smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](CO)C1 ZINC000090550256 349438743 /nfs/dbraw/zinc/43/87/43/349438743.db2.gz XTNITXJFHNJAAI-SNVBAGLBSA-N 0 3 267.285 0.071 20 5 CCBDHN CN(C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000355828852 282105797 /nfs/dbraw/zinc/10/57/97/282105797.db2.gz BNCOYMZHAWOFFW-UHFFFAOYSA-N 0 3 295.295 0.657 20 5 CCBDHN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111302185 349770421 /nfs/dbraw/zinc/77/04/21/349770421.db2.gz WURQMFZWFBDNCR-ZCFIWIBFSA-N 0 3 293.732 0.874 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2COCCN2)cc1 ZINC000600679110 362031841 /nfs/dbraw/zinc/03/18/41/362031841.db2.gz ZOVZQPXSMLJWIR-LLVKDONJSA-N 0 3 251.286 0.673 20 5 CCBDHN CN1CC[C@@](O)(CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601144166 362156448 /nfs/dbraw/zinc/15/64/48/362156448.db2.gz PXZAANZNUJJPGQ-LLVKDONJSA-N 0 3 270.264 0.607 20 5 CCBDHN CNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000426354554 529917312 /nfs/dbraw/zinc/91/73/12/529917312.db2.gz TYKPJDVDTRBFDE-HBNTYKKESA-N 0 3 295.343 0.999 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@]1(O)CCN(C)C1 ZINC000358323839 232081127 /nfs/dbraw/zinc/08/11/27/232081127.db2.gz UILNITQOQOZGSM-GFCCVEGCSA-N 0 3 266.301 0.777 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CC1(CO)CC1 ZINC000602818643 362816484 /nfs/dbraw/zinc/81/64/84/362816484.db2.gz WATLNKIIXGCHTB-UHFFFAOYSA-N 0 3 268.317 0.804 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCCN1C ZINC000343428130 137134224 /nfs/dbraw/zinc/13/42/24/137134224.db2.gz GYWMJCRUXYSYMK-ZJUUUORDSA-N 0 3 281.316 0.390 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccnc2)c1 ZINC000037883779 348214757 /nfs/dbraw/zinc/21/47/57/348214757.db2.gz AKQOKANKWACXEW-LBPRGKRZSA-N 0 3 277.284 0.337 20 5 CCBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N(C)C ZINC000063769242 348692733 /nfs/dbraw/zinc/69/27/33/348692733.db2.gz JMPYSJPDRVUYTQ-ZETCQYMHSA-N 0 3 284.291 0.996 20 5 CCBDHN Cc1nn(C)c(NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000078771200 349151962 /nfs/dbraw/zinc/15/19/62/349151962.db2.gz CMKVRQICJOPURC-GHMZBOCLSA-N 0 3 295.343 0.912 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)N1C ZINC000339628081 215275078 /nfs/dbraw/zinc/27/50/78/215275078.db2.gz GPMGQQDOTCBGTM-WZRBSPASSA-N 0 3 297.359 0.177 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@H]1CN ZINC000124343633 350096868 /nfs/dbraw/zinc/09/68/68/350096868.db2.gz GOHWEKXHWWEOJV-GFCCVEGCSA-N 0 3 292.339 0.618 20 5 CCBDHN CN(C)CCN(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000107062821 186157840 /nfs/dbraw/zinc/15/78/40/186157840.db2.gz SPTHFJJCXHWYRN-UHFFFAOYSA-N 0 3 266.301 0.811 20 5 CCBDHN CN(CCc1cnccn1)CCn1ccc([N+](=O)[O-])n1 ZINC000271406807 191119294 /nfs/dbraw/zinc/11/92/94/191119294.db2.gz YBZLCIXETPHIFK-UHFFFAOYSA-N 0 3 276.300 0.756 20 5 CCBDHN C[C@H]1CC[C@@H](C(N)=O)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000174846105 351106492 /nfs/dbraw/zinc/10/64/92/351106492.db2.gz UQPFRWAREFQYRG-VHSXEESVSA-N 0 3 281.316 0.377 20 5 CCBDHN C[C@H]1CC[C@H](C(N)=O)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000174846088 351106504 /nfs/dbraw/zinc/10/65/04/351106504.db2.gz UQPFRWAREFQYRG-UWVGGRQHSA-N 0 3 281.316 0.377 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCO1 ZINC000174841809 351106999 /nfs/dbraw/zinc/10/69/99/351106999.db2.gz IGOGNJWOMMNUDZ-NSHDSACASA-N 0 3 254.290 0.902 20 5 CCBDHN CNC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174857243 351107489 /nfs/dbraw/zinc/10/74/89/351107489.db2.gz LPYMWWSDHPINCL-SNVBAGLBSA-N 0 3 281.316 0.249 20 5 CCBDHN C[C@H]1CC(O)C[C@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191276604 351752762 /nfs/dbraw/zinc/75/27/62/351752762.db2.gz IGAMJRZDPKYUTK-QWRGUYRKSA-N 0 3 295.339 0.990 20 5 CCBDHN C[C@@H](O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000192817173 351800146 /nfs/dbraw/zinc/80/01/46/351800146.db2.gz YSVGUKFAGCNNJR-NWDGAFQWSA-N 0 3 297.359 0.178 20 5 CCBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000230053876 352101369 /nfs/dbraw/zinc/10/13/69/352101369.db2.gz OUCJGUMGPPFCQF-UHFFFAOYSA-N 0 3 285.325 0.755 20 5 CCBDHN O=C(CNC[C@H]1CCCO1)NCc1cccc([N+](=O)[O-])c1 ZINC000237931899 352290410 /nfs/dbraw/zinc/29/04/10/352290410.db2.gz LSSALCQLMZUIOP-CYBMUJFWSA-N 0 3 293.323 0.980 20 5 CCBDHN COCCCOCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000271529641 191195234 /nfs/dbraw/zinc/19/52/34/191195234.db2.gz RZEDIBYBMKOCLA-UHFFFAOYSA-N 0 3 286.332 0.776 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)O ZINC000269841972 352879390 /nfs/dbraw/zinc/87/93/90/352879390.db2.gz FFBVDJOTTJDKDS-UHFFFAOYSA-N 0 3 269.301 0.459 20 5 CCBDHN CN1CC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000272513315 353070480 /nfs/dbraw/zinc/07/04/80/353070480.db2.gz PAHXGODQDFXVIM-PWSUYJOCSA-N 0 3 293.327 0.344 20 5 CCBDHN CCN1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000286604029 353599509 /nfs/dbraw/zinc/59/95/09/353599509.db2.gz RGXCZFQNJDTFEB-NSHDSACASA-N 0 3 267.333 0.817 20 5 CCBDHN CCN(CCNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000290493884 353729830 /nfs/dbraw/zinc/72/98/30/353729830.db2.gz CTVKSLYEDFVDAI-UHFFFAOYSA-N 0 3 293.327 0.985 20 5 CCBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)CO ZINC000293415316 353810437 /nfs/dbraw/zinc/81/04/37/353810437.db2.gz MUTOIKQNPKTYAX-JTQLQIEISA-N 0 3 269.301 0.459 20 5 CCBDHN Cc1nn(C)c(C(=O)NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000299393706 354013565 /nfs/dbraw/zinc/01/35/65/354013565.db2.gz UFCRISPSZPUDMF-UHFFFAOYSA-N 0 3 281.316 0.461 20 5 CCBDHN Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000299530498 354024818 /nfs/dbraw/zinc/02/48/18/354024818.db2.gz LMUARCRJULCBPV-ZCFIWIBFSA-N 0 3 255.278 0.306 20 5 CCBDHN CCN1CCN(CCNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301303998 354075912 /nfs/dbraw/zinc/07/59/12/354075912.db2.gz WZKFWYCILIGMSL-UHFFFAOYSA-N 0 3 296.375 0.686 20 5 CCBDHN CCO[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304378049 354115448 /nfs/dbraw/zinc/11/54/48/354115448.db2.gz XOLBNSNOGGSPFC-CHWSQXEVSA-N 0 3 298.343 0.653 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H](O)C1CC1 ZINC000304796384 354122736 /nfs/dbraw/zinc/12/27/36/354122736.db2.gz WAVDMWHJWYUUMX-JTQLQIEISA-N 0 3 254.290 0.494 20 5 CCBDHN CN(C)[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000556976912 291018972 /nfs/dbraw/zinc/01/89/72/291018972.db2.gz RAEBBJFMXOZJLX-IUCAKERBSA-N 0 3 285.325 0.403 20 5 CCBDHN C[C@@H]1CCOCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305758458 354159978 /nfs/dbraw/zinc/15/99/78/354159978.db2.gz CGJHAAJSVFHFLB-ZYHUDNBSSA-N 0 3 284.316 0.263 20 5 CCBDHN CN(C)[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330516472 354389735 /nfs/dbraw/zinc/38/97/35/354389735.db2.gz INEJIUXCZDMCQJ-SNVBAGLBSA-N 0 3 295.343 0.689 20 5 CCBDHN CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000330555055 354409366 /nfs/dbraw/zinc/40/93/66/354409366.db2.gz DUSWDZLHPNSKNW-LBPRGKRZSA-N 0 3 297.359 0.178 20 5 CCBDHN CN1CC=C(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000271774420 191319626 /nfs/dbraw/zinc/31/96/26/191319626.db2.gz AUUHMZUZGOQDRC-UHFFFAOYSA-N 0 3 279.300 0.169 20 5 CCBDHN NC1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000423910116 235116622 /nfs/dbraw/zinc/11/66/22/235116622.db2.gz USIPLIQXKISWRK-UHFFFAOYSA-N 0 3 281.316 0.569 20 5 CCBDHN COCCN1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000340155316 355512730 /nfs/dbraw/zinc/51/27/30/355512730.db2.gz QDELSQLPSOEXEV-UHFFFAOYSA-N 0 3 280.328 0.934 20 5 CCBDHN CN1CC=C(CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000354611707 356452894 /nfs/dbraw/zinc/45/28/94/356452894.db2.gz YJTGFJNCXMKICO-UHFFFAOYSA-N 0 3 288.311 0.733 20 5 CCBDHN O=[N+]([O-])c1cnc2ccc(NCCN3CCCC3)nn21 ZINC000359482610 356830095 /nfs/dbraw/zinc/83/00/95/356830095.db2.gz QRNSGSAVGFQIMB-UHFFFAOYSA-N 0 3 276.300 0.567 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408226537 357980755 /nfs/dbraw/zinc/98/07/55/357980755.db2.gz OKZMTJLYBVUSRD-VXNVDRBHSA-N 0 3 281.316 0.839 20 5 CCBDHN COC(=O)c1cnc(N2CCN[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420189728 358178617 /nfs/dbraw/zinc/17/86/17/358178617.db2.gz GNRQAQYXRKTUJT-MRVPVSSYSA-N 0 3 280.284 0.575 20 5 CCBDHN C[C@@H]1COCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610990952 363643945 /nfs/dbraw/zinc/64/39/45/363643945.db2.gz WHLBACUXWUZVJQ-ZYHUDNBSSA-N 0 3 284.316 0.263 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCc3cn[nH]c3C2)n1 ZINC000611008665 363648342 /nfs/dbraw/zinc/64/83/42/363648342.db2.gz GGGCUNNZELSYOJ-UHFFFAOYSA-N 0 3 262.273 0.573 20 5 CCBDHN Cc1ccc(C(=O)N[C@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000588864739 359344172 /nfs/dbraw/zinc/34/41/72/359344172.db2.gz PSKOJXJIZNDGCM-NSHDSACASA-N 0 3 281.312 0.556 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000589941328 359411726 /nfs/dbraw/zinc/41/17/26/359411726.db2.gz CUBPUBWNHGYFLX-KWQFWETISA-N 0 3 264.285 0.699 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@@H]2C1 ZINC000589941331 359411883 /nfs/dbraw/zinc/41/18/83/359411883.db2.gz CUBPUBWNHGYFLX-LDYMZIIASA-N 0 3 264.285 0.699 20 5 CCBDHN COc1cccc(C(=O)NC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC000562981494 291177853 /nfs/dbraw/zinc/17/78/53/291177853.db2.gz ODNAJASRUIELQD-VIFPVBQESA-N 0 3 295.295 0.322 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCOC2)c1 ZINC000591757102 359653881 /nfs/dbraw/zinc/65/38/81/359653881.db2.gz ZMHUJXDEQWKEDC-ZYHUDNBSSA-N 0 3 282.296 0.713 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000592242138 359804327 /nfs/dbraw/zinc/80/43/27/359804327.db2.gz PECSONDMHJZGLH-SNVBAGLBSA-N 0 3 295.343 0.707 20 5 CCBDHN Cn1nnnc1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503298 360324603 /nfs/dbraw/zinc/32/46/03/360324603.db2.gz UVTFTOMJKYJJJW-NSHDSACASA-N 0 3 288.311 0.938 20 5 CCBDHN O=c1c2cc([N+](=O)[O-])sc2ncn1C[C@@H]1CNCCO1 ZINC000594695307 360362089 /nfs/dbraw/zinc/36/20/89/360362089.db2.gz DJBRHZRNAPGALM-ZETCQYMHSA-N 0 3 296.308 0.355 20 5 CCBDHN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595111070 360438620 /nfs/dbraw/zinc/43/86/20/360438620.db2.gz GEVVQGLOJNGYBA-MRVPVSSYSA-N 0 3 288.329 0.396 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](Cn3ccnn3)C2)n1 ZINC000595606525 360594471 /nfs/dbraw/zinc/59/44/71/360594471.db2.gz HKTUFNZWTZIATH-LLVKDONJSA-N 0 3 291.315 0.405 20 5 CCBDHN C[C@@]12COC[C@H]1CN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595760617 360644384 /nfs/dbraw/zinc/64/43/84/360644384.db2.gz UUUSHYZFRXYMHG-ZYHUDNBSSA-N 0 3 266.301 0.760 20 5 CCBDHN O=C1CC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@@H]2N1 ZINC000595735830 360633978 /nfs/dbraw/zinc/63/39/78/360633978.db2.gz DKVVKEGOUZAAAR-MNOVXSKESA-N 0 3 293.327 0.392 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H](C)[C@H]1O ZINC000595745072 360638147 /nfs/dbraw/zinc/63/81/47/360638147.db2.gz PIFKSFGXKOSZEP-IAZYJMLFSA-N 0 3 268.317 0.740 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCOC2(CNC2)C1 ZINC000596580562 360924439 /nfs/dbraw/zinc/92/44/39/360924439.db2.gz OFAKKPXUTGSSOW-UHFFFAOYSA-N 0 3 291.307 0.718 20 5 CCBDHN C[C@@H](C(=O)N[C@@H](CO)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597652665 361175101 /nfs/dbraw/zinc/17/51/01/361175101.db2.gz DJGBOYNHEPPWCK-ZYHUDNBSSA-N 0 3 295.339 0.737 20 5 CCBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CCN(C)C1 ZINC000597944525 361287873 /nfs/dbraw/zinc/28/78/73/361287873.db2.gz DSJYPAWHWSXUKK-LLVKDONJSA-N 0 3 295.343 0.652 20 5 CCBDHN CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCN(C)C1 ZINC000597946670 361288280 /nfs/dbraw/zinc/28/82/80/361288280.db2.gz RSQKTNWYGDFECQ-MRVPVSSYSA-N 0 3 267.289 0.484 20 5 CCBDHN CC(C)N1CC[C@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000563942090 291259615 /nfs/dbraw/zinc/25/96/15/291259615.db2.gz DRKXKFXAZCWDFG-VIFPVBQESA-N 0 3 281.316 0.873 20 5 CCBDHN CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)N1 ZINC000598532198 361440602 /nfs/dbraw/zinc/44/06/02/361440602.db2.gz UMLLTQMZALLXMK-DTWKUNHWSA-N 0 3 281.316 0.541 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1CNCCc1nnnn1C ZINC000612581323 363964232 /nfs/dbraw/zinc/96/42/32/363964232.db2.gz BCTMDXGUHOBLGP-UHFFFAOYSA-N 0 3 276.300 0.759 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CNCCO1 ZINC000564842073 291305797 /nfs/dbraw/zinc/30/57/97/291305797.db2.gz WLXXLWOZSKGBHX-JTQLQIEISA-N 0 3 280.284 0.016 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262836673 190063401 /nfs/dbraw/zinc/06/34/01/190063401.db2.gz WMXBWMUOTNOVMQ-DTWKUNHWSA-N 0 3 278.312 0.999 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@](O)(CO)C2)cc1 ZINC000313690866 249001422 /nfs/dbraw/zinc/00/14/22/249001422.db2.gz YBXXMERHTCJFRR-CQSZACIVSA-N 0 3 280.324 0.957 20 5 CCBDHN Cc1[nH]nc(C(=O)N(C)[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000266001899 190222547 /nfs/dbraw/zinc/22/25/47/190222547.db2.gz SLLZVFQIOXXURM-VIFPVBQESA-N 0 3 281.316 0.793 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000268217285 190387049 /nfs/dbraw/zinc/38/70/49/190387049.db2.gz PUBLIKSVGNCADU-ONGXEEELSA-N 0 3 293.327 0.390 20 5 CCBDHN CCN1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000571346648 291809169 /nfs/dbraw/zinc/80/91/69/291809169.db2.gz JZRGZMNSEOSLIS-UHFFFAOYSA-N 0 3 267.289 0.532 20 5 CCBDHN C[C@H]1C[C@@H](CO)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000289078371 197229539 /nfs/dbraw/zinc/22/95/39/197229539.db2.gz SRPDRYZJGBYPEZ-QWRGUYRKSA-N 0 3 268.317 0.884 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](n3cccn3)C2)n1 ZINC000291597365 285168510 /nfs/dbraw/zinc/16/85/10/285168510.db2.gz BTCUNVHDFDXKBE-LLVKDONJSA-N 0 3 276.300 0.935 20 5 CCBDHN CCCN(CCN(C)C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000520834818 285276262 /nfs/dbraw/zinc/27/62/62/285276262.db2.gz OLPRUZUTKIYUKW-UHFFFAOYSA-N 0 3 295.343 0.816 20 5 CCBDHN CC1(CO)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000186972431 388862266 /nfs/dbraw/zinc/86/22/66/388862266.db2.gz IPSWXJHDPUBBKC-LBPRGKRZSA-N 0 3 298.343 0.247 20 5 CCBDHN COCCNCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313433324 389113762 /nfs/dbraw/zinc/11/37/62/389113762.db2.gz JWCMESYQJODUMN-DAXSKMNVSA-N 0 3 293.323 0.960 20 5 CCBDHN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000236648123 389170082 /nfs/dbraw/zinc/17/00/82/389170082.db2.gz RZXBQKLVQAPHAH-UHFFFAOYSA-N 0 3 279.343 0.672 20 5 CCBDHN C[C@H](CN1CCCCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000159900705 389375732 /nfs/dbraw/zinc/37/57/32/389375732.db2.gz XOGSKMVFZQXTCO-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN C[C@H](CN1CCCCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159900705 389375737 /nfs/dbraw/zinc/37/57/37/389375737.db2.gz XOGSKMVFZQXTCO-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN Cc1n[nH]c(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1[N+](=O)[O-] ZINC000429407817 389755104 /nfs/dbraw/zinc/75/51/04/389755104.db2.gz KKKWRWNNZHTFDT-RNFRBKRXSA-N 0 3 267.289 0.449 20 5 CCBDHN Cc1[nH]nc(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1[N+](=O)[O-] ZINC000429407817 389755105 /nfs/dbraw/zinc/75/51/05/389755105.db2.gz KKKWRWNNZHTFDT-RNFRBKRXSA-N 0 3 267.289 0.449 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCOC1 ZINC000352193339 389769117 /nfs/dbraw/zinc/76/91/17/389769117.db2.gz CGSBTSHYIYAANW-JTQLQIEISA-N 0 3 254.290 0.902 20 5 CCBDHN CNc1nc(C(=O)N2CC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000455417506 390012233 /nfs/dbraw/zinc/01/22/33/390012233.db2.gz QCWJAVIPAIBCLM-VIFPVBQESA-N 0 3 293.327 0.808 20 5 CCBDHN CN1CC[C@@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000420640740 390019539 /nfs/dbraw/zinc/01/95/39/390019539.db2.gz RTGUXVGIVPAKAU-SKDRFNHKSA-N 0 3 290.323 0.834 20 5 CCBDHN C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCCC1 ZINC000535004137 390133380 /nfs/dbraw/zinc/13/33/80/390133380.db2.gz BQNSLWFODIBYGM-MRVPVSSYSA-N 0 3 267.289 0.532 20 5 CCBDHN Nc1nc(NC[C@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000555369874 390454056 /nfs/dbraw/zinc/45/40/56/390454056.db2.gz RUQFRCSUHCKTNB-MRVPVSSYSA-N 0 3 278.316 0.115 20 5 CCBDHN C[C@H]1CCN(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000524719843 390651356 /nfs/dbraw/zinc/65/13/56/390651356.db2.gz NGRUWIFBRCIDLZ-NSHDSACASA-N 0 3 295.343 0.639 20 5 CCBDHN CCCCN(C)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000521072501 390596426 /nfs/dbraw/zinc/59/64/26/390596426.db2.gz AQPFOHXRGRHVTI-UHFFFAOYSA-N 0 3 269.305 0.780 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)C2)n1 ZINC000534288952 390891295 /nfs/dbraw/zinc/89/12/95/390891295.db2.gz NGKQKMUSUBHOEL-SECBINFHSA-N 0 3 281.316 0.400 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000358038608 144144120 /nfs/dbraw/zinc/14/41/20/144144120.db2.gz BGYYHXSISHJJQR-LLVKDONJSA-N 0 3 285.325 0.453 20 5 CCBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285259471 196234289 /nfs/dbraw/zinc/23/42/89/196234289.db2.gz SDXIMOVNDHKQGZ-VIFPVBQESA-N 0 3 281.316 0.780 20 5 CCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285594435 196337952 /nfs/dbraw/zinc/33/79/52/196337952.db2.gz IXNGCOAAQDFDPR-WPRPVWTQSA-N 0 3 281.316 0.730 20 5 CCBDHN CN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000071862544 176280026 /nfs/dbraw/zinc/28/00/26/176280026.db2.gz HBLRTIDPKGCRSV-UHFFFAOYSA-N 0 3 289.295 0.859 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000317379564 260206539 /nfs/dbraw/zinc/20/65/39/260206539.db2.gz HIFWOLIHUPOQGN-YPMHNXCESA-N 0 3 266.297 0.422 20 5 CCBDHN O=[N+]([O-])c1c(N2CCNCC2)nc2sccn21 ZINC000035412567 275032688 /nfs/dbraw/zinc/03/26/88/275032688.db2.gz MGNBPVBKPKSOHC-UHFFFAOYSA-N 0 3 253.287 0.714 20 5 CCBDHN CNC(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000426354551 277248947 /nfs/dbraw/zinc/24/89/47/277248947.db2.gz TYKPJDVDTRBFDE-AXFHLTTASA-N 0 3 295.343 0.999 20 5 CCBDHN CC1(C)CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1 ZINC000212787243 278342922 /nfs/dbraw/zinc/34/29/22/278342922.db2.gz NEGHCALXCKULCT-UHFFFAOYSA-N 0 3 278.312 0.882 20 5 CCBDHN C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000299281090 298688051 /nfs/dbraw/zinc/68/80/51/298688051.db2.gz MJOCHSVPBHQLQD-SECBINFHSA-N 0 3 269.305 0.248 20 5 CCBDHN C[C@H]1CCCCN1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000583358818 327318164 /nfs/dbraw/zinc/31/81/64/327318164.db2.gz IIPIZQFRUNMBQS-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580465747 330143302 /nfs/dbraw/zinc/14/33/02/330143302.db2.gz VPLDTPXDFLSJHI-MNOVXSKESA-N 0 3 290.323 0.651 20 5 CCBDHN Cn1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000577216592 335324004 /nfs/dbraw/zinc/32/40/04/335324004.db2.gz RCMRGPNMOREAHO-GFCCVEGCSA-N 0 3 279.300 0.281 20 5 CCBDHN CC(=O)N1CC[C@@H](CN(C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000156466654 519614447 /nfs/dbraw/zinc/61/44/47/519614447.db2.gz LQNWBAXSMSLVKP-LBPRGKRZSA-N 0 3 295.343 0.592 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000157366477 526624047 /nfs/dbraw/zinc/62/40/47/526624047.db2.gz HAWJKRNPBJCPFU-SECBINFHSA-N 0 3 283.259 0.452 20 5 CCBDHN CCO[C@@H]1COC[C@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000451931272 527785842 /nfs/dbraw/zinc/78/58/42/527785842.db2.gz BEXXVJMIMWPEOO-NXEZZACHSA-N 0 3 270.289 0.185 20 5 CCBDHN CC(C)N(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC(=O)N1 ZINC000412088860 528917032 /nfs/dbraw/zinc/91/70/32/528917032.db2.gz SQBXKUCBSORZTE-NSHDSACASA-N 0 3 295.343 0.780 20 5 CCBDHN CN(C)CCOCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000346022855 535901379 /nfs/dbraw/zinc/90/13/79/535901379.db2.gz YFRQWBUZLUHYFE-UHFFFAOYSA-N 0 3 287.341 0.964 20 5 CCBDHN CCc1nn(C)c(NC[C@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000361013075 536182207 /nfs/dbraw/zinc/18/22/07/536182207.db2.gz IDZZAPBSGDYNBF-GFCCVEGCSA-N 0 3 283.332 0.369 20 5 CCBDHN C[C@H](CO)N(C[C@H](C)O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785538946 581412007 /nfs/dbraw/zinc/41/20/07/581412007.db2.gz ZLDJLYJPUTZZFM-UHIISALHSA-N 0 3 298.339 0.692 20 5 CCBDHN NC(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776271848 582065923 /nfs/dbraw/zinc/06/59/23/582065923.db2.gz IPYWEVSYDAOUHW-CYBMUJFWSA-N 0 3 293.323 0.826 20 5 CCBDHN CSc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C ZINC000813109375 617278452 /nfs/dbraw/zinc/27/84/52/617278452.db2.gz JLJHENDYFPJBSG-ZCFIWIBFSA-N 0 3 259.287 0.964 20 5 CCBDHN CC(C)(C)OC(=O)NC1(CNCC[N+](=O)[O-])CC1 ZINC000905642922 613984837 /nfs/dbraw/zinc/98/48/37/613984837.db2.gz DYYIUZZWUFBVSP-UHFFFAOYSA-N 0 3 259.306 0.910 20 5 CCBDHN CN(C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000839465683 615974798 /nfs/dbraw/zinc/97/47/98/615974798.db2.gz ZZFSSRDYKNGYKV-BBBLOLIVSA-N 0 3 267.285 0.664 20 5 CCBDHN CN(CCO)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000899726870 616106929 /nfs/dbraw/zinc/10/69/29/616106929.db2.gz YBIYPIXSRUYMJO-UHFFFAOYSA-N 0 3 267.285 0.249 20 5 CCBDHN CN1CCN(C[C@@H](NCC[N+](=O)[O-])c2ccccc2)CC1 ZINC000905090497 616242845 /nfs/dbraw/zinc/24/28/45/616242845.db2.gz WMYQGCSHELRXQZ-OAHLLOKOSA-N 0 3 292.383 0.841 20 5 CCBDHN CN1CCOC[C@@]1(CO)CNCc1ccccc1[N+](=O)[O-] ZINC000922537679 616249238 /nfs/dbraw/zinc/24/92/38/616249238.db2.gz ADXVPOKVQQCROM-AWEZNQCLSA-N 0 3 295.339 0.378 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000930619725 616355072 /nfs/dbraw/zinc/35/50/72/616355072.db2.gz GNQAMTISBLWKIL-CABZTGNLSA-N 0 3 291.311 0.580 20 5 CCBDHN CO[C@@H]1COC[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839201568 616821677 /nfs/dbraw/zinc/82/16/77/616821677.db2.gz UVQILTXAQYRTKY-YNEHKIRRSA-N 0 3 282.296 0.632 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCN2CCCC2)c1 ZINC000915668102 616871205 /nfs/dbraw/zinc/87/12/05/616871205.db2.gz GAKFCMQFBOKFFK-UHFFFAOYSA-N 0 3 295.295 0.639 20 5 CCBDHN CC(COC(=O)c1ccc(CN2CCOCC2)o1)[N+](=O)[O-] ZINC000893045443 625303886 /nfs/dbraw/zinc/30/38/86/625303886.db2.gz XDMOFFVXBWVVHJ-SNVBAGLBSA-N 0 3 298.295 0.934 20 5 CCBDHN Cc1c(C(=O)N(C)CCN(C)CCO)cccc1[N+](=O)[O-] ZINC000912611948 636622027 /nfs/dbraw/zinc/62/20/27/636622027.db2.gz ZTJFRZGMFZMDQW-UHFFFAOYSA-N 0 3 295.339 0.899 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000112090853 638094220 /nfs/dbraw/zinc/09/42/20/638094220.db2.gz KSSHECVLVZMGCD-ZJUUUORDSA-N 0 3 281.316 0.603 20 5 CCBDHN CC(COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)[N+](=O)[O-] ZINC000813109624 641023142 /nfs/dbraw/zinc/02/31/42/641023142.db2.gz NHIGKYLSOHWPNP-BQBZGAKWSA-N 0 3 298.217 0.606 20 5 CCBDHN CC(COC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)[N+](=O)[O-] ZINC000816090855 641140884 /nfs/dbraw/zinc/14/08/84/641140884.db2.gz ALTAFZLQJPEELY-NXEZZACHSA-N 0 3 298.299 0.111 20 5 CCBDHN CC(COC(=O)Cc1cn(C)nc1Cl)[N+](=O)[O-] ZINC000816090910 641140958 /nfs/dbraw/zinc/14/09/58/641140958.db2.gz CMQIOSKTABZPCN-ZCFIWIBFSA-N 0 3 261.665 0.824 20 5 CCBDHN C[C@@H](CN1CCCC1)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000845663151 643337886 /nfs/dbraw/zinc/33/78/86/643337886.db2.gz MEKZCZNTHLECSA-VIFPVBQESA-N 0 3 282.300 0.969 20 5 CCBDHN Cc1ccnc(NCCN(C)CCO)c1[N+](=O)[O-] ZINC000884824995 647808144 /nfs/dbraw/zinc/80/81/44/647808144.db2.gz ZFIODRCRKOOGOM-UHFFFAOYSA-N 0 3 254.290 0.634 20 5 CCBDHN O=C(N[C@H]1COC2(CNC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC001122064475 799134327 /nfs/dbraw/zinc/13/43/27/799134327.db2.gz YYZBKMKJEJHBJE-SECBINFHSA-N 0 3 295.270 0.595 20 5 CCBDHN CCOCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122965622 799323326 /nfs/dbraw/zinc/32/33/26/799323326.db2.gz KQRIMBZBGVFHQN-UHFFFAOYSA-N 0 3 281.312 0.837 20 5 CCBDHN COCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001153980546 800697334 /nfs/dbraw/zinc/69/73/34/800697334.db2.gz MTSSTIUZHWPBGZ-UHFFFAOYSA-N 0 3 287.341 0.899 20 5 CCBDHN NCc1ccnn1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001155125724 800915128 /nfs/dbraw/zinc/91/51/28/800915128.db2.gz XJYSJGQJNIFLTC-UHFFFAOYSA-N 0 3 264.201 0.542 20 5 CCBDHN Cc1cnc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001157761084 801473619 /nfs/dbraw/zinc/47/36/19/801473619.db2.gz MGKQOKHIEZQSJB-NXEZZACHSA-N 0 3 282.300 0.244 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCNC3(CC3)C2)n1 ZINC001158943709 801726134 /nfs/dbraw/zinc/72/61/34/801726134.db2.gz BRQHQLBZUQQSOU-UHFFFAOYSA-N 0 3 292.295 0.719 20 5 CCBDHN C[C@H](Nc1cccc([N+](=O)[O-])n1)[C@@H]1CNCCO1 ZINC001159495986 801821281 /nfs/dbraw/zinc/82/12/81/801821281.db2.gz HOYMHFNQSKOBQK-IUCAKERBSA-N 0 3 252.274 0.779 20 5 CCBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NS(=O)(=O)CCN ZINC001254534884 808258178 /nfs/dbraw/zinc/25/81/78/808258178.db2.gz CYQHVGZVJZJCBM-VIFPVBQESA-N 0 3 287.341 0.404 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1C[C@@H](O)[C@H](CO)C1)C2 ZINC001254592949 808264996 /nfs/dbraw/zinc/26/49/96/808264996.db2.gz HUCZBOOYMWEVRK-IACUBPJLSA-N 0 3 278.308 0.347 20 5 CCBDHN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC001263502075 809526707 /nfs/dbraw/zinc/52/67/07/809526707.db2.gz JYUFVNGAGGBELD-YIZRAAEISA-N 0 3 259.258 0.784 20 5 CCBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(C3COC3)CC2)C1 ZINC001169009123 836097153 /nfs/dbraw/zinc/09/71/53/836097153.db2.gz VQFUDBCJTXCQFM-NWDGAFQWSA-N 0 3 269.345 0.448 20 5 CCBDHN NCc1cnnn1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001169303729 836204437 /nfs/dbraw/zinc/20/44/37/836204437.db2.gz DZXNMVQZZNAIOU-UHFFFAOYSA-N 0 3 259.229 0.511 20 5 CCBDHN NCc1cnnn1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001169309139 836207863 /nfs/dbraw/zinc/20/78/63/836207863.db2.gz ZZABGHNDHIZURI-UHFFFAOYSA-N 0 3 254.637 0.683 20 5 CCBDHN Cc1nc(NCCN(C)CCOCCO)ccc1[N+](=O)[O-] ZINC001187422316 844722229 /nfs/dbraw/zinc/72/22/29/844722229.db2.gz HBSAKEBNDKJCRX-UHFFFAOYSA-N 0 3 298.343 0.651 20 5 CCBDHN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCCN1CCCO ZINC001324721314 912998082 /nfs/dbraw/zinc/99/80/82/912998082.db2.gz PLTXRYCCJBJBAQ-LBPRGKRZSA-N 0 3 294.355 0.979 20 5 CCBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CCCN3CCO)nc1 ZINC001334331436 919503451 /nfs/dbraw/zinc/50/34/51/919503451.db2.gz DJKKSMUKYVGQRO-NEPJUHHUSA-N 0 3 293.327 0.420 20 5 CCBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CCCN3CCO)nc1 ZINC001334331440 919504727 /nfs/dbraw/zinc/50/47/27/919504727.db2.gz DJKKSMUKYVGQRO-NWDGAFQWSA-N 0 3 293.327 0.420 20 5 CCBDHN O=C(N1CCCC[C@@H]1CNCC[N+](=O)[O-])C(F)(F)F ZINC001336828030 921045982 /nfs/dbraw/zinc/04/59/82/921045982.db2.gz