([N+](=O)[O-])cn1CCN1[C@@H](CO)CC[C@@H]1CO ZINC000287614815 352658566 /nfs/dbraw/zinc/65/85/66/352658566.db2.gz ZMLMSMLIBZNTOX-VXGBXAGGSA-N 0 3 297.311 -0.426 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](O)C2)c1 ZINC000304289840 352746420 /nfs/dbraw/zinc/74/64/20/352746420.db2.gz BYJJXERTCMSEHA-VHSXEESVSA-N 0 3 256.262 -0.781 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](CO)C2)c1 ZINC000304380530 352746657 /nfs/dbraw/zinc/74/66/57/352746657.db2.gz YFEHPDRWCVORFL-ZYHUDNBSSA-N 0 3 284.316 -0.144 20 5 CBBDHN CCN1CCN(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000331018303 352867190 /nfs/dbraw/zinc/86/71/90/352867190.db2.gz ZAEFRBWXSWOCEY-UHFFFAOYSA-N 0 3 296.331 -0.315 20 5 CBBDHN CCN1CCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000331018303 352867195 /nfs/dbraw/zinc/86/71/95/352867195.db2.gz ZAEFRBWXSWOCEY-UHFFFAOYSA-N 0 3 296.331 -0.315 20 5 CBBDHN C[C@H]1CN(C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256443 352897561 /nfs/dbraw/zinc/89/75/61/352897561.db2.gz WKMZPVSXSYSIOG-CMPLNLGQSA-N 0 3 283.332 -0.212 20 5 CBBDHN COCCN1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000340948717 353194119 /nfs/dbraw/zinc/19/41/19/353194119.db2.gz GCEFGOSXDSRQLB-VIFPVBQESA-N 0 3 298.303 -0.977 20 5 CBBDHN C[C@H](CN(C)C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000346238117 353367276 /nfs/dbraw/zinc/36/72/76/353367276.db2.gz ZXBDWHCJTLLIEU-SECBINFHSA-N 0 3 282.300 -0.177 20 5 CBBDHN CN1CC[C@@]2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)C1 ZINC000346303190 353370460 /nfs/dbraw/zinc/37/04/60/353370460.db2.gz WUPGZPWPDOLJSW-GFCCVEGCSA-N 0 3 294.315 -0.260 20 5 CBBDHN CN1CC[C@]2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)C1 ZINC000346303192 353370603 /nfs/dbraw/zinc/37/06/03/353370603.db2.gz WUPGZPWPDOLJSW-LBPRGKRZSA-N 0 3 294.315 -0.260 20 5 CBBDHN C[C@@H]1CCN(C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354006707 353538257 /nfs/dbraw/zinc/53/82/57/353538257.db2.gz NCTFHCWMWNHADI-SECBINFHSA-N 0 3 282.304 -0.261 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000358046027 353620912 /nfs/dbraw/zinc/62/09/12/353620912.db2.gz KBTCZWIFLDSBRV-GFCCVEGCSA-N 0 3 282.300 -0.270 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358046273 353621582 /nfs/dbraw/zinc/62/15/82/353621582.db2.gz KOKOBGQZODHOQO-LBPRGKRZSA-N 0 3 297.315 -0.717 20 5 CBBDHN C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N(C)C ZINC000357858376 353610164 /nfs/dbraw/zinc/61/01/64/353610164.db2.gz AHUJTLOMLQGLAD-ZETCQYMHSA-N 0 3 256.266 -0.747 20 5 CBBDHN Nc1ccc(N2CCN3C[C@H](O)C[C@H]3C2)nc1[N+](=O)[O-] ZINC000405288335 353807371 /nfs/dbraw/zinc/80/73/71/353807371.db2.gz YRHPTGPFEADOFY-DTWKUNHWSA-N 0 3 279.300 -0.173 20 5 CBBDHN COCC(COC)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000388482235 353789587 /nfs/dbraw/zinc/78/95/87/353789587.db2.gz VWRODZOQIVHWLO-LLVKDONJSA-N 0 3 288.304 -0.597 20 5 CBBDHN CN(C)[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1O ZINC000565370795 354736877 /nfs/dbraw/zinc/73/68/77/354736877.db2.gz MCAQQRRFEUYNMH-WPRPVWTQSA-N 0 3 269.305 -0.565 20 5 CBBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000590445762 355080832 /nfs/dbraw/zinc/08/08/32/355080832.db2.gz RPAWIOGWPCVYJC-IUCAKERBSA-N 0 3 280.288 -0.651 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000588863655 355062442 /nfs/dbraw/zinc/06/24/42/355062442.db2.gz BIZLZDCHSJZIEZ-SECBINFHSA-N 0 3 285.304 -0.780 20 5 CBBDHN CC(C)[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1 ZINC000592543532 355160093 /nfs/dbraw/zinc/16/00/93/355160093.db2.gz FRUGVSHZTRVSHV-SECBINFHSA-N 0 3 282.304 -0.357 20 5 CBBDHN