DDDZYZDNCWHVOV-MRVPVSSYSA-N 0 3 283.250 0.796 20 5 CCBDHN O=[N+]([O-])CCN[C@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001336849506 921055450 /nfs/dbraw/zinc/05/54/50/921055450.db2.gz RODBUHBIVZVFGT-VIFPVBQESA-N 0 3 262.331 0.353 20 5 CCBDHN C[C@H](O)C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090589180 349438797 /nfs/dbraw/zinc/43/87/97/349438797.db2.gz VRQUFQKXAGQJFL-RYUDHWBXSA-N 0 3 295.339 0.992 20 5 CCBDHN CCOCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000093312115 349536997 /nfs/dbraw/zinc/53/69/97/349536997.db2.gz XCLIHOCTWBJRQV-NSHDSACASA-N 0 3 272.305 0.121 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1COCCN1 ZINC000600677833 362030766 /nfs/dbraw/zinc/03/07/66/362030766.db2.gz JBJDZHWLWJPWJL-GFCCVEGCSA-N 0 3 265.313 0.981 20 5 CCBDHN CC(C)(N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000083483882 178512943 /nfs/dbraw/zinc/51/29/43/178512943.db2.gz UHVHVQPRBBVUPY-UHFFFAOYSA-N 0 3 266.301 0.860 20 5 CCBDHN Cc1nn(C)c(NC[C@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000114708815 282274816 /nfs/dbraw/zinc/27/48/16/282274816.db2.gz NAQNYCKKHYGGRY-NSHDSACASA-N 0 3 297.359 0.895 20 5 CCBDHN Cc1cccc(C(=O)NC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC000157350873 290710510 /nfs/dbraw/zinc/71/05/10/290710510.db2.gz HXNLEICDVKMEQF-SNVBAGLBSA-N 0 3 279.296 0.621 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000127277348 187294248 /nfs/dbraw/zinc/29/42/48/187294248.db2.gz ZCJVHFZNJQNCDV-JTQLQIEISA-N 0 3 281.316 0.392 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000602508459 362650741 /nfs/dbraw/zinc/65/07/41/362650741.db2.gz CKPOVNKJNMVFGG-MRVPVSSYSA-N 0 3 283.259 0.452 20 5 CCBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000119489485 349938511 /nfs/dbraw/zinc/93/85/11/349938511.db2.gz LYRFMOYXPHVUCG-JTQLQIEISA-N 0 3 295.343 0.885 20 5 CCBDHN CCN1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000120001010 349965983 /nfs/dbraw/zinc/96/59/83/349965983.db2.gz VBQXMCIOCWUZIX-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cnn(C)c1 ZINC000314384032 137078871 /nfs/dbraw/zinc/07/88/71/137078871.db2.gz UDOBFKVOHNETCK-JOYOIKCWSA-N 0 3 294.315 0.237 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343529163 137140204 /nfs/dbraw/zinc/14/02/04/137140204.db2.gz VSYSILHHZPHGIM-ZYHUDNBSSA-N 0 3 295.343 0.780 20 5 CCBDHN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCCN1C ZINC000343553938 137141294 /nfs/dbraw/zinc/14/12/94/137141294.db2.gz VKQZLGZAVWLFOR-YUMQZZPRSA-N 0 3 266.305 0.692 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000343717206 137151841 /nfs/dbraw/zinc/15/18/41/137151841.db2.gz SAUQDIFQIZMKIP-NTZNESFSSA-N 0 3 296.323 0.647 20 5 CCBDHN Cc1ccn(CCCN2CCN(C)CC2)c(=O)c1[N+](=O)[O-] ZINC000344075344 137175891 /nfs/dbraw/zinc/17/58/91/137175891.db2.gz NJSBDJWBUTUKIQ-UHFFFAOYSA-N 0 3 294.355 0.702 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN1C ZINC000343310932 137126938 /nfs/dbraw/zinc/12/69/38/137126938.db2.gz XMQLYZUOUISTHG-JGVFFNPUSA-N 0 3 267.289 0.530 20 5 CCBDHN O=C(Cn1cnc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000026124361 348092943 /nfs/dbraw/zinc/09/29/43/348092943.db2.gz SJXUQJPGPDDVDA-UHFFFAOYSA-N 0 3 293.327 0.534 20 5 CCBDHN CN(C)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000035098432 348155895 /nfs/dbraw/zinc/15/58/95/348155895.db2.gz OLOHZGNNTAGMRJ-UHFFFAOYSA-N 0 3 277.284 0.805 20 5 CCBDHN O=C(CNCCc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000040676158 348241029 /nfs/dbraw/zinc/24/10/29/348241029.db2.gz LESPRFACFDSXLI-UHFFFAOYSA-N 0 3 293.323 0.586 20 5 CCBDHN Cn1cc(CN[C@@H](CO)C2CCC2)c([N+](=O)[O-])n1 ZINC000602882981 362863305 /nfs/dbraw/zinc/86/33/05/362863305.db2.gz FLPVGOQLRWAKRW-JTQLQIEISA-N 0 3 254.290 0.579 20 5 CCBDHN CC[C@@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040858300 348245360 /nfs/dbraw/zinc/24/53/60/348245360.db2.gz JREABORYMHXFFW-LLVKDONJSA-N 0 3 292.339 0.981 20 5 CCBDHN CNCCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000054244478 348545470 /nfs/dbraw/zinc/54/54/70/348545470.db2.gz PYMMDAYSPXXXTD-UHFFFAOYSA-N 0 3 289.313 0.101 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)N(C)C ZINC000065843459 348727228 /nfs/dbraw/zinc/72/72/28/348727228.db2.gz DFYSPSVVSZGSKC-MRVPVSSYSA-N 0 3 269.305 0.166 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000139757622 350448661 /nfs/dbraw/zinc/44/86/61/350448661.db2.gz VWXULMYQOMOTIR-MRVPVSSYSA-N 0 3 252.274 0.747 20 5 CCBDHN COCCNCCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000162293783 350740582 /nfs/dbraw/zinc/74/05/82/350740582.db2.gz VTQJMDXQZNJEMA-UHFFFAOYSA-N 0 3 297.311 0.569 20 5 CCBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000111151510 186360082 /nfs/dbraw/zinc/36/00/82/186360082.db2.gz UKDHXVCISRIMNV-UHFFFAOYSA-N 0 3 266.301 0.811 20 5 CCBDHN C[C@H]1C[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000172623063 351000457 /nfs/dbraw/zinc/00/04/57/351000457.db2.gz BYDRANTVHLUAPE-QWRGUYRKSA-N 0 3 295.343 0.732 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000176227489 351162143 /nfs/dbraw/zinc/16/21/43/351162143.db2.gz GAYKNIAJZPBAFO-SNVBAGLBSA-N 0 3 254.290 0.902 20 5 CCBDHN CO[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176228463 351163070 /nfs/dbraw/zinc/16/30/70/351163070.db2.gz YILILIIIQAJZSP-JTQLQIEISA-N 0 3 254.290 0.902 20 5 CCBDHN C[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192758994 351796983 /nfs/dbraw/zinc/79/69/83/351796983.db2.gz QDBBWTFLZIZVQL-UWVGGRQHSA-N 0 3 266.301 0.857 20 5 CCBDHN CO[C@@H](CN)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000227361079 352047625 /nfs/dbraw/zinc/04/76/25/352047625.db2.gz NLGGBRMTBUKHME-KCJUWKMLSA-N 0 3 267.285 0.746 20 5 CCBDHN COCCNCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000237321920 352261044 /nfs/dbraw/zinc/26/10/44/352261044.db2.gz GCYCWMSYDVONMW-UHFFFAOYSA-N 0 3 282.300 0.143 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000237593315 352273982 /nfs/dbraw/zinc/27/39/82/352273982.db2.gz IVGKRCJXTFADFE-UWVGGRQHSA-N 0 3 295.343 0.699 20 5 CCBDHN Cc1ccc(S(=O)(=O)NC2CNC2)c([N+](=O)[O-])c1 ZINC000237738400 352280685 /nfs/dbraw/zinc/28/06/85/352280685.db2.gz CHXUFDIGEPCVRZ-UHFFFAOYSA-N 0 3 271.298 0.153 20 5 CCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCN(C2CC2)C1 ZINC000604505307 363199543 /nfs/dbraw/zinc/19/95/43/363199543.db2.gz BMNIFBUHHPDREF-VIFPVBQESA-N 0 3 279.300 0.144 20 5 CCBDHN COCCN(C)C[C@H](O)Cn1c(C)c([N+](=O)[O-])ccc1=O ZINC000314489801 354222374 /nfs/dbraw/zinc/22/23/74/354222374.db2.gz KKRZVTOJJDNLDG-NSHDSACASA-N 0 3 299.327 0.004 20 5 CCBDHN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1CCOC1 ZINC000330418039 354351087 /nfs/dbraw/zinc/35/10/87/354351087.db2.gz WHGPGKGBXQNRLP-RKDXNWHRSA-N 0 3 254.290 0.843 20 5 CCBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000619254233 366223911 /nfs/dbraw/zinc/22/39/11/366223911.db2.gz KEASWJMTUGOCNO-CYBMUJFWSA-N 0 3 297.311 0.717 20 5 CCBDHN C[C@H]1COCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331432939 354572989 /nfs/dbraw/zinc/57/29/89/354572989.db2.gz DBCACKDWUAUUGF-PWSUYJOCSA-N 0 3 284.316 0.121 20 5 CCBDHN C[C@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341584102 355698549 /nfs/dbraw/zinc/69/85/49/355698549.db2.gz LNCLMXCGDAFBOU-NSHDSACASA-N 0 3 280.328 0.392 20 5 CCBDHN O=[N+]([O-])c1ccn(C2CCN([C@@H]3COC[C@@H]3O)CC2)n1 ZINC000361382249 138033466 /nfs/dbraw/zinc/03/34/66/138033466.db2.gz UEGNQDGPRHZVHW-MNOVXSKESA-N 0 3 282.300 0.188 20 5 CCBDHN COC(=O)C[C@@]1(NCCn2ccc([N+](=O)[O-])n2)CCOC1 ZINC000362287712 138053922 /nfs/dbraw/zinc/05/39/22/138053922.db2.gz WOWCNYLBGZVXCK-LBPRGKRZSA-N 0 3 298.299 0.103 20 5 CCBDHN CC(C)[C@H](CCO)NCc1c([N+](=O)[O-])ncn1C ZINC000355063799 356563436 /nfs/dbraw/zinc/56/34/36/356563436.db2.gz XISYTUQEFPGOPE-VIFPVBQESA-N 0 3 256.306 0.825 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCCN1CCCCCC1 ZINC000356153833 356712188 /nfs/dbraw/zinc/71/21/88/356712188.db2.gz UKGPRMWDYYCJLL-UHFFFAOYSA-N 0 3 295.343 0.934 20 5 CCBDHN CCCN(CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000269809642 283265806 /nfs/dbraw/zinc/26/58/06/283265806.db2.gz BPRHMJNRAGSEOZ-UHFFFAOYSA-N 0 3 269.301 0.461 20 5 CCBDHN CN(C)CCO[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000610764382 363609848 /nfs/dbraw/zinc/60/98/48/363609848.db2.gz BKDXUKJZGQDSIX-JTQLQIEISA-N 0 3 283.332 0.485 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H](CO)CN(C)C ZINC000589102054 359359086 /nfs/dbraw/zinc/35/90/86/359359086.db2.gz XAVNQGSSOMUXKN-VIFPVBQESA-N 0 3 254.290 0.633 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000588863825 359343447 /nfs/dbraw/zinc/34/34/47/359343447.db2.gz WQTYBUVEMKKURH-QMMMGPOBSA-N 0 3 285.275 0.386 20 5 CCBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860829 359343613 /nfs/dbraw/zinc/34/36/13/359343613.db2.gz LYPHIOASVQDBKO-GXSJLCMTSA-N 0 3 294.311 0.204 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000588864726 359344233 /nfs/dbraw/zinc/34/42/33/359344233.db2.gz PNXQXQCQTLLGHK-SECBINFHSA-N 0 3 267.285 0.247 20 5 CCBDHN O=C(N[C@H](CO)CN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000588867227 359344317 /nfs/dbraw/zinc/34/43/17/359344317.db2.gz MHWOVHZHWCDOPR-NSHDSACASA-N 0 3 293.323 0.781 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442475 359465684 /nfs/dbraw/zinc/46/56/84/359465684.db2.gz HEVXJNSOFPCWQL-UWVGGRQHSA-N 0 3 293.327 0.413 20 5 CCBDHN Cc1nc(N2CCNC[C@](C)(F)C2)ncc1[N+](=O)[O-] ZINC000591442079 359593190 /nfs/dbraw/zinc/59/31/90/359593190.db2.gz AFTSVBYONGGUPI-NSHDSACASA-N 0 3 269.280 0.831 20 5 CCBDHN COC(=O)[C@@H]1CNCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000592434668 359840739 /nfs/dbraw/zinc/84/07/39/359840739.db2.gz LWOGZGGXJZATQH-JTQLQIEISA-N 0 3 299.352 0.993 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000177185694 189034919 /nfs/dbraw/zinc/03/49/19/189034919.db2.gz CZICOTJDSSUCAY-UWVGGRQHSA-N 0 3 293.327 0.533 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CN)C(F)(F)F ZINC000594450951 360315015 /nfs/dbraw/zinc/31/50/15/360315015.db2.gz AEJYCQPACHNBBP-LURJTMIESA-N 0 3 295.221 0.106 20 5 CCBDHN Cc1cc([N+](=O)[O-])cn(C[C@@H]2CNCCO2)c1=O ZINC000594697986 360362164 /nfs/dbraw/zinc/36/21/64/360362164.db2.gz FFAHLBDOGZLIAB-JTQLQIEISA-N 0 3 253.258 0.053 20 5 CCBDHN N[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[C@H]1F ZINC000595261346 360464281 /nfs/dbraw/zinc/46/42/81/360464281.db2.gz XJQHRQPRIGEDLX-NXEZZACHSA-N 0 3 285.279 0.079 20 5 CCBDHN CN(Cc1cnc[nH]1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595595398 360593208 /nfs/dbraw/zinc/59/32/08/360593208.db2.gz GMKDAIQGTSMFBR-NSHDSACASA-N 0 3 280.288 0.007 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595830295 360671664 /nfs/dbraw/zinc/67/16/64/360671664.db2.gz JZBWCBIHTYWDHL-GHMZBOCLSA-N 0 3 266.301 0.760 20 5 CCBDHN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCN(C4CC4)C3)nn21 ZINC000596091966 360791743 /nfs/dbraw/zinc/79/17/43/360791743.db2.gz QTNMBOBWBDQBJG-SECBINFHSA-N 0 3 288.311 0.708 20 5 CCBDHN C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC000596050509 360781147 /nfs/dbraw/zinc/78/11/47/360781147.db2.gz KPDVEELCSQOMRD-SNVBAGLBSA-N 0 3 286.313 0.020 20 5 CCBDHN O=c1[nH]ccc(NC[C@H]2CN3CCN2CC3)c1[N+](=O)[O-] ZINC000596170296 360820842 /nfs/dbraw/zinc/82/08/42/360820842.db2.gz QIIDABCOKDUJSK-VIFPVBQESA-N 0 3 279.300 0.107 20 5 CCBDHN CCCN1CC[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000596517296 360913847 /nfs/dbraw/zinc/91/38/47/360913847.db2.gz LSMIWEKZTFFPBD-SECBINFHSA-N 0 3 293.327 0.985 20 5 CCBDHN CC(C)(C)N1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000597925410 361285067 /nfs/dbraw/zinc/28/50/67/361285067.db2.gz ORKRKGRQHIHFON-JTQLQIEISA-N 0 3 295.343 0.780 20 5 CCBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000597859887 361272390 /nfs/dbraw/zinc/27/23/90/361272390.db2.gz ZWCNNAXSDIICHF-SNVBAGLBSA-N 0 3 295.343 0.780 20 5 CCBDHN CC(C)[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000598574641 361447435 /nfs/dbraw/zinc/44/74/35/361447435.db2.gz SJOBWRZRPBNEKO-LBPRGKRZSA-N 0 3 295.343 0.638 20 5 CCBDHN C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCCC1 ZINC000565181885 291353443 /nfs/dbraw/zinc/35/34/43/291353443.db2.gz PEVAINIDSOYHFE-SECBINFHSA-N 0 3 293.327 0.616 20 5 CCBDHN O=C(C[C@H]1CNCCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000430389082 283871294 /nfs/dbraw/zinc/87/12/94/283871294.db2.gz ZRFNDLWVOWSHQL-JTQLQIEISA-N 0 3 291.307 0.862 20 5 CCBDHN N[C@H]1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565234235 291364440 /nfs/dbraw/zinc/36/44/40/291364440.db2.gz SHLZIZMBKRWJTO-STQMWFEESA-N 0 3 290.323 0.339 20 5 CCBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000566228475 291379304 /nfs/dbraw/zinc/37/93/04/291379304.db2.gz XALABRIIGZGROU-UHFFFAOYSA-N 0 3 288.329 0.268 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330888997 203355618 /nfs/dbraw/zinc/35/56/18/203355618.db2.gz AXQRPTRPMREKLS-MWLCHTKSSA-N 0 3 295.343 0.699 20 5 CCBDHN O=C(N[C@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298644738 284160593 /nfs/dbraw/zinc/16/05/93/284160593.db2.gz RRHDJEHJKCCNMN-JTQLQIEISA-N 0 3 296.327 0.500 20 5 CCBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000574465155 335022335 /nfs/dbraw/zinc/02/23/35/335022335.db2.gz DBAPEMKOJZMHLV-NXEZZACHSA-N 0 3 291.311 0.046 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CCN[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000262898098 190064598 /nfs/dbraw/zinc/06/45/98/190064598.db2.gz XKQPBKCWXKHVIH-APPZFPTMSA-N 0 3 281.316 0.459 20 5 CCBDHN COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000264445588 190109860 /nfs/dbraw/zinc/10/98/60/190109860.db2.gz CIMPLRRZQRWQAZ-SECBINFHSA-N 0 3 282.300 0.373 20 5 CCBDHN COCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000264445588 190109861 /nfs/dbraw/zinc/10/98/61/190109861.db2.gz CIMPLRRZQRWQAZ-SECBINFHSA-N 0 3 282.300 0.373 20 5 CCBDHN CO[C@H](CN)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423854183 249014443 /nfs/dbraw/zinc/01/44/43/249014443.db2.gz VFRSJAUMUZHOOA-SNVBAGLBSA-N 0 3 287.703 0.838 20 5 CCBDHN CC[C@@H](N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000514936374 249112494 /nfs/dbraw/zinc/11/24/94/249112494.db2.gz NPGOWKGREVLJIN-SNVBAGLBSA-N 0 3 281.316 0.692 20 5 CCBDHN Cc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000124333147 284701381 /nfs/dbraw/zinc/70/13/81/284701381.db2.gz TZLAXVWKGDBTDO-LBPRGKRZSA-N 0 3 292.339 0.618 20 5 CCBDHN Cc1n[nH]c(C(=O)NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000520829880 285275362 /nfs/dbraw/zinc/27/53/62/285275362.db2.gz XOGSPXZGOCHTLX-SECBINFHSA-N 0 3 281.316 0.698 20 5 CCBDHN CN(CCN(C)C1CC1)CCn1ccc([N+](=O)[O-])n1 ZINC000186791725 388852396 /nfs/dbraw/zinc/85/23/96/388852396.db2.gz XDALTPPVTPKUBY-UHFFFAOYSA-N 0 3 267.333 0.817 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC1(CO)CC1 ZINC000186815618 388853776 /nfs/dbraw/zinc/85/37/76/388853776.db2.gz FBIZBICRKNIZGL-UHFFFAOYSA-N 0 3 254.290 0.496 20 5 CCBDHN C[C@@H]1CCCN(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000046861324 388876751 /nfs/dbraw/zinc/87/67/51/388876751.db2.gz DLYLAJWHDMVBTB-LLVKDONJSA-N 0 3 295.343 0.639 20 5 CCBDHN NC(=O)c1cccc(N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000342227633 389201406 /nfs/dbraw/zinc/20/14/06/389201406.db2.gz PNSKHCRPRVHLIU-JTQLQIEISA-N 0 3 290.323 0.978 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@H](C)N(C)C)c1 ZINC000358858686 389161442 /nfs/dbraw/zinc/16/14/42/389161442.db2.gz IDTURSHSFBEKNW-QMMMGPOBSA-N 0 3 283.284 0.493 20 5 CCBDHN COCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000352021114 389737196 /nfs/dbraw/zinc/73/71/96/389737196.db2.gz KAZCSULIWGAODN-LBPRGKRZSA-N 0 3 284.316 0.263 20 5 CCBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](F)CN1 ZINC000446193402 389932207 /nfs/dbraw/zinc/93/22/07/389932207.db2.gz VBFYADLJOFIALW-JOYOIKCWSA-N 0 3 296.302 0.823 20 5 CCBDHN CNCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420421573 390000262 /nfs/dbraw/zinc/00/02/62/390000262.db2.gz OZVPFKPTUPNKRR-UHFFFAOYSA-N 0 3 287.341 0.709 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420433724 390002913 /nfs/dbraw/zinc/00/29/13/390002913.db2.gz DDZNREMFKLBOCR-DTWKUNHWSA-N 0 3 287.341 0.917 20 5 CCBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2C[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000440831682 390045861 /nfs/dbraw/zinc/04/58/61/390045861.db2.gz JXLSXZKZUOQFRX-MGCOHNPYSA-N 0 3 299.352 0.980 20 5 CCBDHN CC(C)(CN1CCCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000457040359 390025456 /nfs/dbraw/zinc/02/54/56/390025456.db2.gz FKYRVZMMWIFYKL-UHFFFAOYSA-N 0 3 281.316 0.922 20 5 CCBDHN COCCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCO[C@@H]1C ZINC000489450659 390100343 /nfs/dbraw/zinc/10/03/43/390100343.db2.gz PZCAYYCBHCWRBP-NEPJUHHUSA-N 0 3 298.343 0.917 20 5 CCBDHN C[C@@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000524774491 390654583 /nfs/dbraw/zinc/65/45/83/390654583.db2.gz LACFTAQDWYCIGQ-SECBINFHSA-N 0 3 266.301 0.995 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000566868295 390656271 /nfs/dbraw/zinc/65/62/71/390656271.db2.gz YXQBRUZMWJXRDO-SSDOTTSWSA-N 0 3 253.262 0.142 20 5 CCBDHN O=C(C[C@H]1CSCCN1)NCCn1cc([N+](=O)[O-])cn1 ZINC000567670953 390709838 /nfs/dbraw/zinc/70/98/38/390709838.db2.gz SXNBZEZUNZRKTD-VIFPVBQESA-N 0 3 299.356 0.003 20 5 CCBDHN CCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000572016005 390764462 /nfs/dbraw/zinc/76/44/62/390764462.db2.gz SJBJBIFLUULMDO-VIFPVBQESA-N 0 3 289.719 0.723 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@]23CCOC3)c1 ZINC000341963262 130177508 /nfs/dbraw/zinc/17/75/08/130177508.db2.gz FLPVXSCSNSRDGA-STQMWFEESA-N 0 3 296.327 0.407 20 5 CCBDHN CN(C)CCOCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357459181 144093695 /nfs/dbraw/zinc/09/36/95/144093695.db2.gz NVSHDVGPHGWXET-UHFFFAOYSA-N 0 3 297.315 0.079 20 5 CCBDHN CCC[C@@H]1CNCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000359247654 144206006 /nfs/dbraw/zinc/20/60/06/144206006.db2.gz UJCWHXDRHHCMNO-SECBINFHSA-N 0 3 281.316 0.840 20 5 CCBDHN CCC[C@@H]1CNCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000359247654 144206008 /nfs/dbraw/zinc/20/60/08/144206008.db2.gz UJCWHXDRHHCMNO-SECBINFHSA-N 0 3 281.316 0.840 20 5 CCBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)CN1 ZINC000368182225 144211030 /nfs/dbraw/zinc/21/10/30/144211030.db2.gz DMZIJZHGJCVRJD-UWVGGRQHSA-N 0 3 297.286 0.790 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](N2CCCC2)C1 ZINC000371825344 144345607 /nfs/dbraw/zinc/34/56/07/144345607.db2.gz SJXDLNNDCPTCSX-NSHDSACASA-N 0 3 279.344 0.998 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285469716 196294445 /nfs/dbraw/zinc/29/44/45/196294445.db2.gz HLDNRRSYWSBKRL-ZETCQYMHSA-N 0 3 253.262 0.142 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285658036 196357450 /nfs/dbraw/zinc/35/74/50/196357450.db2.gz MAZWDYOZOWKZMF-XCBNKYQSSA-N 0 3 279.300 0.530 20 5 CCBDHN CC(C)N1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)C1 ZINC000126290009 544595219 /nfs/dbraw/zinc/59/52/19/544595219.db2.gz YRJJKVDINUFNKO-UWVGGRQHSA-N 0 3 295.343 0.787 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CC[C@@H](C)C1 ZINC000525805792 262368682 /nfs/dbraw/zinc/36/86/82/262368682.db2.gz UOTUVQSTLPAXPK-SNVBAGLBSA-N 0 3 295.343 0.558 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356742925 274342310 /nfs/dbraw/zinc/34/23/10/274342310.db2.gz URFKTBRKKJRKSN-SCZZXKLOSA-N 0 3 293.327 0.541 20 5 CCBDHN CS[C@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1N(C)C ZINC000270410651 278167558 /nfs/dbraw/zinc/16/75/58/278167558.db2.gz XGQKKIMQUMCEGC-IUCAKERBSA-N 0 3 285.373 0.810 20 5 CCBDHN C[C@H](O)CN(CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000289368421 278288857 /nfs/dbraw/zinc/28/88/57/278288857.db2.gz BBFPDAMWEIIMSN-NSHDSACASA-N 0 3 268.313 0.812 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000582973853 329297364 /nfs/dbraw/zinc/29/73/64/329297364.db2.gz LPKTXMMQWCUWIN-ZETCQYMHSA-N 0 3 267.289 0.082 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCNC[C@H]2C(F)F)c1 ZINC000576521109 335214431 /nfs/dbraw/zinc/21/44/31/335214431.db2.gz LRASMJCYKLCYPX-VIFPVBQESA-N 0 3 275.259 0.330 20 5 CCBDHN O=C(N[C@H]1CNCCC1(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC000423702407 534813120 /nfs/dbraw/zinc/81/31/20/534813120.db2.gz YGMXLMRYNBCPBL-LURJTMIESA-N 0 3 275.215 0.045 20 5 CCBDHN Cc1c(C(=O)NC[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000157352373 525626757 /nfs/dbraw/zinc/62/67/57/525626757.db2.gz IGZLUYBHJNSGJV-SNVBAGLBSA-N 0 3 279.296 0.621 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000358085393 536480633 /nfs/dbraw/zinc/48/06/33/536480633.db2.gz XWMDZCYCEFUICF-ZDUSSCGKSA-N 0 3 279.296 0.391 20 5 CCBDHN CC(C)N1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000450951724 529063678 /nfs/dbraw/zinc/06/36/78/529063678.db2.gz QJUNAPXFHZDXPP-SECBINFHSA-N 0 3 280.332 0.716 20 5 CCBDHN C[C@H](CO)N(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000792931346 581276545 /nfs/dbraw/zinc/27/65/45/581276545.db2.gz RIPZBLAWLKIEAU-BXKDBHETSA-N 0 3 254.286 0.941 20 5 CCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN(C)C ZINC000204744630 581360632 /nfs/dbraw/zinc/36/06/32/581360632.db2.gz DVYPNKJPRQXPGH-UHFFFAOYSA-N 0 3 267.285 0.895 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H](O)c2ccco2)c1 ZINC000743259949 581805414 /nfs/dbraw/zinc/80/54/14/581805414.db2.gz RGJJSDBIGDYLMD-WDEREUQCSA-N 0 3 296.283 0.068 20 5 CCBDHN CC(=O)NCCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813103621 613720591 /nfs/dbraw/zinc/72/05/91/613720591.db2.gz RQLKCVLGDFHEIL-VIFPVBQESA-N 0 3 260.290 0.891 20 5 CCBDHN CC(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813110484 613864004 /nfs/dbraw/zinc/86/40/04/613864004.db2.gz BQNKYTPQLQBVIG-SCZZXKLOSA-N 0 3 258.274 0.453 20 5 CCBDHN CC(C)(CCc1noc(C[C@H]2CNCCO2)n1)[N+](=O)[O-] ZINC000843232774 614086774 /nfs/dbraw/zinc/08/67/74/614086774.db2.gz CGOAIODGMGWKCI-VIFPVBQESA-N 0 3 284.316 0.588 20 5 CCBDHN CC(C)C(=O)N1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108226 614367020 /nfs/dbraw/zinc/36/70/20/614367020.db2.gz WCLQWEDWKPTUPB-ZJUUUORDSA-N 0 3 272.301 0.842 20 5 CCBDHN CN(CCO)CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000912611725 616099976 /nfs/dbraw/zinc/09/99/76/616099976.db2.gz VTVHPMNDLMJCGS-UHFFFAOYSA-N 0 3 295.339 0.520 20 5 CCBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000874845644 616198474 /nfs/dbraw/zinc/19/84/74/616198474.db2.gz XGBMVXNOSMRIGF-NWDGAFQWSA-N 0 3 293.327 0.486 20 5 CCBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000874831036 616216790 /nfs/dbraw/zinc/21/67/90/616216790.db2.gz XEZRLDWRUFIKIY-ZJUUUORDSA-N 0 3 279.300 0.627 20 5 CCBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCC1(C)C ZINC000871156549 616230007 /nfs/dbraw/zinc/23/00/07/616230007.db2.gz DYFPQSBALYLWSU-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN CN1C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000818994323 616297642 /nfs/dbraw/zinc/29/76/42/616297642.db2.gz FFACKJGSSLBOIY-JQWIXIFHSA-N 0 3 279.296 0.449 20 5 CCBDHN COCCOc1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114790 616598651 /nfs/dbraw/zinc/59/86/51/616598651.db2.gz WODCANCAJIDBJY-VIFPVBQESA-N 0 3 284.268 0.929 20 5 CCBDHN Cc1nc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC001020140094 625289327 /nfs/dbraw/zinc/28/93/27/625289327.db2.gz YHBWLSGJAAYUOJ-CNVPUSNMSA-N 0 3 294.311 0.385 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](O)C1(C)C ZINC000312052159 625360399 /nfs/dbraw/zinc/36/03/99/625360399.db2.gz XMGBHTNONIVDQQ-SNVBAGLBSA-N 0 3 268.317 0.945 20 5 CCBDHN CC(COC(=O)c1cnc2c(cnn2C)c1)[N+](=O)[O-] ZINC000813110161 624654650 /nfs/dbraw/zinc/65/46/50/624654650.db2.gz UCXMDFZOEXXCJY-SSDOTTSWSA-N 0 3 264.241 0.790 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000928458061 631872320 /nfs/dbraw/zinc/87/23/20/631872320.db2.gz RFCVPYFVIURSPU-BDAKNGLRSA-N 0 3 267.289 0.000 20 5 CCBDHN O=C(NC1CCN(C/C=C/Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789614 639455739 /nfs/dbraw/zinc/45/57/39/639455739.db2.gz WARZXCMICXTREF-HOXXMDGGSA-N 0 3 287.747 0.985 20 5 CCBDHN CC(COC(=O)c1cn(C2CCC2)nn1)[N+](=O)[O-] ZINC000842802331 640234404 /nfs/dbraw/zinc/23/44/04/640234404.db2.gz VODCRKPIMAOBLZ-ZETCQYMHSA-N 0 3 254.246 0.825 20 5 CCBDHN CC(COC(=O)[C@H](C)Sc1nncn1C)[N+](=O)[O-] ZINC000813104124 641022786 /nfs/dbraw/zinc/02/27/86/641022786.db2.gz KIUVTBPXUKVSFL-BQBZGAKWSA-N 0 3 274.302 0.504 20 5 CCBDHN CC(COC(=O)CN(C)[C@@H]1CCSC1)[N+](=O)[O-] ZINC000813109738 641023727 /nfs/dbraw/zinc/02/37/27/641023727.db2.gz VVVQLNGCPIBAJU-RKDXNWHRSA-N 0 3 262.331 0.632 20 5 CCBDHN CC(COC(=O)Cn1c2ccccc2n(C)c1=O)[N+](=O)[O-] ZINC000813114036 641024666 /nfs/dbraw/zinc/02/46/66/641024666.db2.gz LJXOWTPBKPPFOP-SECBINFHSA-N 0 3 293.279 0.548 20 5 CCBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)C1CC1)[N+](=O)[O-] ZINC000842802456 642955931 /nfs/dbraw/zinc/95/59/31/642955931.db2.gz ZIWOHZFDFIZPTK-WPRPVWTQSA-N 0 3 270.285 0.596 20 5 CCBDHN CC(COC(=O)c1cncc(N2CCCC2)n1)[N+](=O)[O-] ZINC000870376448 645987242 /nfs/dbraw/zinc/98/72/42/645987242.db2.gz JRSOGLMFZONLTO-VIFPVBQESA-N 0 3 280.284 0.899 20 5 CCBDHN Cc1c[nH]c(CNC(=O)c2[n-]ncc2[N+](=O)[O-])[nH+]1 ZINC001149597431 800279774 /nfs/dbraw/zinc/27/97/74/800279774.db2.gz AZYQCPURAKDUMT-UHFFFAOYSA-N 0 3 250.218 0.279 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2cnc(CN)c2)n1 ZINC001154910403 800868628 /nfs/dbraw/zinc/86/86/28/800868628.db2.gz IVQGTVIXUNPHSJ-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN NCc1cnnn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001158420092 801639984 /nfs/dbraw/zinc/63/99/84/801639984.db2.gz AWMVCFFHFSLOKM-UHFFFAOYSA-N 0 3 254.637 0.683 20 5 CCBDHN NCc1cnnn1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001158420504 801640142 /nfs/dbraw/zinc/64/01/42/801640142.db2.gz REMLFVWPHOOWOO-UHFFFAOYSA-N 0 3 255.625 0.078 20 5 CCBDHN COc1nc(C)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2CNCCO2)n1 ZINC001159500848 801825651 /nfs/dbraw/zinc/82/56/51/801825651.db2.gz XWFAWSHGNMDVPF-APPZFPTMSA-N 0 3 297.315 0.491 20 5 CCBDHN COc1nc(-n2cnc(CN)c2)nc(C)c1[N+](=O)[O-] ZINC001162296527 802302620 /nfs/dbraw/zinc/30/26/20/802302620.db2.gz HBCNNXWXJZQXNT-UHFFFAOYSA-N 0 3 264.245 0.346 20 5 CCBDHN Cc1c(F)cc([N+](=O)[O-])cc1N(C)S(=O)(=O)CCN ZINC001164300154 802712126 /nfs/dbraw/zinc/71/21/26/802712126.db2.gz JALZVHVTSJRLGD-UHFFFAOYSA-N 0 3 291.304 0.767 20 5 CCBDHN Cc1ncc([N+](=O)[O-])c(-n2ncc3c2CCNC3)n1 ZINC001165219091 