NC[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(F)(F)F ZINC000594451128 355248641 /nfs/dbraw/zinc/24/86/41/355248641.db2.gz LLFHBKYPJWIVJO-SCSAIBSYSA-N 0 3 267.167 -0.063 20 5 CBBDHN N[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[C@H]1F ZINC000595261407 355275574 /nfs/dbraw/zinc/27/55/74/355275574.db2.gz ZFBQRPPDCSSKCJ-HTQZYQBOSA-N 0 3 271.252 -0.311 20 5 CBBDHN [NH3+][C@H](CO)Cc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594652775 355256681 /nfs/dbraw/zinc/25/66/81/355256681.db2.gz OGVHKYMQDPISMU-ZETCQYMHSA-N 0 3 279.256 -0.257 20 5 CBBDHN N[C@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])s3)CCN2C1=O ZINC000594694783 355258369 /nfs/dbraw/zinc/25/83/69/355258369.db2.gz SZNCBGQSPKCJBP-BQBZGAKWSA-N 0 3 283.313 -0.201 20 5 CBBDHN Cn1c(C(=O)N2CCOC3(CNC3)C2)ccc1[N+](=O)[O-] ZINC000596097182 355343789 /nfs/dbraw/zinc/34/37/89/355343789.db2.gz FYARXNVHRGZMBS-UHFFFAOYSA-N 0 3 280.284 -0.252 20 5 CBBDHN CCc1n[nH]c(C(=O)N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000597654995 355403486 /nfs/dbraw/zinc/40/34/86/355403486.db2.gz XBVNWBCWAIMDIJ-ZETCQYMHSA-N 0 3 285.304 -0.467 20 5 CBBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597654218 355403496 /nfs/dbraw/zinc/40/34/96/355403496.db2.gz PSCQSZJBWZLISZ-ZETCQYMHSA-N 0 3 256.262 -0.425 20 5 CBBDHN CN(C)C[C@H](CO)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597652403 355403833 /nfs/dbraw/zinc/40/38/33/355403833.db2.gz AZWZCKLFESDQBW-SECBINFHSA-N 0 3 299.331 -0.435 20 5 CBBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN(C)C)n1 ZINC000597655570 355404629 /nfs/dbraw/zinc/40/46/29/355404629.db2.gz YPZBUPOGESUKJE-MRVPVSSYSA-N 0 3 285.304 -0.537 20 5 CBBDHN CC(C)[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1 ZINC000598569866 355445574 /nfs/dbraw/zinc/44/55/74/355445574.db2.gz FRUGVSHZTRVSHV-VIFPVBQESA-N 0 3 282.304 -0.357 20 5 CBBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643639 355505771 /nfs/dbraw/zinc/50/57/71/355505771.db2.gz BIDMCIXGZPICSW-DTORHVGOSA-N 0 3 267.289 -0.013 20 5 CBBDHN O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000600530517 355556866 /nfs/dbraw/zinc/55/68/66/355556866.db2.gz HPSVCSDIFGLSFQ-MRVPVSSYSA-N 0 3 268.273 -0.281 20 5 CBBDHN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000600530517 355556871 /nfs/dbraw/zinc/55/68/71/355556871.db2.gz HPSVCSDIFGLSFQ-MRVPVSSYSA-N 0 3 268.273 -0.281 20 5 CBBDHN O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])n[n-]1 ZINC000600530431 355557053 /nfs/dbraw/zinc/55/70/53/355557053.db2.gz BBSARXISUJYFPT-SSDOTTSWSA-N 0 3 269.261 -0.886 20 5 CBBDHN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])n[n-]1 ZINC000600530431 355557056 /nfs/dbraw/zinc/55/70/56/355557056.db2.gz BBSARXISUJYFPT-SSDOTTSWSA-N 0 3 269.261 -0.886 20 5 CBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCN(CC2CC2)C1 ZINC000609383435 355769021 /nfs/dbraw/zinc/76/90/21/355769021.db2.gz NUZZCWVONIEGAL-SNVBAGLBSA-N 0 3 294.315 -0.213 20 5 CBBDHN CN1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000604532470 355725791 /nfs/dbraw/zinc/72/57/91/355725791.db2.gz PIDSPGUGHAEMSA-SNVBAGLBSA-N 0 3 294.311 -0.033 20 5 CBBDHN C[C@@H]1CCNC(=O)[C@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249616186 283573532 /nfs/dbraw/zinc/57/35/32/283573532.db2.gz SUXYVRUSVAJWFD-IEBDPFPHSA-N 0 3 297.315 -0.734 20 5 CBBDHN CCN(CCO)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000183975336 189373420 /nfs/dbraw/zinc/37/34/20/189373420.db2.gz ZKERYOAUOLDIMS-UHFFFAOYSA-N 0 3 271.277 -0.638 20 5 CBBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC(O)C1 ZINC000331609266 204009976 /nfs/dbraw/zinc/00/99/76/204009976.db2.gz PAUXQGINEIXBKG-RFBVYIQQSA-N 0 3 270.289 -0.393 20 5 CBBDHN CN(C)CCOCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554863487 374284712 /nfs/dbraw/zinc/28/47/12/374284712.db2.gz KCTSNDSNENJWQG-UHFFFAOYSA-N 0 3 271.277 -0.374 20 5 CBBDHN COCCN(CCN(C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000264188810 190095298 /nfs/dbraw/zinc/09/52/98/190095298.db2.gz OCJDAPNAWWYODA-UHFFFAOYSA-N 0 3 299.331 -0.172 20 5 CBBDHN COCCN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000264584179 190120508 /nfs/dbraw/zinc/12/05/08/190120508.db2.gz UZEKMAHBWWVKOM-JTQLQIEISA-N 0 3 297.315 -0.372 20 5 CBBDHN COCCNCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000237276273 248164832 /nfs/dbraw/zinc/16/48/32/248164832.db2.gz SOQUSFDRDRTDSJ-UHFFFAOYSA-N 0 3 285.304 -0.466 20 5 CBBDHN CN1CC[C@@](O)(CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357451132 248365029 /nfs/dbraw/zinc/36/50/29/248365029.db2.gz FTMUKDCJFXOPSC-GFCCVEGCSA-N 0 3 295.299 -0.433 20 5 CBBDHN CCn1cc(S(=O)(=O)N(C)C2CNC2)c([N+](=O)[O-])n1 ZINC000357488352 248369859 /nfs/dbraw/zinc/36/98/59/248369859.db2.gz TUQGYKPBFLNUHV-UHFFFAOYSA-N 0 3 289.317 -0.597 20 5 CBBDHN CO[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000267639536 190343332 /nfs/dbraw/zinc/34/33/32/190343332.db2.gz IKCQFSKWNDMRBJ-QWRGUYRKSA-N 0 3 270.289 -0.127 20 5 CBBDHN CO[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000267639534 190343532 /nfs/dbraw/zinc/34/35/32/190343532.db2.gz IKCQFSKWNDMRBJ-MNOVXSKESA-N 0 3 270.289 -0.127 20 5 CBBDHN CCN(CCO)CCNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427687737 208068265 /nfs/dbraw/zinc/06/82/65/208068265.db2.gz ACEMBCXLQRWVKT-UHFFFAOYSA-N 0 3 299.331 -0.145 20 5 CBBDHN CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O ZINC000440964166 208348050 /nfs/dbraw/zinc/34/80/50/208348050.db2.gz NLPBFMHJEJIQKK-WDEREUQCSA-N 0 3 297.315 -0.637 20 5 CBBDHN O=C1NC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@H]12 ZINC000368232768 420128133 /nfs/dbraw/zinc/12/81/33/420128133.db2.gz SYZIAYHVIBYADT-ONGXEEELSA-N 0 3 279.300 -0.141 20 5 CBBDHN Nc1nc(NC[C@H]2CCCN2CCCO)ncc1[N+](=O)[O-] ZINC000450600279 420299605 /nfs/dbraw/zinc/29/96/05/420299605.db2.gz VGTOFNJDQSSTFA-SECBINFHSA-N 0 3 296.331 -0.352 20 5 CBBDHN [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[n-]3)CCN2C1=O ZINC000519613886 420384558 /nfs/dbraw/zinc/38/45/58/420384558.db2.gz LJSRUQLAUWBCJW-JGVFFNPUSA-N 0 3 293.283 -0.693 20 5 CBBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCN2C1=O ZINC000519613886 420384562 /nfs/dbraw/zinc/38/45/62/420384562.db2.gz LJSRUQLAUWBCJW-JGVFFNPUSA-N 0 3 293.283 -0.693 20 5 CBBDHN CN(C)[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1O ZINC000565494093 420443239 /nfs/dbraw/zinc/44/32/39/420443239.db2.gz ZAKRDFMFILIGAU-IUCAKERBSA-N 0 3 295.299 -0.681 20 5 CBBDHN Nc1nc(N2CCN3C[C@H](O)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000594601631 420486140 /nfs/dbraw/zinc/48/61/40/420486140.db2.gz FEPNHGKIEVSLPW-JGVFFNPUSA-N 0 3 280.288 -0.778 20 5 CBBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)nc1 ZINC000599175649 420491444 /nfs/dbraw/zinc/49/14/44/420491444.db2.gz GRYQBCGUTGSLJF-SNVBAGLBSA-N 0 3 252.274 0.468 20 5 CBBDHN Nc1ccc(NCCN2CC[C@H](O)C2)nc1[N+](=O)[O-] ZINC000599199658 420491818 /nfs/dbraw/zinc/49/18/18/420491818.db2.gz ORPFGUQNKZXXHQ-QMMMGPOBSA-N 0 3 267.289 0.051 20 5 CBBDHN COCC(COC)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000388482236 327883586 /nfs/dbraw/zinc/88/35/86/327883586.db2.gz VWRODZOQIVHWLO-NSHDSACASA-N 0 3 288.304 -0.597 20 5 CBBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC(CO)CO ZINC000575400999 335100812 /nfs/dbraw/zinc/10/08/12/335100812.db2.gz CMVRVHOVCGHXJJ-SNVBAGLBSA-N 0 3 286.284 -0.723 20 5 CBBDHN NC(=O)[C@@H](O)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577221270 335325478 /nfs/dbraw/zinc/32/54/78/335325478.db2.gz KPXUBADIHSMBPX-JTQLQIEISA-N 0 3 296.283 -0.641 20 5 CBBDHN Cc1nn(C)c(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000577887145 335417315 /nfs/dbraw/zinc/41/73/15/335417315.db2.gz GKIIIQGYLOHIGA-BDAKNGLRSA-N 0 3 294.315 -0.615 20 5 CBBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C)C[C@H]1CN ZINC000578235911 335590188 /nfs/dbraw/zinc/59/01/88/335590188.db2.gz JEYUXNAOKCTFFL-MRVPVSSYSA-N 0 3 282.304 -0.957 20 5 CBBDHN C[C@H](CNCCn1cc([N+](=O)[O-])cn1)S(C)(=O)=O ZINC000578619175 335654448 /nfs/dbraw/zinc/65/44/48/335654448.db2.gz DBBKHRNPKBIRQR-MRVPVSSYSA-N 0 3 276.318 -0.186 20 5 CBBDHN CN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](CN)C1 ZINC000581883045 336159005 /nfs/dbraw/zinc/15/90/05/336159005.db2.gz FGDRRHVKTCMTML-JTQLQIEISA-N 0 3 296.331 -0.717 20 5 CBBDHN C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000743272072 582276360 /nfs/dbraw/zinc/27/63/60/582276360.db2.gz MANSSKMJJGVFOF-JQWIXIFHSA-N 0 3 283.332 -0.212 20 5 CBBDHN CC(COC(=O)c1cn(C)c(=O)[nH]c1=O)[N+](=O)[O-] ZINC000813108438 582453914 /nfs/dbraw/zinc/45/39/14/582453914.db2.gz FXCQCBCWXSARAF-RXMQYKEDSA-N 0 3 257.202 -0.692 20 5 CBBDHN CC(COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)[N+](=O)[O-] ZINC000813115758 582453936 /nfs/dbraw/zinc/45/39/36/582453936.db2.gz ZFIVUSNWONALEJ-ZJELKQJVSA-N 0 3 297.267 -0.694 20 5 CBBDHN CC(COC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[N+](=O)[O-] ZINC000813114046 582453949 /nfs/dbraw/zinc/45/39/49/582453949.db2.gz YAPVNDNNFAOJGB-JMCQJSRRSA-N 0 3 299.283 -0.085 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1Cc1nc(N2CCNCC2)no1 ZINC000823334161 582667078 /nfs/dbraw/zinc/66/70/78/582667078.db2.gz AXBAAUCSMUBQNV-UHFFFAOYSA-N 0 3 293.287 -0.059 20 5 CBBDHN CNC(=O)[C@@H](O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843109838 583202068 /nfs/dbraw/zinc/20/20/68/583202068.db2.gz HFVUUXZECYCNJO-MNOVXSKESA-N 0 3 283.284 -0.675 20 5 CBBDHN CNC(=O)[C@H](O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843112169 583202847 /nfs/dbraw/zinc/20/28/47/583202847.db2.gz WUDZHCMTUYLVLN-WDEREUQCSA-N 0 3 283.284 -0.675 20 5 CBBDHN CNC(=O)[C@@H](O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843112168 583203082 /nfs/dbraw/zinc/20/30/82/583203082.db2.gz WUDZHCMTUYLVLN-QWRGUYRKSA-N 0 3 283.284 -0.675 20 5 CBBDHN CN(C)CCONC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848159838 583434708 /nfs/dbraw/zinc/43/47/08/583434708.db2.gz KEQLRMFTUNVVAJ-UHFFFAOYSA-N 0 3 269.261 -0.205 20 5 CBBDHN C[C@@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000928447577 659023373 /nfs/dbraw/zinc/02/33/73/659023373.db2.gz KZNJUUDLIITELC-KOLCDFICSA-N 0 3 294.311 -0.035 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H](O)C(F)(F)F)c1 ZINC000236537653 656115667 /nfs/dbraw/zinc/11/56/67/656115667.db2.gz NMUANVMADOYGAB-YUMQZZPRSA-N 0 3 298.221 -0.335 20 5 CBBDHN COCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001017544106 657767478 /nfs/dbraw/zinc/76/74/78/657767478.db2.gz KXSYGOMJUDFXGL-WRWGMCAJSA-N 0 3 283.328 -0.027 20 5 CBBDHN NC(=O)CCN[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000916577337 657780258 /nfs/dbraw/zinc/78/02/58/657780258.db2.gz RVHVSNNYMORZNU-JQWIXIFHSA-N 0 3 283.284 -0.546 20 5 CBBDHN Cc1nonc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138918 658016931 /nfs/dbraw/zinc/01/69/31/658016931.db2.gz IAVLKOIYBNTMGM-TURQNECASA-N 0 3 295.299 -0.220 20 5 CBBDHN