802798764 /nfs/dbraw/zinc/79/87/64/802798764.db2.gz QDJSOXVPSPGYAH-UHFFFAOYSA-N 0 3 260.257 0.525 20 5 CCBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CNCCN2)n1 ZINC001247718097 807484003 /nfs/dbraw/zinc/48/40/03/807484003.db2.gz WCJFJQOINWXBDN-SSDOTTSWSA-N 0 3 294.246 0.413 20 5 CCBDHN O=C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC001254600856 808266361 /nfs/dbraw/zinc/26/63/61/808266361.db2.gz WGIUGZBOKADSHW-CYBMUJFWSA-N 0 3 275.308 0.884 20 5 CCBDHN CN1CCN(C(=N)Nc2nccc(N)c2[N+](=O)[O-])CC1 ZINC001168736910 818556365 /nfs/dbraw/zinc/55/63/65/818556365.db2.gz RQONEKUFPGHGPK-UHFFFAOYSA-N 0 3 279.304 0.166 20 5 CCBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(CCCO)CC2)C1 ZINC001169010929 836099810 /nfs/dbraw/zinc/09/98/10/836099810.db2.gz GHBPWRLLFHQJSO-QWHCGFSZSA-N 0 3 271.361 0.432 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])ncc1-n1ccc([C@@H](C)N)n1 ZINC001169234903 836168453 /nfs/dbraw/zinc/16/84/53/836168453.db2.gz MVBJYSXTNQWYBJ-SSDOTTSWSA-N 0 3 291.267 0.982 20 5 CCBDHN COc1nc(N[C@@H](C)[C@H]2CNCCO2)nc(C)c1[N+](=O)[O-] ZINC001170562317 838108237 /nfs/dbraw/zinc/10/82/37/838108237.db2.gz IFKXEMCMAXBTJL-IONNQARKSA-N 0 3 297.315 0.491 20 5 CCBDHN COc1cc(N[C@@H](C)[C@@H]2CNCCO2)cnc1[N+](=O)[O-] ZINC001170570240 838141409 /nfs/dbraw/zinc/14/14/09/838141409.db2.gz KYQLZRUVQIMOTA-KWQFWETISA-N 0 3 282.300 0.787 20 5 CCBDHN C[C@H](Nc1cnc([N+](=O)[O-])cn1)[C@@H]1CNCCO1 ZINC001170572202 838146923 /nfs/dbraw/zinc/14/69/23/838146923.db2.gz PIOGIWVXIZJGFZ-YUMQZZPRSA-N 0 3 253.262 0.174 20 5 CCBDHN C[C@H](Nc1cnc(F)c([N+](=O)[O-])c1)[C@H]1CNCCO1 ZINC001170575864 838163592 /nfs/dbraw/zinc/16/35/92/838163592.db2.gz XNJFVIGRWXAKEW-OIBJUYFYSA-N 0 3 270.264 0.918 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000716713556 841673561 /nfs/dbraw/zinc/67/35/61/841673561.db2.gz LZYNDTZUEJIVTO-MRVPVSSYSA-N 0 3 285.275 0.386 20 5 CCBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])c[nH]1 ZINC001292419616 906212604 /nfs/dbraw/zinc/21/26/04/906212604.db2.gz LCSJODOXOFMSDR-KOLCDFICSA-N 0 3 294.311 0.516 20 5 CCBDHN O=C1OC[C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC001307977910 908370483 /nfs/dbraw/zinc/37/04/83/908370483.db2.gz YWTFGYWHSLJSQX-DRZSPHRISA-N 0 3 292.291 0.733 20 5 CCBDHN CNC(=O)CCC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001308249652 908400889 /nfs/dbraw/zinc/40/08/89/908400889.db2.gz JZZICFZNRADDHC-UHFFFAOYSA-N 0 3 297.311 0.925 20 5 CCBDHN Cc1ncc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001317584683 909384098 /nfs/dbraw/zinc/38/40/98/909384098.db2.gz FSTCFQIZWXFLSX-GHMZBOCLSA-N 0 3 282.300 0.196 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001340615878 922141695 /nfs/dbraw/zinc/14/16/95/922141695.db2.gz PISZYQNLXYOEIG-SNVBAGLBSA-N 0 3 291.307 0.764 20 5 CCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1COC2(CNC2)C1 ZINC001340616562 922142137 /nfs/dbraw/zinc/14/21/37/922142137.db2.gz UQCFLCFCUCSQMR-LLVKDONJSA-N 0 3 291.307 0.384 20 5 CCBDHN C[C@H](O)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090529742 349438359 /nfs/dbraw/zinc/43/83/59/349438359.db2.gz LTTIPEMCLISZLA-AAEUAGOBSA-N 0 3 295.339 0.992 20 5 CCBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cnn(C)c1 ZINC000090538158 349438938 /nfs/dbraw/zinc/43/89/38/349438938.db2.gz OPTMQHNANNKQOE-VIFPVBQESA-N 0 3 264.289 0.876 20 5 CCBDHN Cc1ncccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600760829 362057688 /nfs/dbraw/zinc/05/76/88/362057688.db2.gz HUBIGTZHZUXGHA-ZDUSSCGKSA-N 0 3 291.311 0.645 20 5 CCBDHN CCN(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118108806 349898365 /nfs/dbraw/zinc/89/83/65/349898365.db2.gz MXCXLDXBLVVFOR-UHFFFAOYSA-N 0 3 294.311 0.601 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601444474 362275258 /nfs/dbraw/zinc/27/52/58/362275258.db2.gz CWTKDIVZWXIXCG-CYBMUJFWSA-N 0 3 297.286 0.530 20 5 CCBDHN C[C@@H]1CCC[C@H](CO)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305234900 232011115 /nfs/dbraw/zinc/01/11/15/232011115.db2.gz NEIXVOZHUHCYGZ-WZRBSPASSA-N 0 3 298.343 0.388 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000119739718 349950989 /nfs/dbraw/zinc/95/09/89/349950989.db2.gz CGTWNOYHXSMUFH-JTQLQIEISA-N 0 3 293.327 0.542 20 5 CCBDHN CN(CCN(C)C1CC1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602663597 362738217 /nfs/dbraw/zinc/73/82/17/362738217.db2.gz SGWZCZGPAZDLME-UHFFFAOYSA-N 0 3 267.333 0.854 20 5 CCBDHN C[C@@H]1C[C@H](CO)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000344170101 137181346 /nfs/dbraw/zinc/18/13/46/137181346.db2.gz PVKPXDQHEMFOOK-GHMZBOCLSA-N 0 3 268.317 0.884 20 5 CCBDHN CC[C@@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000040835026 348244296 /nfs/dbraw/zinc/24/42/96/348244296.db2.gz CLYZDYUEPXCFHY-CYBMUJFWSA-N 0 3 292.339 0.981 20 5 CCBDHN CNCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040414469 348233110 /nfs/dbraw/zinc/23/31/10/348233110.db2.gz ZRGPOPXXLNJVCR-UHFFFAOYSA-N 0 3 278.312 0.463 20 5 CCBDHN C[C@@]1(CO)C[C@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000602906294 362878627 /nfs/dbraw/zinc/87/86/27/362878627.db2.gz IUBANDBPRHJSGX-KBPBESRZSA-N 0 3 280.324 0.955 20 5 CCBDHN Cc1[nH]ncc1CN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602941231 362899571 /nfs/dbraw/zinc/89/95/71/362899571.db2.gz HWBXAMPYIAZCSP-UHFFFAOYSA-N 0 3 264.289 0.992 20 5 CCBDHN CO[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000602961534 362909285 /nfs/dbraw/zinc/90/92/85/362909285.db2.gz BJPKTFAUTCRHGZ-AAEUAGOBSA-N 0 3 298.343 0.571 20 5 CCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC2CC2)c1 ZINC000054266984 348547510 /nfs/dbraw/zinc/54/75/10/348547510.db2.gz ZEDOVIASPBJFHC-UHFFFAOYSA-N 0 3 285.325 0.625 20 5 CCBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000061379461 348653131 /nfs/dbraw/zinc/65/31/31/348653131.db2.gz XEYPXVBGTCQRKS-UHFFFAOYSA-N 0 3 254.290 0.980 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068011923 348793980 /nfs/dbraw/zinc/79/39/80/348793980.db2.gz OOMWZFDUNFRVCQ-LLVKDONJSA-N 0 3 295.343 0.782 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCO ZINC000123985586 350086075 /nfs/dbraw/zinc/08/60/75/350086075.db2.gz UVWCXOKURCIRLU-UHFFFAOYSA-N 0 3 297.311 0.856 20 5 CCBDHN CC[C@](C)(NCCn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000134024446 350352006 /nfs/dbraw/zinc/35/20/06/350352006.db2.gz ASDLZVWBVKUHQZ-JTQLQIEISA-N 0 3 255.278 0.035 20 5 CCBDHN COc1ccc(NC(=O)C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000136482039 350423355 /nfs/dbraw/zinc/42/33/55/350423355.db2.gz GKVVCOUXIDIOPK-JTQLQIEISA-N 0 3 295.295 0.920 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC(OCCCO)CC2)n1 ZINC000155101956 350610323 /nfs/dbraw/zinc/61/03/23/350610323.db2.gz LPCSHZCHPYRXBJ-UHFFFAOYSA-N 0 3 298.343 0.655 20 5 CCBDHN COc1ccc(CN[C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000111014605 186343317 /nfs/dbraw/zinc/34/33/17/186343317.db2.gz JILYPXCUAWWXNH-JTQLQIEISA-N 0 3 279.296 0.972 20 5 CCBDHN C[C@@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169189456 350836046 /nfs/dbraw/zinc/83/60/46/350836046.db2.gz MLMXHIFQXQNGAT-BDAKNGLRSA-N 0 3 279.300 0.350 20 5 CCBDHN COCCOC[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176270652 351166087 /nfs/dbraw/zinc/16/60/87/351166087.db2.gz VRLYEVGCVWHOEO-GFCCVEGCSA-N 0 3 298.343 0.776 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC1(CO)CC1 ZINC000190028009 351709233 /nfs/dbraw/zinc/70/92/33/351709233.db2.gz WFEDBAICJAJIBL-UHFFFAOYSA-N 0 3 281.312 0.461 20 5 CCBDHN CO[C@@H](CN)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000227412292 352050552 /nfs/dbraw/zinc/05/05/52/352050552.db2.gz GWIPRICVEUWRGA-NSHDSACASA-N 0 3 267.285 0.493 20 5 CCBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1 ZINC000230685972 352117778 /nfs/dbraw/zinc/11/77/78/352117778.db2.gz WXCVLBKBWGWSBM-UHFFFAOYSA-N 0 3 279.300 0.396 20 5 CCBDHN COC[C@H](CO)NCCc1ccc([N+](=O)[O-])cc1 ZINC000229194292 352088224 /nfs/dbraw/zinc/08/82/24/352088224.db2.gz QOYQWXLZAYSJQH-NSHDSACASA-N 0 3 254.286 0.734 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237442398 352264872 /nfs/dbraw/zinc/26/48/72/352264872.db2.gz KVCUONWLXCFJKU-BDAKNGLRSA-N 0 3 281.316 0.309 20 5 CCBDHN Cc1nn(C)c(C(=O)N2C[C@@H](C)NC[C@@H]2C)c1[N+](=O)[O-] ZINC000237466588 352266523 /nfs/dbraw/zinc/26/65/23/352266523.db2.gz YLBWGXHZZSIEFC-SFYZADRCSA-N 0 3 281.316 0.459 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000237593283 352273620 /nfs/dbraw/zinc/27/36/20/352273620.db2.gz RNTRAMADLAIRST-VHSXEESVSA-N 0 3 281.316 0.390 20 5 CCBDHN C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1 ZINC000237615432 352275358 /nfs/dbraw/zinc/27/53/58/352275358.db2.gz GCOGLQFFLGMQPN-IUCAKERBSA-N 0 3 267.289 0.000 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000270732409 352975031 /nfs/dbraw/zinc/97/50/31/352975031.db2.gz GTLAWOKERCQTFG-CBAPKCEASA-N 0 3 279.300 0.530 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270732409 352975033 /nfs/dbraw/zinc/97/50/33/352975033.db2.gz GTLAWOKERCQTFG-CBAPKCEASA-N 0 3 279.300 0.530 20 5 CCBDHN CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000270550677 352946738 /nfs/dbraw/zinc/94/67/38/352946738.db2.gz GXDIJOCMSKNTEZ-JQWIXIFHSA-N 0 3 281.312 0.459 20 5 CCBDHN C[C@H]1CCCCN1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271125174 353024888 /nfs/dbraw/zinc/02/48/88/353024888.db2.gz OXXFKIXZAFKDII-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1 ZINC000272579092 353076520 /nfs/dbraw/zinc/07/65/20/353076520.db2.gz OALKFOUSKRTYJS-IUCAKERBSA-N 0 3 267.289 0.000 20 5 CCBDHN O=[N+]([O-])c1ccc(CN2[C@@H](CO)CC[C@@H]2CO)cc1 ZINC000286737263 353607074 /nfs/dbraw/zinc/60/70/74/353607074.db2.gz BWKJWUNEANZOIQ-CHWSQXEVSA-N 0 3 266.297 0.912 20 5 CCBDHN CN(C)C1(CN(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CCC1 ZINC000286899908 353617540 /nfs/dbraw/zinc/61/75/40/353617540.db2.gz XZODBGZMTDJJIK-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN O=[N+]([O-])c1cc(CNCCCn2cc(CO)nn2)cs1 ZINC000289883300 353692249 /nfs/dbraw/zinc/69/22/49/353692249.db2.gz PUBWZZAMYIQNCM-UHFFFAOYSA-N 0 3 297.340 0.920 20 5 CCBDHN C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N(C)C ZINC000290559933 353734774 /nfs/dbraw/zinc/73/47/74/353734774.db2.gz RQQFVXDXQXZYKJ-ZETCQYMHSA-N 0 3 267.289 0.451 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H](C)N1C ZINC000293367191 353806826 /nfs/dbraw/zinc/80/68/26/353806826.db2.gz IWRMMFOKFKYQFU-PHIMTYICSA-N 0 3 267.333 0.816 20 5 CCBDHN CSCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305153645 354133907 /nfs/dbraw/zinc/13/39/07/354133907.db2.gz VAACOFCUKXMINC-JTQLQIEISA-N 0 3 274.346 0.447 20 5 CCBDHN CC(C)(O)[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000305700069 354151441 /nfs/dbraw/zinc/15/14/41/354151441.db2.gz CVLAQAZPUGGPOO-GFCCVEGCSA-N 0 3 295.339 0.992 20 5 CCBDHN C[C@@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCCN1 ZINC000423902691 235113583 /nfs/dbraw/zinc/11/35/83/235113583.db2.gz MAXDLQRBUFGGRO-LBPRGKRZSA-N 0 3 281.316 0.440 20 5 CCBDHN C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N(C)C ZINC000338681745 355396656 /nfs/dbraw/zinc/39/66/56/355396656.db2.gz TXZQVCBPWCNGEH-SECBINFHSA-N 0 3 283.332 0.593 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2CCO)n1 ZINC000426210646 235329528 /nfs/dbraw/zinc/32/95/28/235329528.db2.gz MUBNHLJBGQBFLM-SNVBAGLBSA-N 0 3 254.290 0.638 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C)n1 ZINC000427506637 235369546 /nfs/dbraw/zinc/36/95/46/235369546.db2.gz OWUDXIHWZJLEDE-QMMMGPOBSA-N 0 3 269.305 0.491 20 5 CCBDHN COC(=O)COc1ccc(CNCCCO)cc1[N+](=O)[O-] ZINC000353734592 356283392 /nfs/dbraw/zinc/28/33/92/356283392.db2.gz FQYVDKSYOTUUQD-UHFFFAOYSA-N 0 3 298.295 0.619 20 5 CCBDHN CC1CCN(C[C@H](O)CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000609449021 363496640 /nfs/dbraw/zinc/49/66/40/363496640.db2.gz IVSZNCVRFQRLLV-LLVKDONJSA-N 0 3 297.359 0.833 20 5 CCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366559719 357223740 /nfs/dbraw/zinc/22/37/40/357223740.db2.gz ZFDSYHUJQIEETM-YUMQZZPRSA-N 0 3 282.275 0.607 20 5 CCBDHN C[C@H]1[C@@H](O)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451452098 236161730 /nfs/dbraw/zinc/16/17/30/236161730.db2.gz GNEVYIUFQHPORW-JQWIXIFHSA-N 0 3 281.312 0.602 20 5 CCBDHN N[C@@H]1C[C@@H]2CN(c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000568415437 358674554 /nfs/dbraw/zinc/67/45/54/358674554.db2.gz UDFVYWOKDWUUQQ-NXEZZACHSA-N 0 3 276.296 0.343 20 5 CCBDHN Cc1n[nH]c(C(=O)NCCN2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000570615525 358874728 /nfs/dbraw/zinc/87/47/28/358874728.db2.gz VINLPAUYFVJOEN-QMMMGPOBSA-N 0 3 281.316 0.698 20 5 CCBDHN COC(=O)CC[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000563063009 291186820 /nfs/dbraw/zinc/18/68/20/291186820.db2.gz KSWVLKFQJXPLHN-NSHDSACASA-N 0 3 295.295 0.492 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H]([NH3+])C2)c1C ZINC000592383346 359830626 /nfs/dbraw/zinc/83/06/26/359830626.db2.gz ORLGAZWBINHXCM-AOOOYVTPSA-N 0 3 299.352 0.980 20 5 CCBDHN CCN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000611185662 363674887 /nfs/dbraw/zinc/67/48/87/363674887.db2.gz ZIZRPJVLPSWBCD-LBPRGKRZSA-N 0 3 294.355 0.783 20 5 CCBDHN COc1ccc(CNCCc2nnnn2C)cc1[N+](=O)[O-] ZINC000611314531 363705982 /nfs/dbraw/zinc/70/59/82/363705982.db2.gz ARAXSWAUKKMRRU-UHFFFAOYSA-N 0 3 292.299 0.459 20 5 CCBDHN CCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCN(C)C1 ZINC000592831793 359947275 /nfs/dbraw/zinc/94/72/75/359947275.db2.gz OWRBGPMJICBBOY-JTQLQIEISA-N 0 3 296.331 0.129 20 5 CCBDHN O=[N+]([O-])c1cc(CN2CCN3C[C@H](O)C[C@H]3C2)cs1 ZINC000594027023 360238852 /nfs/dbraw/zinc/23/88/52/360238852.db2.gz JXZHLEFMAPMFHP-WDEREUQCSA-N 0 3 283.353 0.907 20 5 CCBDHN O=c1c2ccc([N+](=O)[O-])cc2ncn1C[C@H]1CNCCO1 ZINC000594699468 360361737 /nfs/dbraw/zinc/36/17/37/360361737.db2.gz UHZMEZHEALAHFE-SNVBAGLBSA-N 0 3 290.279 0.293 20 5 CCBDHN O=[N+]([O-])c1cccc(CN2CCOC3(CNC3)C2)c1 ZINC000596101210 360793841 /nfs/dbraw/zinc/79/38/41/360793841.db2.gz DUYXHZTYCNLBFD-UHFFFAOYSA-N 0 3 263.297 0.769 20 5 CCBDHN O=[N+]([O-])c1cc(CN2CCOC3(CNC3)C2)cs1 ZINC000596107170 360796291 /nfs/dbraw/zinc/79/62/91/360796291.db2.gz SOEBBLYGJFWUGN-UHFFFAOYSA-N 0 3 269.326 0.831 20 5 CCBDHN CCCN1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596516870 360913898 /nfs/dbraw/zinc/91/38/98/360913898.db2.gz IRUCGLBXXVLEGP-QMMMGPOBSA-N 0 3 266.305 0.694 20 5 CCBDHN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(C)C1 ZINC000597945029 361288937 /nfs/dbraw/zinc/28/89/37/361288937.db2.gz GRNTVEJDDBZRDQ-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN N[C@H]1C[C@H]2CN(Cc3csc([N+](=O)[O-])c3)CCN2C1=O ZINC000564101315 291267240 /nfs/dbraw/zinc/26/72/40/291267240.db2.gz IPOBJVMVJXAQEJ-UWVGGRQHSA-N 0 3 296.352 0.400 20 5 CCBDHN CCCN1CC[C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000598343483 361392726 /nfs/dbraw/zinc/39/27/26/361392726.db2.gz WERJXIIRGHLCSD-SNVBAGLBSA-N 0 3 295.343 0.851 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915784 361531615 /nfs/dbraw/zinc/53/16/15/361531615.db2.gz ORTVJTNEAVHRGS-VIFPVBQESA-N 0 3 298.274 0.844 20 5 CCBDHN Nc1nc(NC[C@H]2CCN2C2CCCC2)ncc1[N+](=O)[O-] ZINC000599165802 361596565 /nfs/dbraw/zinc/59/65/65/361596565.db2.gz SVOKXAAFUKFCBG-SNVBAGLBSA-N 0 3 292.343 0.648 20 5 CCBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@]12C[C@H]1CCN2 ZINC000423719636 283899052 /nfs/dbraw/zinc/89/90/52/283899052.db2.gz FVBQUYVYJCZYOY-UHLUBPPHSA-N 0 3 287.279 0.584 20 5 CCBDHN Cc1cnc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000566985216 291452339 /nfs/dbraw/zinc/45/23/39/291452339.db2.gz AJQQDCZADKUJHT-ZJUUUORDSA-N 0 3 291.311 0.046 20 5 CCBDHN CCCN1CCC[C@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000330672401 203100709 /nfs/dbraw/zinc/10/07/09/203100709.db2.gz NUTMPNFAMHZNMD-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN CCOCCOCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000276252841 193258217 /nfs/dbraw/zinc/25/82/17/193258217.db2.gz NPVFCDUEKWLLLM-UHFFFAOYSA-N 0 3 286.332 0.776 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000262816707 190063530 /nfs/dbraw/zinc/06/35/30/190063530.db2.gz PGEGDLCFNWTQOC-RKDXNWHRSA-N 0 3 281.316 0.309 20 5 CCBDHN CN(c1c([N+](=O)[O-])ncn1C)[C@H]1CCCN(C)C1 ZINC000266021586 190223953 /nfs/dbraw/zinc/22/39/53/190223953.db2.gz PRGSXVLSZDLHPD-VIFPVBQESA-N 0 3 253.306 0.859 20 5 CCBDHN COC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267062922 190300306 /nfs/dbraw/zinc/30/03/06/190300306.db2.gz JAFSQRRRBOUFMU-UHFFFAOYSA-N 0 3 254.290 0.902 20 5 CCBDHN CN(C)C[C@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000268178406 190383420 /nfs/dbraw/zinc/38/34/20/190383420.db2.gz MYWSGHFYPHGLOZ-MRVPVSSYSA-N 0 3 266.305 0.497 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@H]([NH3+])C1 ZINC000479795437 285256523 /nfs/dbraw/zinc/25/65/23/285256523.db2.gz IVQVNIHQYDFDCJ-KYZUINATSA-N 0 3 285.325 0.671 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCCN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000186529748 388839964 /nfs/dbraw/zinc/83/99/64/388839964.db2.gz CCNXQMJAQNTGAF-STQMWFEESA-N 0 3 296.323 0.791 20 5 CCBDHN C[C@@H](O)CN(CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000289368419 388869713 /nfs/dbraw/zinc/86/97/13/388869713.db2.gz BBFPDAMWEIIMSN-LLVKDONJSA-N 0 3 268.313 0.812 20 5 CCBDHN CS(=O)(=O)N1CC(CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000189701090 388968969 /nfs/dbraw/zinc/96/89/69/388968969.db2.gz MIRPGJAJLDURNR-UHFFFAOYSA-N 0 3 299.352 0.576 20 5 CCBDHN C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000086471440 389008274 /nfs/dbraw/zinc/00/82/74/389008274.db2.gz MQZCEDHWXIXNES-RKDXNWHRSA-N 0 3 278.312 0.880 20 5 CCBDHN Cc1nc(N2CC[C@@H](N(C)C)C2)ncc1[N+](=O)[O-] ZINC000297086027 389011238 /nfs/dbraw/zinc/01/12/38/389011238.db2.gz KEDAYRRERIXGQT-SECBINFHSA-N 0 3 251.290 0.834 20 5 CCBDHN CC(C)C[C@@H](CN(C)C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193268522 389065035 /nfs/dbraw/zinc/06/50/35/389065035.db2.gz BZQDQXGUEFDENF-NSHDSACASA-N 0 3 297.359 0.884 20 5 CCBDHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111303194 389103968 /nfs/dbraw/zinc/10/39/68/389103968.db2.gz HAXRCUUHBAYNFB-ZCFIWIBFSA-N 0 3 293.732 0.874 20 5 CCBDHN O=C1C[C@@]2(CN1)CCCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000342358507 389214490 /nfs/dbraw/zinc/21/44/90/389214490.db2.gz HCLMDJNXRQUIDY-CYBMUJFWSA-N 0 3 293.327 0.393 20 5 CCBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCCN(C)C1 ZINC000153784443 389307717 /nfs/dbraw/zinc/30/77/17/389307717.db2.gz WDRXFWRRCKKWBP-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN CC[C@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000269039760 389398756 /nfs/dbraw/zinc/39/87/56/389398756.db2.gz MCHUYSKDPDUXTH-VIFPVBQESA-N 0 3 266.301 0.860 20 5 CCBDHN CCN(CCOCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000281878642 389630575 /nfs/dbraw/zinc/63/05/75/389630575.db2.gz ADXMDRRKXLCYBG-UHFFFAOYSA-N 0 3 272.305 0.122 20 5 CCBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCNCC1 ZINC000415312120 389673444 /nfs/dbraw/zinc/67/34/44/389673444.db2.gz SMTHLENUJMDSBT-UHFFFAOYSA-N 0 3 292.295 0.355 20 5 CCBDHN Cc1ccc(NC(=O)COC2CNC2)cc1[N+](=O)[O-] ZINC000429605191 389761943 /nfs/dbraw/zinc/76/19/43/389761943.db2.gz OTADMMDDTXJTEO-UHFFFAOYSA-N 0 3 265.269 0.830 20 5 CCBDHN COC[C@H](NCCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCO1 ZINC000434797679 389947027 /nfs/dbraw/zinc/94/70/27/389947027.db2.gz ZZVUTUUUGIFMIR-QWRGUYRKSA-N 0 3 284.316 0.575 20 5 CCBDHN CN(C)CC(C)(C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000458554319 390059689 /nfs/dbraw/zinc/05/96/89/390059689.db2.gz IBKQOSMOTYZHRP-UHFFFAOYSA-N 0 3 298.347 0.431 20 5 CCBDHN CN(C)CC1(NC(=O)c2[nH]ncc2[N+](=O)[O-])CCC1 ZINC000281792339 195383141 /nfs/dbraw/zinc/38/31/41/195383141.db2.gz SHTYCDRNLSUIHM-UHFFFAOYSA-N 0 3 267.289 0.532 20 5 CCBDHN COC(=O)N[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496137481 390307681 /nfs/dbraw/zinc/30/76/81/390307681.db2.gz NFRHWKSPOHSPHC-BDAKNGLRSA-N 0 3 276.289 0.966 20 5 CCBDHN [NH3+][C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000520581639 390582529 /nfs/dbraw/zinc/58/25/29/390582529.db2.gz AMGCJDQBSZYVMX-MRVPVSSYSA-N 0 3 286.313 0.005 20 5 CCBDHN Cc1nc(NC[C@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000358341313 533597952 /nfs/dbraw/zinc/59/79/52/533597952.db2.gz QTFCFVCYGQVKEL-GFCCVEGCSA-N 0 3 266.301 0.199 20 5 CCBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000330702379 533666104 /nfs/dbraw/zinc/66/61/04/533666104.db2.gz HYGVBLZKQXTZKF-QMMMGPOBSA-N 0 3 267.289 0.308 20 5 CCBDHN C[C@@H]1[C@H](C)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000357005678 144049968 /nfs/dbraw/zinc/04/99/68/144049968.db2.gz RLXCSGSKOBEDRR-MDZLAQPJSA-N 0 3 297.359 0.177 20 5 CCBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000357576000 144101482 /nfs/dbraw/zinc/10/14/82/144101482.db2.gz YBCYYDGPKGZEHX-NXEZZACHSA-N 0 3 254.290 0.494 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000358085256 144150549 /nfs/dbraw/zinc/15/05/49/144150549.db2.gz XWMDZCYCEFUICF-CYBMUJFWSA-N 0 3 279.296 0.391 20 5 CCBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285229511 196226604 /nfs/dbraw/zinc/22/66/04/196226604.db2.gz GYDPCADKAVDCDR-QMMMGPOBSA-N 0 3 267.289 0.484 20 5 CCBDHN CCN(CCC(=O)OC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522501 276122332 /nfs/dbraw/zinc/12/23/32/276122332.db2.gz NPDBXKPAAIEMPG-UHFFFAOYSA-N 0 3 297.311 0.642 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)[NH3+] ZINC000129647734 278932472 /nfs/dbraw/zinc/93/24/72/278932472.db2.gz LKGSBBPNAVJJDM-UHFFFAOYSA-N 0 3 287.341 0.919 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](O)[C@H](N(C)C)C2)n1 ZINC000359953335 280399278 /nfs/dbraw/zinc/39/92/78/280399278.db2.gz WAGZXDVTOHVIRN-GHMZBOCLSA-N 0 3 280.328 0.718 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@@H](C)[NH3+] ZINC000381489946 336066546 /nfs/dbraw/zinc/06/65/46/336066546.db2.gz PWOCTJYFMFUHQT-BDAKNGLRSA-N 0 3 287.341 0.917 20 5 CCBDHN COc1ccc(C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000157361949 523710570 /nfs/dbraw/zinc/71/05/70/523710570.db2.gz WFGVHRSFFNTYHU-SNVBAGLBSA-N 0 3 295.295 0.322 20 5 CCBDHN C[C@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000235475148 524294516 /nfs/dbraw/zinc/29/45/16/524294516.db2.gz PYQDATGKBAMZLN-SSDOTTSWSA-N 0 3 267.289 0.252 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000157353807 526551925 /nfs/dbraw/zinc/55/19/25/526551925.db2.gz STLGUVOROCKHHP-VIFPVBQESA-N 0 3 299.714 0.966 20 5 CCBDHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000517455345 536364986 /nfs/dbraw/zinc/36/49/86/536364986.db2.gz CQSLPFMRXGXFOO-VIFPVBQESA-N 0 3 266.301 0.995 20 5 CCBDHN C[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261556689 536403876 /nfs/dbraw/zinc/40/38/76/536403876.db2.gz CEMVDYXHKVBNKR-MRVPVSSYSA-N 0 3 273.314 0.481 20 5 CCBDHN CN(C)C[C@H](O)CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000782139401 581289942 /nfs/dbraw/zinc/28/99/42/581289942.db2.gz AQADMSJFHYLKPE-SNVBAGLBSA-N 0 3 291.311 0.872 20 5 CCBDHN C[C@H](O)CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000785538943 581412021 /nfs/dbraw/zinc/41/20/21/581412021.db2.gz ZLDJLYJPUTZZFM-MJVIPROJSA-N 0 3 298.339 0.692 20 5 CCBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000796431287 581440283 /nfs/dbraw/zinc/44/02/83/581440283.db2.gz VJPQGEOESJBOSW-SECBINFHSA-N 0 3 269.305 0.634 20 5 CCBDHN C[C@@]1(C(N)=O)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796576256 581444072 /nfs/dbraw/zinc/44/40/72/581444072.db2.gz RLUUAISNMMOREP-GXTWGEPZSA-N 0 3 293.323 0.826 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCC[C@@H]1C ZINC000742242601 581775495 /nfs/dbraw/zinc/77/54/95/581775495.db2.gz ZHCJLWZZOIFALC-JTQLQIEISA-N 0 3 295.343 0.700 20 5 CCBDHN CN1CC[C@](O)(CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000762816621 581964112 /nfs/dbraw/zinc/96/41/12/581964112.db2.gz RXZIDBMTGVWAIN-ZDUSSCGKSA-N 0 3 291.311 0.721 20 5 CCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC[NH2+]C1CC1 ZINC000738358110 582039239 /nfs/dbraw/zinc/03/92/39/582039239.db2.gz KZKNSVPBIZJTSC-UHFFFAOYSA-N 0 3 289.299 0.939 20 5 CCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC[NH2+]C1CC1 ZINC000738358110 582039240 /nfs/dbraw/zinc/03/92/40/582039240.db2.gz KZKNSVPBIZJTSC-UHFFFAOYSA-N 0 3 289.299 0.939 20 5 CCBDHN COc1cc([N+](=O)[O-])cn(C[C@@H]2CCCN2C)c1=O ZINC000918455973 617217482 /nfs/dbraw/zinc/21/74/82/617217482.db2.gz NCVTXQHXTGQYCG-VIFPVBQESA-N 0 3 267.285 0.859 20 5 CCBDHN CC(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000846952552 613666538 /nfs/dbraw/zinc/66/65/38/613666538.db2.gz ZZVFOMSAOWKWSN-ZDUSSCGKSA-N 0 3 296.327 0.453 20 5 CCBDHN CCN1CCC[C@H](NC(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000932072404 615138811 /nfs/dbraw/zinc/13/88/11/615138811.db2.gz OKKRCVYSJYOQQO-NSHDSACASA-N 0 3 295.343 0.700 20 5 CCBDHN CN(C)CCONC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000854945851 615908645 /nfs/dbraw/zinc/90/86/45/615908645.db2.gz SAOOFRCPSMVTCQ-UHFFFAOYSA-N 0 3 268.273 0.400 20 5 CCBDHN CN(CCCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799365241 616076078 /nfs/dbraw/zinc/07/60/78/616076078.db2.gz VMXNSPVHIKFMEA-LBPRGKRZSA-N 0 3 254.286 0.942 20 5 CCBDHN CN(CCO)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000884825309 616102724 /nfs/dbraw/zinc/10/27/24/616102724.db2.gz PMUBAQGCRJKVJT-UHFFFAOYSA-N 0 3 274.708 0.401 20 5 CCBDHN CN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000899731654 616106524 /nfs/dbraw/zinc/10/65/24/616106524.db2.gz DXYFMDJJJITAEN-UHFFFAOYSA-N 0 3 285.275 0.388 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@H]2C1 ZINC000816954034 616507635 /nfs/dbraw/zinc/50/76/35/616507635.db2.gz RUJDNWYLGUIEDZ-KCJUWKMLSA-N 0 3 291.311 0.348 20 5 CCBDHN CN1C[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000312757965 625570999 /nfs/dbraw/zinc/57/09/99/625570999.db2.gz WWDXYYMNRNJYHE-CMPLNLGQSA-N 0 3 279.296 0.449 20 5 CCBDHN CC(COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)[N+](=O)[O-] ZINC000813102232 624647016 /nfs/dbraw/zinc/64/70/16/624647016.db2.gz CFGDFXCNFYJCSP-GQDPBHBBSA-N 0 3 271.269 0.437 20 5 CCBDHN O=[N+]([O-])CCNCCN1CCN(c2ccccc2)CC1 ZINC000905036183 634779752 /nfs/dbraw/zinc/77/97/52/634779752.db2.gz QHYSDTLAMGOUAA-UHFFFAOYSA-N 0 3 278.356 0.675 20 5 CCBDHN Cc1cc(C(=O)NCCN(C)CCO)ccc1[N+](=O)[O-] ZINC000899726970 633875653 /nfs/dbraw/zinc/87/56/53/633875653.db2.gz YLOFBAIXTFGMHP-UHFFFAOYSA-N 0 3 281.312 0.557 