O=C(N[C@H]1C[C@@H](NCc2nncs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064149 790986608 /nfs/dbraw/zinc/98/66/08/790986608.db2.gz YJPZFHIOIMFWMV-BZNPZCIMSA-N 0 3 297.340 -0.060 20 5 CBBDHN O=C(N[C@@H]1[C@H]2CN(CCF)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775459 798975645 /nfs/dbraw/zinc/97/56/45/798975645.db2.gz CBMJBRNFVHXNDM-SPFKKGSWSA-N 0 3 257.265 -0.333 20 5 CBBDHN COc1ncnc(N(C)S(=O)(=O)CCN)c1[N+](=O)[O-] ZINC001156236350 815348652 /nfs/dbraw/zinc/34/86/52/815348652.db2.gz GGSNXOUBACEGQX-UHFFFAOYSA-N 0 3 291.289 -0.882 20 5 CBBDHN Cc1ncc([N+](=O)[O-])c(N(C)S(=O)(=O)CCN)n1 ZINC001156236598 815348772 /nfs/dbraw/zinc/34/87/72/815348772.db2.gz NKTZNRVLVZDEQI-UHFFFAOYSA-N 0 3 275.290 -0.582 20 5 CBBDHN CN1CCN(CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001116420283 812258390 /nfs/dbraw/zinc/25/83/90/812258390.db2.gz RLRFDCKDVWHNJW-UHFFFAOYSA-N 0 3 296.331 -0.315 20 5 CBBDHN COc1nc(-n2nncc2CN)nc(OC)c1[N+](=O)[O-] ZINC001158423178 815528233 /nfs/dbraw/zinc/52/82/33/815528233.db2.gz NEGPWWYPMSIZBD-UHFFFAOYSA-N 0 3 281.232 -0.559 20 5 CBBDHN O=[N+]([O-])CCNCCN1CCN(c2ncccn2)CC1 ZINC001120472815 812971254 /nfs/dbraw/zinc/97/12/54/812971254.db2.gz UFURVRYPEYSOFV-UHFFFAOYSA-N 0 3 280.332 -0.535 20 5 CBBDHN NC(=O)NCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123235414 813224875 /nfs/dbraw/zinc/22/48/75/813224875.db2.gz LXCJNEQGJNMNDV-UHFFFAOYSA-N 0 3 295.299 -0.531 20 5 CBBDHN NC(=O)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125080046 813515202 /nfs/dbraw/zinc/51/52/02/813515202.db2.gz MNYUCXCBPYEMTR-UHFFFAOYSA-N 0 3 280.284 -0.324 20 5 CBBDHN Cc1cnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001126938533 813697516 /nfs/dbraw/zinc/69/75/16/813697516.db2.gz CXJBJXFANQLFBO-GHMZBOCLSA-N 0 3 279.300 -0.344 20 5 CBBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC(N[C@H]2CCOC2)C1 ZINC001304085159 816778735 /nfs/dbraw/zinc/77/87/35/816778735.db2.gz RUUWFGUIVDFOGB-ZETCQYMHSA-N 0 3 281.272 -0.479 20 5 CBBDHN Nc1nc(N2C[C@@H]3CCCN3C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001307200273 816798207 /nfs/dbraw/zinc/79/82/07/816798207.db2.gz JHGRPXJYZOQFAA-DTWKUNHWSA-N 0 3 294.315 -0.388 20 5 CBBDHN COc1ccc([N+](=O)[O-])c(N(C)S(=O)(=O)CCN)n1 ZINC001164287076 819900226 /nfs/dbraw/zinc/90/02/26/819900226.db2.gz AWWKBTYHYWJKPV-UHFFFAOYSA-N 0 3 290.301 -0.277 20 5 CBBDHN CNc1cc([N+](=O)[O-])cnc1N(C)S(=O)(=O)CCN ZINC001164292730 819901940 /nfs/dbraw/zinc/90/19/40/819901940.db2.gz ZTZVPDVKULFILG-UHFFFAOYSA-N 0 3 289.317 -0.244 20 5 CBBDHN COc1nc(N2CC[C@@H]3NCCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165268860 819944560 /nfs/dbraw/zinc/94/45/60/819944560.db2.gz NOPOHNNRYIRYAG-WPRPVWTQSA-N 0 3 295.299 -0.040 20 5 CBBDHN O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@@H]3NCCO[C@H]3C2)c1 ZINC001165269392 819946499 /nfs/dbraw/zinc/94/64/99/819946499.db2.gz KKOZCDJURNODFH-QWRGUYRKSA-N 0 3 280.284 -0.205 20 5 CBBDHN C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170567524 820308137 /nfs/dbraw/zinc/30/81/37/820308137.db2.gz DVVGLSVRCQWLSX-CBAPKCEASA-N 0 3 295.299 -0.123 20 5 CBBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](CO)[C@H]2CO)n1 ZINC001174992821 820419987 /nfs/dbraw/zinc/41/99/87/820419987.db2.gz BBBXJTUVYRMLEK-WDEREUQCSA-N 0 3 284.316 -0.144 20 5 CBBDHN CN1C(=O)[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]2C1=O ZINC001175436116 820426765 /nfs/dbraw/zinc/42/67/65/820426765.db2.gz GFBVJAOSFZFJIR-AOOOYVTPSA-N 0 3 293.283 -0.662 20 5 CBBDHN CN(CCO)CCN(C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001187035152 821210373 /nfs/dbraw/zinc/21/03/73/821210373.db2.gz SDAUEXDFKUGNGU-UHFFFAOYSA-N 0 3 297.315 -0.551 20 5 CBBDHN NC(=O)C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001268583452 827370667 /nfs/dbraw/zinc/37/06/67/827370667.db2.gz AOTKHHUTGAMRIH-OWOJBTEDSA-N 0 3 292.295 -0.158 20 5 CBBDHN O=C(NCC1(O)CN(CC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001278863340 828301767 /nfs/dbraw/zinc/30/17/67/828301767.db2.gz KZCLTSZNZWALQF-GHMZBOCLSA-N 0 3 283.328 -0.385 20 5 CBBDHN CNC(=O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336702780 888847962 /nfs/dbraw/zinc/84/79/62/888847962.db2.gz FBENNSGBPPSCPW-SNVBAGLBSA-N 0 3 283.284 -0.330 20 5 CBBDHN Cc1c(CN)c(NC(=O)Cn2ccc([N+](=O)[O-])n2)nn1C ZINC001350412821 890983432 /nfs/dbraw/zinc/98/34/32/890983432.db2.gz YLZGCWQVSSGXTE-UHFFFAOYSA-N 0 3 293.287 -0.069 20 5 CBBDHN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001544139076 923301241 /nfs/dbraw/zinc/30/12/41/923301241.db2.gz JHNYCYIFKPTNEV-WCBMZHEXSA-N 0 3 296.331 -0.318 20 5 CBBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC(N[C@H]2CCOC2)C1 ZINC001558548912 924181060 /nfs/dbraw/zinc/18/10/60/924181060.db2.gz JTVQXRQNOXMHPR-ZETCQYMHSA-N 0 3 281.272 -0.479 20 5 CBBDHN CN(CCOCCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337487390 214115537 /nfs/dbraw/zinc/11/55/37/214115537.db2.gz JHHCGEQRHZFULV-NSHDSACASA-N 0 3 288.304 -0.907 20 5 CBBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC(C)(CO)CO ZINC000269255567 529939657 /nfs/dbraw/zinc/93/96/57/529939657.db2.gz CZRIAVZXZNUQPQ-UHFFFAOYSA-N 0 3 272.305 -0.286 20 5 CBBDHN CCc1n[nH]c(C(=O)NCCN(CC)CCO)c1[N+](=O)[O-] ZINC000274505972 352539174 /nfs/dbraw/zinc/53/91/74/352539174.db2.gz GDPSHPDEZYZLJY-UHFFFAOYSA-N 0 3 299.331 -0.076 20 5 CBBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CNC1 ZINC000090289250 351740253 /nfs/dbraw/zinc/74/02/53/351740253.db2.gz SYXWFELRZBGEIZ-UHFFFAOYSA-N 0 3 287.297 -0.147 20 5 CBBDHN CC1(O)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000177333277 352072905 /nfs/dbraw/zinc/07/29/05/352072905.db2.gz RNDHWNXGSZMSRR-LLVKDONJSA-N 0 3 284.316 -0.001 20 5 CBBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184211710 352112137 /nfs/dbraw/zinc/11/21/37/352112137.db2.gz PZAIQSRNKKRMJB-UHFFFAOYSA-N 0 3 297.315 -0.120 20 5 CBBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000228748249 352265229 /nfs/dbraw/zinc/26/52/29/352265229.db2.gz IMBYTORLGRARQF-LBPRGKRZSA-N 0 3 284.316 -0.024 20 5 CBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@H]2CO)c1 ZINC000247450799 352346754 /nfs/dbraw/zinc/34/67/54/352346754.db2.gz HLLCNTBHELPHFV-JQWIXIFHSA-N 0 3 284.316 -0.001 20 5 CBBDHN C[C@@]1(C(N)=O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280676929 352595884 /nfs/dbraw/zinc/59/58/84/352595884.db2.gz GIMXGGPDVFKEOQ-CYBMUJFWSA-N 0 3 294.311 -0.046 20 5 CBBDHN C[C@]1(C(N)=O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280676933 352595989 /nfs/dbraw/zinc/59/59/89/352595989.db2.gz GIMXGGPDVFKEOQ-ZDUSSCGKSA-N 0 3 294.311 -0.046 20 5 CBBDHN CN(CCOCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000282492569 352606864 /nfs/dbraw/zinc/60/68/64/352606864.db2.gz NBRSLDQOOAZUJC-UHFFFAOYSA-N 0 3 258.278 -0.268 20 5 CBBDHN CN1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000286281755 352641237 /nfs/dbraw/zinc/64/12/37/352641237.db2.gz VZLADYJGNPFRBK-UHFFFAOYSA-N 0 3 283.288 -0.496 20 5 CBBDHN CN(CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000299497809 352723782 /nfs/dbraw/zinc/72/37/82/352723782.db2.gz JYRMMUJUHQJGJY-UHFFFAOYSA-N 0 3 294.311 -0.033 20 5 CBBDHN CN(C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299535513 352725221 /nfs/dbraw/zinc/72/52/21/352725221.db2.gz UATLHQZSRYHBDF-UHFFFAOYSA-N 0 3 268.273 -0.566 20 5 