20 5 CCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CCC2)C1 ZINC000912920587 636702658 /nfs/dbraw/zinc/70/26/58/636702658.db2.gz ZNMWMBYEFCXQBD-LLVKDONJSA-N 0 3 293.327 0.488 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000112090848 638092388 /nfs/dbraw/zinc/09/23/88/638092388.db2.gz KSSHECVLVZMGCD-NXEZZACHSA-N 0 3 281.316 0.603 20 5 CCBDHN CC(COC(=O)[C@H](C)OC[C@H]1CCCO1)[N+](=O)[O-] ZINC000813103613 641022654 /nfs/dbraw/zinc/02/26/54/641022654.db2.gz RKYDVGPJJALMMC-KXUCPTDWSA-N 0 3 261.274 0.779 20 5 CCBDHN CC(COC(=O)c1ccc(NC(N)=O)cc1)[N+](=O)[O-] ZINC000813106873 641023774 /nfs/dbraw/zinc/02/37/74/641023774.db2.gz HCMGOOYQLPTNED-SSDOTTSWSA-N 0 3 267.241 0.999 20 5 CCBDHN CC(COC(=O)[C@H](C)NC(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813110794 641024239 /nfs/dbraw/zinc/02/42/39/641024239.db2.gz JPLBIJQLUFPERE-YUMQZZPRSA-N 0 3 260.290 0.746 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)[N+](=O)[O-] ZINC000813115260 641024916 /nfs/dbraw/zinc/02/49/16/641024916.db2.gz NWJMHLZXGWAFMI-VHSXEESVSA-N 0 3 296.279 0.837 20 5 CCBDHN C[C@H](C[S@](C)=O)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819224560 641391096 /nfs/dbraw/zinc/39/10/96/641391096.db2.gz IMQWQMNJEQFLDZ-AZNYZMOJSA-N 0 3 286.353 0.985 20 5 CCBDHN CC(COC(=O)/C=C/c1ccc(C(N)=O)o1)[N+](=O)[O-] ZINC000853127058 644078080 /nfs/dbraw/zinc/07/80/80/644078080.db2.gz OFEYBVWOHSWXSX-OHCKJTPYSA-N 0 3 268.225 0.600 20 5 CCBDHN Cc1cc(F)cc(C(=O)N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000854466784 644207756 /nfs/dbraw/zinc/20/77/56/644207756.db2.gz KMAUYKFITULLKF-JTQLQIEISA-N 0 3 299.302 0.695 20 5 CCBDHN O=[N+]([O-])c1c(NCCN2CC[C@@H](O)C2)nc2ccccn21 ZINC000858811552 644651295 /nfs/dbraw/zinc/65/12/95/644651295.db2.gz CYGSYRDXHRALQR-SNVBAGLBSA-N 0 3 291.311 0.721 20 5 CCBDHN Cc1cnc(N2C[C@@H]3CCCN3C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000872758349 646320682 /nfs/dbraw/zinc/32/06/82/646320682.db2.gz YLIQBFMPYPYMSM-NWDGAFQWSA-N 0 3 292.339 0.944 20 5 CCBDHN C[C@@H](O)[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000930440494 648861854 /nfs/dbraw/zinc/86/18/54/648861854.db2.gz NPIYYWAWYRYQJC-ZWNOBZJWSA-N 0 3 268.313 0.811 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCF ZINC001120569784 798869109 /nfs/dbraw/zinc/86/91/09/798869109.db2.gz IPXGUZCIIXCTLY-SECBINFHSA-N 0 3 258.249 0.894 20 5 CCBDHN CCNC(=O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001120657652 798906160 /nfs/dbraw/zinc/90/61/60/798906160.db2.gz BJZIACQEUFKSQC-NSHDSACASA-N 0 3 297.311 0.060 20 5 CCBDHN Cc1ccc(C(=O)N[C@@H]2COC3(CNC3)C2)cc1[N+](=O)[O-] ZINC001122064389 799133466 /nfs/dbraw/zinc/13/34/66/799133466.db2.gz XFHNLFZBTZYTNW-NSHDSACASA-N 0 3 291.307 0.764 20 5 CCBDHN NCc1ccnn1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001155123674 800913917 /nfs/dbraw/zinc/91/39/17/800913917.db2.gz DFYNNYCHOMRMQB-UHFFFAOYSA-N 0 3 254.637 0.683 20 5 CCBDHN COc1cc(NC(=N)N2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001157915136 801518761 /nfs/dbraw/zinc/51/87/61/801518761.db2.gz QZSSHNVRMCRUSU-UHFFFAOYSA-N 0 3 294.315 0.592 20 5 CCBDHN COc1nc(N2CCNC3(CC3)C2)nc(OC)c1[N+](=O)[O-] ZINC001158936913 801725100 /nfs/dbraw/zinc/72/51/00/801725100.db2.gz VXAZBYNJJDAHCU-UHFFFAOYSA-N 0 3 295.299 0.344 20 5 CCBDHN NCc1ccnn1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001162586004 802371759 /nfs/dbraw/zinc/37/17/59/802371759.db2.gz OWPOJHLAPHULAF-UHFFFAOYSA-N 0 3 254.637 0.683 20 5 CCBDHN CN(C)C1(C)CN(c2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001165117588 802783306 /nfs/dbraw/zinc/78/33/06/802783306.db2.gz YJJHDGKBLXVODM-UHFFFAOYSA-N 0 3 252.274 0.369 20 5 CCBDHN CC(=O)c1cc([O-])cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228047188 805411070 /nfs/dbraw/zinc/41/10/70/805411070.db2.gz DXFHQMVDAKCYDV-CYBMUJFWSA-O 0 3 296.343 0.957 20 5 CCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NS(=O)(=O)CCN ZINC001254534883 808258649 /nfs/dbraw/zinc/25/86/49/808258649.db2.gz CYQHVGZVJZJCBM-SECBINFHSA-N 0 3 287.341 0.404 20 5 CCBDHN CN(CCO)CCN(C)c1ccc([N+](=O)[O-])nc1 ZINC000691332005 816874920 /nfs/dbraw/zinc/87/49/20/816874920.db2.gz LOMBIDMVOKGXGU-UHFFFAOYSA-N 0 3 254.290 0.350 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCO[C@]3(CCOC3)C2)C1 ZINC001169013074 836100501 /nfs/dbraw/zinc/10/05/01/836100501.db2.gz TXDLUPRMNKSMGL-JHJVBQTASA-N 0 3 270.329 0.923 20 5 CCBDHN COC(=O)CN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169032963 836108635 /nfs/dbraw/zinc/10/86/35/836108635.db2.gz AGGFTLMYRKRZEB-VXGBXAGGSA-N 0 3 285.344 0.222 20 5 CCBDHN CCOC(=O)C1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037275 836112739 /nfs/dbraw/zinc/11/27/39/836112739.db2.gz RTKGJFZCTXNRJS-MWLCHTKSSA-N 0 3 256.302 0.927 20 5 CCBDHN COc1ccnc(N[C@@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170561966 838105998 /nfs/dbraw/zinc/10/59/98/838105998.db2.gz HRPASIILNXGMOS-WPRPVWTQSA-N 0 3 282.300 0.787 20 5 CCBDHN COc1ncc([N+](=O)[O-])cc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170565717 838120048 /nfs/dbraw/zinc/12/00/48/838120048.db2.gz DCWOOWNVZPEYOK-KWQFWETISA-N 0 3 282.300 0.787 20 5 CCBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccns1 ZINC000716019049 841429938 /nfs/dbraw/zinc/42/99/38/841429938.db2.gz DICNFBOOSDVSJL-PSASIEDQSA-N 0 3 297.340 0.960 20 5 CCBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCCCF)C1 ZINC001323921819 912583160 /nfs/dbraw/zinc/58/31/60/912583160.db2.gz UHBXJRIKVTYQMC-VXGBXAGGSA-N 0 3 287.335 0.934 20 5 CCBDHN Cc1cnc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001317584723 909380818 /nfs/dbraw/zinc/38/08/18/909380818.db2.gz GYWTYYMLDIBXNU-NXEZZACHSA-N 0 3 298.368 0.665 20 5 CCBDHN CN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCC1(C)C ZINC001330664748 916779863 /nfs/dbraw/zinc/77/98/63/916779863.db2.gz YQCVHAGXIVMYEA-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN CC(=O)N[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC001343652369 923404676 /nfs/dbraw/zinc/40/46/76/923404676.db2.gz TZYCDBRKCFLNSY-GZMMTYOYSA-N 0 3 260.290 0.746 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001357847616 926602904 /nfs/dbraw/zinc/60/29/04/926602904.db2.gz UFEJAGKWAFICFO-JTQLQIEISA-N 0 3 291.307 0.764 20 5 CCBDHN CC[C@]1(O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000425912162 529442004 /nfs/dbraw/zinc/44/20/04/529442004.db2.gz CSDCUNHDEFALKZ-ZDUSSCGKSA-N 0 3 281.312 0.603 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1COCCN1 ZINC000600677834 362031614 /nfs/dbraw/zinc/03/16/14/362031614.db2.gz JBJDZHWLWJPWJL-LBPRGKRZSA-N 0 3 265.313 0.981 20 5 CCBDHN Cc1ncccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600760828 362057782 /nfs/dbraw/zinc/05/77/82/362057782.db2.gz HUBIGTZHZUXGHA-CYBMUJFWSA-N 0 3 291.311 0.645 20 5 CCBDHN CN1CC[C@@](O)(CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000450441596 529801003 /nfs/dbraw/zinc/80/10/03/529801003.db2.gz VFAAQIWWHCIVEV-LLVKDONJSA-N 0 3 252.274 0.468 20 5 CCBDHN CN1C[C@@H]2CCCN(C(=O)c3c([N+](=O)[O-])cnn3C)[C@@H]2C1 ZINC000425058337 529822747 /nfs/dbraw/zinc/82/27/47/529822747.db2.gz OTYHXXGSOIQZNR-GXSJLCMTSA-N 0 3 293.327 0.495 20 5 CCBDHN CNC(=O)[C@H](C)CN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602775878 362794938 /nfs/dbraw/zinc/79/49/38/362794938.db2.gz CMXSXRAJQUEOIC-SECBINFHSA-N 0 3 283.332 0.414 20 5 CCBDHN COC[C@](C)(CCO)NCCn1cc([N+](=O)[O-])cn1 ZINC000085903800 179197268 /nfs/dbraw/zinc/19/72/68/179197268.db2.gz BLPZPWATELIMGI-NSHDSACASA-N 0 3 272.305 0.168 20 5 CCBDHN CN(C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102486761 185778776 /nfs/dbraw/zinc/77/87/76/185778776.db2.gz BBDCXNYATULHNC-UHFFFAOYSA-N 0 3 269.305 0.204 20 5 CCBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)CN1 ZINC000086467741 179297619 /nfs/dbraw/zinc/29/76/19/179297619.db2.gz QYDIBSDCGHVMQE-YUMQZZPRSA-N 0 3 252.274 0.745 20 5 CCBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)CN1 ZINC000086467739 179298156 /nfs/dbraw/zinc/29/81/56/179298156.db2.gz QYDIBSDCGHVMQE-SFYZADRCSA-N 0 3 252.274 0.745 20 5 CCBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC(CO)CO ZINC000344795394 137213809 /nfs/dbraw/zinc/21/38/09/137213809.db2.gz RWIPGMVVNAHDLL-YHYXMXQVSA-N 0 3 266.297 0.941 20 5 CCBDHN C[C@]1(CO)C[C@H](O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000602904190 362877388 /nfs/dbraw/zinc/87/73/88/362877388.db2.gz BQNKYENEVAHUPJ-GXTWGEPZSA-N 0 3 296.323 0.791 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2[C@H](CO)CC[C@H]2CO)cc1 ZINC000347309618 137330545 /nfs/dbraw/zinc/33/05/45/137330545.db2.gz LGOFXHUQPOYJNK-KBPBESRZSA-N 0 3 280.324 0.955 20 5 CCBDHN O=C(CCOC1CNC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000349060753 137385740 /nfs/dbraw/zinc/38/57/40/137385740.db2.gz VQQWCUPQPXALME-UHFFFAOYSA-N 0 3 293.323 0.632 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)N1CCCC1 ZINC000068424559 348809808 /nfs/dbraw/zinc/80/98/08/348809808.db2.gz XPPQYDDQCIAQPH-JTQLQIEISA-N 0 3 295.343 0.700 20 5 CCBDHN COCCN1CCC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000068911021 348826689 /nfs/dbraw/zinc/82/66/89/348826689.db2.gz LERQFPRJPCFZMJ-JTQLQIEISA-N 0 3 283.332 0.851 20 5 CCBDHN CO[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075712924 349047348 /nfs/dbraw/zinc/04/73/48/349047348.db2.gz ZSTSZTWPNQAKSC-NWDGAFQWSA-N 0 3 284.316 0.263 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)N1C ZINC000339618991 215273392 /nfs/dbraw/zinc/27/33/92/215273392.db2.gz MBBMVYIKIDNAMW-GHMZBOCLSA-N 0 3 267.333 0.816 20 5 CCBDHN O=C(Cn1nccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000147914347 350471094 /nfs/dbraw/zinc/47/10/94/350471094.db2.gz SEHUNDHUOXKEDW-UHFFFAOYSA-N 0 3 293.327 0.534 20 5 CCBDHN CC(C)N1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000161273236 350717696 /nfs/dbraw/zinc/71/76/96/350717696.db2.gz QSVCZDAEIVCMHQ-UWVGGRQHSA-N 0 3 296.331 0.031 20 5 CCBDHN [NH3+]CC(F)(F)CNC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000190249850 351716685 /nfs/dbraw/zinc/71/66/85/351716685.db2.gz JHZYAOHQMXWKII-UHFFFAOYSA-N 0 3 299.237 0.795 20 5 CCBDHN C[C@@H]1CC(O)C[C@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191276594 351752652 /nfs/dbraw/zinc/75/26/52/351752652.db2.gz IGAMJRZDPKYUTK-QYJAPNMZSA-N 0 3 295.339 0.990 20 5 CCBDHN COCCNCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000212774620 351930685 /nfs/dbraw/zinc/93/06/85/351930685.db2.gz LDTPSWLXYZBWKG-UHFFFAOYSA-N 0 3 285.275 0.700 20 5 CCBDHN CN(C)CCOCCNc1c([N+](=O)[O-])ncn1C ZINC000231207719 352126674 /nfs/dbraw/zinc/12/66/74/352126674.db2.gz KFELNBSWFZOLSI-UHFFFAOYSA-N 0 3 257.294 0.318 20 5 CCBDHN COCCNCCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000237319626 352260739 /nfs/dbraw/zinc/26/07/39/352260739.db2.gz QBMICZBFRMNSDN-UHFFFAOYSA-N 0 3 297.311 0.569 20 5 CCBDHN CN(C)C1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCC1 ZINC000555297096 290969381 /nfs/dbraw/zinc/96/93/81/290969381.db2.gz ZHINAGQGDIPPGQ-UHFFFAOYSA-N 0 3 267.289 0.532 20 5 CCBDHN CNC(=O)[C@@H](C)CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269629393 352856099 /nfs/dbraw/zinc/85/60/99/352856099.db2.gz DUPIWZNGNQSYSG-GXFFZTMASA-N 0 3 295.339 0.942 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCN[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000277546605 353249561 /nfs/dbraw/zinc/24/95/61/353249561.db2.gz XXBRLMIGRAFQTQ-HTRCEHHLSA-N 0 3 267.289 0.449 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCN[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000277546605 353249563 /nfs/dbraw/zinc/24/95/63/353249563.db2.gz XXBRLMIGRAFQTQ-HTRCEHHLSA-N 0 3 267.289 0.449 20 5 CCBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CCC(N)=O ZINC000286497659 353591288 /nfs/dbraw/zinc/59/12/88/353591288.db2.gz PKHLRGPTDYQWAK-UHFFFAOYSA-N 0 3 267.285 0.781 20 5 CCBDHN CCCc1n[nH]c(C(=O)N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000286850169 353614911 /nfs/dbraw/zinc/61/49/11/353614911.db2.gz AZRNJRVFJUEDOD-QMMMGPOBSA-N 0 3 283.332 0.950 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)N1C ZINC000293270533 353800552 /nfs/dbraw/zinc/80/05/52/353800552.db2.gz BZTHDLXZDHOMNZ-TXEJJXNPSA-N 0 3 294.355 0.781 20 5 CCBDHN C[C@H](O)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000305879448 354167830 /nfs/dbraw/zinc/16/78/30/354167830.db2.gz TWXQDSKJZAMSOJ-QWRGUYRKSA-N 0 3 281.312 0.459 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H](CO)C1CCCC1 ZINC000352708333 356060422 /nfs/dbraw/zinc/06/04/22/356060422.db2.gz WDTDYBVDJCFQKS-JTQLQIEISA-N 0 3 268.317 0.969 20 5 CCBDHN CN(C)CCOCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000352877874 356101521 /nfs/dbraw/zinc/10/15/21/356101521.db2.gz RGLKVYNDBANLLE-UHFFFAOYSA-N 0 3 297.315 0.111 20 5 CCBDHN CN(CCN(C)C1CC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000354074290 356342970 /nfs/dbraw/zinc/34/29/70/356342970.db2.gz HKIUJKCSVLLWLJ-UHFFFAOYSA-N 0 3 293.327 0.738 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](CCO)C2)c1 ZINC000610453327 363560990 /nfs/dbraw/zinc/56/09/90/363560990.db2.gz IFTORRZVCGCBEE-LLVKDONJSA-N 0 3 268.317 0.886 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN(CCCO)C2CC2)n1 ZINC000610485216 363565543 /nfs/dbraw/zinc/56/55/43/363565543.db2.gz IZRNQLWBPZFEEI-UHFFFAOYSA-N 0 3 254.290 0.638 20 5 CCBDHN