CBBDHN C[C@@H]1CN(C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256446 352897173 /nfs/dbraw/zinc/89/71/73/352897173.db2.gz WKMZPVSXSYSIOG-ZYHUDNBSSA-N 0 3 283.332 -0.212 20 5 CBBDHN Cc1n[nH]c(C(=O)NC[C@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000337447408 353083608 /nfs/dbraw/zinc/08/36/08/353083608.db2.gz JBCGOUQWAGSEMD-NSHDSACASA-N 0 3 285.304 -0.331 20 5 CBBDHN C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N(C)C1CC1 ZINC000340724040 353183453 /nfs/dbraw/zinc/18/34/53/353183453.db2.gz PPXWZHLZBHWOAK-MRVPVSSYSA-N 0 3 282.304 -0.215 20 5 CBBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000345804525 353349328 /nfs/dbraw/zinc/34/93/28/353349328.db2.gz AVHWWTMBGWGHKT-UHFFFAOYSA-N 0 3 270.289 -0.033 20 5 CBBDHN CN(C)CCN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357916517 353614539 /nfs/dbraw/zinc/61/45/39/353614539.db2.gz TYTVSBLJYIUOBA-UHFFFAOYSA-N 0 3 255.278 -0.038 20 5 CBBDHN COC(=O)N1CC(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000496420231 354544978 /nfs/dbraw/zinc/54/49/78/354544978.db2.gz SJQJERDGWLIVGI-JTQLQIEISA-N 0 3 299.287 -0.808 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000547294431 354657488 /nfs/dbraw/zinc/65/74/88/354657488.db2.gz ORPZCAQVPXIFJZ-GFCCVEGCSA-N 0 3 282.300 -0.270 20 5 CBBDHN Cc1n[nH]c(C(=O)NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000540848703 354621176 /nfs/dbraw/zinc/62/11/76/354621176.db2.gz WNASBQSSSFZTGP-UHFFFAOYSA-N 0 3 285.304 -0.066 20 5 CBBDHN N[C@H]1C[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702584 354877921 /nfs/dbraw/zinc/87/79/21/354877921.db2.gz NMXGHLKRVDNQGH-KOLCDFICSA-N 0 3 294.315 -0.965 20 5 CBBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)NCCN(C)C ZINC000573837162 354923290 /nfs/dbraw/zinc/92/32/90/354923290.db2.gz OIXHPBNEXKNISP-QMMMGPOBSA-N 0 3 297.315 -0.281 20 5 CBBDHN O=[N+]([O-])c1ccn(CCN2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000590005375 355072959 /nfs/dbraw/zinc/07/29/59/355072959.db2.gz FBVGFXSJTPTYNV-MYJAWHEDSA-N 0 3 252.274 -0.039 20 5 CBBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN(C)C ZINC000590369292 355076426 /nfs/dbraw/zinc/07/64/26/355076426.db2.gz ATOYCYBUEWJMDP-VIFPVBQESA-N 0 3 282.300 -0.049 20 5 CBBDHN CCCc1n[nH]c(C(=O)N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000588863769 355061939 /nfs/dbraw/zinc/06/19/39/355061939.db2.gz KHQRDTXQQWZOFE-MRVPVSSYSA-N 0 3 299.331 -0.077 20 5 CBBDHN CC1(C)CN[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000591686788 355107627 /nfs/dbraw/zinc/10/76/27/355107627.db2.gz ZNXODDFVPQFCSS-VIFPVBQESA-N 0 3 267.289 -0.095 20 5 CBBDHN CC1(C)CNCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000591678506 355107708 /nfs/dbraw/zinc/10/77/08/355107708.db2.gz VUBJSVYVZHFEGN-UHFFFAOYSA-N 0 3 294.311 -0.033 20 5 CBBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H](O)CO ZINC000592430497 355152576 /nfs/dbraw/zinc/15/25/76/355152576.db2.gz UVOYBECDTVDNPI-ZJUUUORDSA-N 0 3 286.284 -0.723 20 5 CBBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2COC[C@H]2O)c1 ZINC000592432687 355153958 /nfs/dbraw/zinc/15/39/58/355153958.db2.gz LTMZGKGUGFHWOH-CYZMBNFOSA-N 0 3 298.295 -0.316 20 5 CBBDHN COC(=O)[C@H]1CNCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000592489374 355156983 /nfs/dbraw/zinc/15/69/83/355156983.db2.gz RPFFIGVKTHMCBP-SNVBAGLBSA-N 0 3 297.315 -0.372 20 5 CBBDHN NC[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(F)(F)F ZINC000594451127 355248645 /nfs/dbraw/zinc/24/86/45/355248645.db2.gz LLFHBKYPJWIVJO-BYPYZUCNSA-N 0 3 267.167 -0.063 20 5 CBBDHN NC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000594451889 355248836 /nfs/dbraw/zinc/24/88/36/355248836.db2.gz RWPLZAIXUGERPL-RXMQYKEDSA-N 0 3 281.194 -0.203 20 5 CBBDHN Cc1[nH]nc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594391626 355245024 /nfs/dbraw/zinc/24/50/24/355245024.db2.gz AURQYWGLZNVXFG-DTWKUNHWSA-N 0 3 295.299 -0.483 20 5 CBBDHN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595108866 355271466 /nfs/dbraw/zinc/27/14/66/355271466.db2.gz VKGLLHMEPGZLHM-SSDOTTSWSA-N 0 3 274.302 -0.137 20 5 CBBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@H]2CNCCO2)c1 ZINC000594699201 355258046 /nfs/dbraw/zinc/25/80/46/355258046.db2.gz REDMBPPGLVEKIY-SECBINFHSA-N 0 3 297.267 -0.469 20 5 CBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC2(CNC2)C1 ZINC000596108219 355341674 /nfs/dbraw/zinc/34/16/74/355341674.db2.gz ZLLCGJKOEHIYCL-UHFFFAOYSA-N 0 3 295.299 -0.699 20 5 CBBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCOC2(CNC2)C1 ZINC000596578748 355359147 /nfs/dbraw/zinc/35/91/47/355359147.db2.gz DHNXPXZFCYDCDA-UHFFFAOYSA-N 0 3 280.284 -0.252 20 5 CBBDHN C[C@@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CN1C1CC1 ZINC000610654048 355784285 /nfs/dbraw/zinc/78/42/85/355784285.db2.gz FROMOJQYFFCYCV-BDAKNGLRSA-N 0 3 294.315 -0.072 20 5 CBBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000618923311 356200402 /nfs/dbraw/zinc/20/04/02/356200402.db2.gz DUSQOWXTTWKDNS-LBPRGKRZSA-N 0 3 297.315 -0.153 20 5 CBBDHN CN(C)C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 ZINC000330650995 203078753 /nfs/dbraw/zinc/07/87/53/203078753.db2.gz JYUSCFYZWGVLFX-SECBINFHSA-N 0 3 297.315 -0.269 20 5 CBBDHN CC(C)(C(=O)NC[C@@H]1CNCCO1)n1cc([N+](=O)[O-])cn1 ZINC000574311714 335009214 /nfs/dbraw/zinc/00/92/14/335009214.db2.gz CGYGDMVPQMPYIF-JTQLQIEISA-N 0 3 297.315 -0.369 20 5 CBBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@]1(CO)CCOC1 ZINC000330910532 203380727 /nfs/dbraw/zinc/38/07/27/203380727.db2.gz VLTRLOUEYRYOGX-LLVKDONJSA-N 0 3 270.289 -0.126 20 5 CBBDHN CN(CCn1ccc([N+](=O)[O-])n1)CC(C)(CO)CO ZINC000270344613 372919619 /nfs/dbraw/zinc/91/96/19/372919619.db2.gz PXWMPUWBJFISEF-UHFFFAOYSA-N 0 3 272.305 -0.286 20 5 CBBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(N)=O ZINC000286088893 372955603 /nfs/dbraw/zinc/95/56/03/372955603.db2.gz HRKSPRAKWRHOLO-PSASIEDQSA-N 0 3 267.289 -0.156 20 5 CBBDHN CN(C)CCOCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360662556 373224468 /nfs/dbraw/zinc/22/44/68/373224468.db2.gz GYYZFTAJVOYRHN-UHFFFAOYSA-N 0 3 285.304 -0.364 20 5 CBBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000360842330 373240758 /nfs/dbraw/zinc/24/07/58/373240758.db2.gz WDOGQGQFTYQLSL-LLVKDONJSA-N 0 3 283.288 -0.875 20 5 CBBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356453284 248252023 /nfs/dbraw/zinc/25/20/23/248252023.db2.gz ZJHPRXRRIQOTDE-UHFFFAOYSA-N 0 3 285.304 -0.364 20 5 CBBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000266564195 190267613 /nfs/dbraw/zinc/26/76/13/190267613.db2.gz YXLBUENQGHFVFL-GXSJLCMTSA-N 0 3 270.289 -0.127 20 5 CBBDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000434672741 208264724 /nfs/dbraw/zinc/26/47/24/208264724.db2.gz ZLVFBTOWZHVGEA-JGVFFNPUSA-N 0 3 268.277 -0.605 20 5 CBBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285500435 196306338 /nfs/dbraw/zinc/30/63/38/196306338.db2.gz XPVPDHVPERNNTQ-UHFFFAOYSA-N 0 3 285.304 -0.032 20 5 CBBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)CCO ZINC000049753475 419453280 /nfs/dbraw/zinc/45/32/80/419453280.db2.gz NUAWGGUMEDOLSC-UHFFFAOYSA-N 0 3 258.278 -0.614 20 5 CBBDHN CN(c1ncc([N+](=O)[O-])c(N)n1)C1CCN(CCO)CC1 ZINC000357614239 419890570 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