C[C@@H]1C[C@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1C ZINC000356347270 356749104 /nfs/dbraw/zinc/74/91/04/356749104.db2.gz TTZZTIFFHYAGJM-NXEZZACHSA-N 0 3 296.331 0.127 20 5 CCBDHN C[C@H](NCC1(CO)COC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294889068 199233466 /nfs/dbraw/zinc/23/34/66/199233466.db2.gz VFJZTVHCBCCGDC-VIFPVBQESA-N 0 3 281.312 0.837 20 5 CCBDHN CN[C@@H](C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000569988715 358812937 /nfs/dbraw/zinc/81/29/37/358812937.db2.gz VEONCNDGKWPAJX-VHSXEESVSA-N 0 3 293.327 0.611 20 5 CCBDHN C[C@](O)(CO)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000563139625 291198051 /nfs/dbraw/zinc/19/80/51/291198051.db2.gz AJMCCPPJRHDLJS-CYBMUJFWSA-N 0 3 297.311 0.256 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](C(F)F)C2)c1 ZINC000611180053 363675445 /nfs/dbraw/zinc/67/54/45/363675445.db2.gz QKSAZGSRQIFAIT-WCBMZHEXSA-N 0 3 290.270 0.739 20 5 CCBDHN COC(=O)[C@H]1CNCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000592435726 359840370 /nfs/dbraw/zinc/84/03/70/359840370.db2.gz WICZNOAPTQHTOY-CYBMUJFWSA-N 0 3 293.323 0.932 20 5 CCBDHN COCC1(N(C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000611178485 363673851 /nfs/dbraw/zinc/67/38/51/363673851.db2.gz DKNIVOVSTAUKPB-UHFFFAOYSA-N 0 3 254.290 0.902 20 5 CCBDHN O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@@H]1CNCCO1 ZINC000594699530 360361949 /nfs/dbraw/zinc/36/19/49/360361949.db2.gz YXMLBWQCYAJQHU-QMMMGPOBSA-N 0 3 273.676 0.398 20 5 CCBDHN COC(=O)[C@]1(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000177457413 189052624 /nfs/dbraw/zinc/05/26/24/189052624.db2.gz XURNPENPPHSWNO-GFCCVEGCSA-N 0 3 282.300 0.676 20 5 CCBDHN C[C@@H](O)[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000595764912 360646233 /nfs/dbraw/zinc/64/62/33/360646233.db2.gz DDKLFMUFZQNSPQ-NXEZZACHSA-N 0 3 254.290 0.637 20 5 CCBDHN C[C@H](O)[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595767647 360647307 /nfs/dbraw/zinc/64/73/07/360647307.db2.gz ZSXQZRCGURUAGZ-CMPLNLGQSA-N 0 3 281.312 0.602 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H](C)[C@H]1O ZINC000595743592 360635714 /nfs/dbraw/zinc/63/57/14/360635714.db2.gz PKEUPXNBMJPSCF-IAZYJMLFSA-N 0 3 268.317 0.740 20 5 CCBDHN C[C@@]1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]C1 ZINC000596047879 360781049 /nfs/dbraw/zinc/78/10/49/360781049.db2.gz BZQWGXHJHNCQAK-SNVBAGLBSA-N 0 3 286.313 0.020 20 5 CCBDHN CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C[C@@H]21 ZINC000596265774 360859047 /nfs/dbraw/zinc/85/90/47/360859047.db2.gz PEYNHLSXGUJXRO-RNCFNFMXSA-N 0 3 290.323 0.834 20 5 CCBDHN CCCN1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596516869 360913883 /nfs/dbraw/zinc/91/38/83/360913883.db2.gz IRUCGLBXXVLEGP-MRVPVSSYSA-N 0 3 266.305 0.694 20 5 CCBDHN COc1c(C(=O)N[C@@H](CO)CN(C)C)cccc1[N+](=O)[O-] ZINC000597652972 361174876 /nfs/dbraw/zinc/17/48/76/361174876.db2.gz GVBOMWRFHMHJOV-SECBINFHSA-N 0 3 297.311 0.256 20 5 CCBDHN CC(C)(C)N1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000597922934 361282839 /nfs/dbraw/zinc/28/28/39/361282839.db2.gz HDCPCHQGORBDTG-SNVBAGLBSA-N 0 3 295.343 0.780 20 5 CCBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000597924878 361284847 /nfs/dbraw/zinc/28/48/47/361284847.db2.gz UGBVETXCBOUYPE-MRVPVSSYSA-N 0 3 281.316 0.921 20 5 CCBDHN CC(C)[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1 ZINC000598572902 361446908 /nfs/dbraw/zinc/44/69/08/361446908.db2.gz MNXVWYKLUKAXOG-JTQLQIEISA-N 0 3 281.316 0.248 20 5 CCBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1CO ZINC000598652154 361472365 /nfs/dbraw/zinc/47/23/65/361472365.db2.gz YJPUYZFBVXEREN-QWRGUYRKSA-N 0 3 268.317 0.742 20 5 CCBDHN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)CCN1CCO ZINC000614920791 364781697 /nfs/dbraw/zinc/78/16/97/364781697.db2.gz QVVHPURVAPSKBP-UHFFFAOYSA-N 0 3 297.359 0.180 20 5 CCBDHN CN(C)C1(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CCC1 ZINC000275962493 193174974 /nfs/dbraw/zinc/17/49/74/193174974.db2.gz KSNKNPFXDWMEHS-UHFFFAOYSA-N 0 3 281.316 0.542 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000330888998 203355582 /nfs/dbraw/zinc/35/55/82/203355582.db2.gz AXQRPTRPMREKLS-ONGXEEELSA-N 0 3 295.343 0.699 20 5 CCBDHN COCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000264445591 190110080 /nfs/dbraw/zinc/11/00/80/190110080.db2.gz CIMPLRRZQRWQAZ-VIFPVBQESA-N 0 3 282.300 0.373 20 5 CCBDHN COCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000264445591 190110081 /nfs/dbraw/zinc/11/00/81/190110081.db2.gz CIMPLRRZQRWQAZ-VIFPVBQESA-N 0 3 282.300 0.373 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CNC1 ZINC000569200949 291658145 /nfs/dbraw/zinc/65/81/45/291658145.db2.gz XLFKDBVMAJUYJE-UHFFFAOYSA-N 0 3 292.295 0.238 20 5 CCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCCCN1 ZINC000569811606 291710518 /nfs/dbraw/zinc/71/05/18/291710518.db2.gz KJAVYQVRRNIIMK-SNVBAGLBSA-N 0 3 267.289 0.050 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCC[C@@H]2F)c1 ZINC000569962140 291723836 /nfs/dbraw/zinc/72/38/36/291723836.db2.gz PBAJGBBBJLUOPO-OUAUKWLOSA-N 0 3 272.280 0.632 20 5 CCBDHN Cc1n[nH]c(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000267100323 190303502 /nfs/dbraw/zinc/30/35/02/190303502.db2.gz KPRHZPISRNAHDH-UHFFFAOYSA-N 0 3 255.278 0.260 20 5 CCBDHN Cc1[nH]nc(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000267100323 190303503 /nfs/dbraw/zinc/30/35/03/190303503.db2.gz KPRHZPISRNAHDH-UHFFFAOYSA-N 0 3 255.278 0.260 20 5 CCBDHN CN1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000267198765 190311189 /nfs/dbraw/zinc/31/11/89/190311189.db2.gz XTIWGGWELJXLNC-UHFFFAOYSA-N 0 3 282.300 0.109 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1CN(C)C ZINC000267507827 190334695 /nfs/dbraw/zinc/33/46/95/190334695.db2.gz HYLRDCONCWNUIO-LLVKDONJSA-N 0 3 295.343 0.652 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000288178247 197020822 /nfs/dbraw/zinc/02/08/22/197020822.db2.gz OEAUMYIWRJMUTM-VIFPVBQESA-N 0 3 294.311 0.600 20 5 CCBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C ZINC000285831368 388803120 /nfs/dbraw/zinc/80/31/20/388803120.db2.gz VYPBPLUEUHJJHZ-IUCAKERBSA-N 0 3 281.316 0.873 20 5 CCBDHN COCC1=CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000185808033 388814024 /nfs/dbraw/zinc/81/40/24/388814024.db2.gz CLLCVVRJIICNEW-CYBMUJFWSA-N 0 3 296.327 0.431 20 5 CCBDHN CN(C)C[C@@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000103976359 389079120 /nfs/dbraw/zinc/07/91/20/389079120.db2.gz PTSCVHKBJFBUSI-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CNCCO1 ZINC000313300081 389112565 /nfs/dbraw/zinc/11/25/65/389112565.db2.gz NNPWVJAUABKFFJ-RJNRQISESA-N 0 3 291.307 0.713 20 5 CCBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CCN1C ZINC000361065171 389206768 /nfs/dbraw/zinc/20/67/68/389206768.db2.gz ILWXLPMKVLCKRH-RKDXNWHRSA-N 0 3 293.327 0.983 20 5 CCBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000131305355 389212196 /nfs/dbraw/zinc/21/21/96/389212196.db2.gz YETYARVBSRCAMF-SECBINFHSA-N 0 3 279.300 0.628 20 5 CCBDHN CN1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)[C@@H]2C1 ZINC000272188352 389465792 /nfs/dbraw/zinc/46/57/92/389465792.db2.gz LRXYVNMAETXXOU-PSASIEDQSA-N 0 3 278.316 0.497 20 5 CCBDHN C[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374179766 389554695 /nfs/dbraw/zinc/55/46/95/389554695.db2.gz WFZIXGHQQCOXDR-SECBINFHSA-N 0 3 254.290 0.809 20 5 CCBDHN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000447870060 389967245 /nfs/dbraw/zinc/96/72/45/389967245.db2.gz BIVPPHNBZNTYNZ-VIFPVBQESA-N 0 3 254.290 0.494 20 5 CCBDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000434415824 389932978 /nfs/dbraw/zinc/93/29/78/389932978.db2.gz KZQKXVWEUUXELP-NSHDSACASA-N 0 3 296.327 0.500 20 5 CCBDHN COC[C@@H](NCCn1ccc([N+](=O)[O-])n1)[C@H]1CCCO1 ZINC000434797677 389947006 /nfs/dbraw/zinc/94/70/06/389947006.db2.gz ZZVUTUUUGIFMIR-GHMZBOCLSA-N 0 3 284.316 0.575 20 5 CCBDHN CN1CCC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000535024637 390135595 /nfs/dbraw/zinc/13/55/95/390135595.db2.gz GVFYVEJRNFNVGA-MRVPVSSYSA-N 0 3 267.289 0.390 20 5 CCBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]1 ZINC000580073636 390217131 /nfs/dbraw/zinc/21/71/31/390217131.db2.gz QOCJRACORBZVRJ-QMMMGPOBSA-N 0 3 286.313 0.020 20 5 CCBDHN CCN(C)C[C@@H](O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000571581318 390743303 /nfs/dbraw/zinc/74/33/03/390743303.db2.gz LPRWECZIIJZLNC-LLVKDONJSA-N 0 3 284.312 0.779 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@H]1CN ZINC000572961778 390813469 /nfs/dbraw/zinc/81/34/69/390813469.db2.gz ZVMXISMEYVFNFL-LLVKDONJSA-N 0 3 293.327 0.013 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C)C2)n1 ZINC000534288953 390891514 /nfs/dbraw/zinc/89/15/14/390891514.db2.gz NGKQKMUSUBHOEL-VIFPVBQESA-N 0 3 281.316 0.400 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000534309500 390892615 /nfs/dbraw/zinc/89/26/15/390892615.db2.gz GYVJHXLSWQASPZ-VIFPVBQESA-N 0 3 281.316 0.400 20 5 CCBDHN CN(C)C1(CN(C)C(=O)c2c[nH]nc2[N+](=O)[O-])CCC1 ZINC000549350694 286092093 /nfs/dbraw/zinc/09/20/93/286092093.db2.gz LSIXWHFKZYJLHO-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN CN(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000552156045 286156271 /nfs/dbraw/zinc/15/62/71/286156271.db2.gz PPCYWVVQRWOLNT-RYUDHWBXSA-N 0 3 297.286 0.481 20 5 CCBDHN O=C(CN1CCNCC1)Nc1ccccc1[N+](=O)[O-] ZINC000037399731 173177547 /nfs/dbraw/zinc/17/75/47/173177547.db2.gz GVCFPCQOVPWIOT-UHFFFAOYSA-N 0 3 264.285 0.439 20 5 CCBDHN CN(C)C[C@@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000519140216 265330177 /nfs/dbraw/zinc/33/01/77/265330177.db2.gz ODICMJPFLNCKOW-JTQLQIEISA-N 0 3 296.331 0.129 20 5 CCBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356150707 277573359 /nfs/dbraw/zinc/57/33/59/277573359.db2.gz OSOXYWYDUIUUDX-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN Cc1c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000576894028 335261680 /nfs/dbraw/zinc/26/16/80/335261680.db2.gz FHSJVBZHEUDNGD-STQMWFEESA-N 0 3 293.323 0.650 20 5 CCBDHN CCN(CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194361513 336018445 /nfs/dbraw/zinc/01/84/45/336018445.db2.gz PPQKKCUQDWINRU-LLVKDONJSA-N 0 3 284.312 0.649 20 5 CCBDHN CC[C@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000581425560 336075307 /nfs/dbraw/zinc/07/53/07/336075307.db2.gz IVKPIFQTPKHMDD-NSHDSACASA-N 0 3 267.333 0.817 20 5 CCBDHN COCCN(C)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000061379648 523612171 /nfs/dbraw/zinc/61/21/71/523612171.db2.gz XUAHCEFTYKPVAQ-UHFFFAOYSA-N 0 3 271.321 0.627 20 5 CCBDHN CC[C@@H]1OCC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000459766214 535945619 /nfs/dbraw/zinc/94/56/19/535945619.db2.gz DEULXXYXLUNIRT-NEPJUHHUSA-N 0 3 281.312 0.914 20 5 CCBDHN CN(C(=O)CN[C@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000763073364 581983752 /nfs/dbraw/zinc/98/37/52/581983752.db2.gz XAAKTVXKTFAOQJ-CYBMUJFWSA-N 0 3 293.323 0.918 20 5 CCBDHN CC(C)C(=O)NCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818943131 613912039 /nfs/dbraw/zinc/91/20/39/613912039.db2.gz UTSWTMDVDNIAOW-CYBMUJFWSA-N 0 3 295.339 0.990 20 5 CCBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1 ZINC000856489733 614161882 /nfs/dbraw/zinc/16/18/82/614161882.db2.gz QFZJESKUZHKTGY-NSHDSACASA-N 0 3 293.327 0.642 20 5 CCBDHN CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCN(C)CC1 ZINC000861890929 614718805 /nfs/dbraw/zinc/71/88/05/614718805.db2.gz PGJQDSNUFQBMQT-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN CCO[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@@H]1CCOC1 ZINC000870377681 615475266 /nfs/dbraw/zinc/47/52/66/615475266.db2.gz SAZHPAMGZWUKKR-BBBLOLIVSA-N 0 3 261.274 0.636 20 5 CCBDHN CC[S@](=O)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819048174 616016730 /nfs/dbraw/zinc/01/67/30/616016730.db2.gz UINDUXPAZZPOHK-BLVKFPJESA-N 0 3 286.353 0.986 20 5 CCBDHN CN(CCO)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000884826147 616108188 /nfs/dbraw/zinc/10/81/88/616108188.db2.gz LFHGOASBFCQWST-UHFFFAOYSA-N 0 3 287.291 0.562 20 5 CCBDHN CN1CCNC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182929 616248116 /nfs/dbraw/zinc/24/81/16/616248116.db2.gz LOBJQZZNHYTQLP-ZDUSSCGKSA-N 0 3 290.323 0.388 20 5 CCBDHN COCCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000813112457 616729678 /nfs/dbraw/zinc/72/96/78/616729678.db2.gz HJEZJWNOUJNHEU-MRVPVSSYSA-N 0 3 271.273 0.660 20 5 CCBDHN COC(=O)[C@]1(O)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000880562167 616783947 /nfs/dbraw/zinc/78/39/47/616783947.db2.gz VBWLNSWASFNRSB-AWEZNQCLSA-N 0 3 294.307 0.747 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000892141731 622609706 /nfs/dbraw/zinc/60/97/06/622609706.db2.gz CJAVSVHWKBAXAS-ZJUUUORDSA-N 0 3 281.316 0.603 20 5 CCBDHN CC(COC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)[N+](=O)[O-] ZINC000813115464 624677591 /nfs/dbraw/zinc/67/75/91/624677591.db2.gz SSQLAVOQWIMOBG-IUCAKERBSA-N 0 3 272.301 0.842 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)[N+](=O)[O-] ZINC000813115463 624677644 /nfs/dbraw/zinc/67/76/44/624677644.db2.gz SSQLAVOQWIMOBG-DTWKUNHWSA-N 0 3 272.301 0.842 20 5 CCBDHN Cn1ccnc1[C@](O)(CCNCC[N+](=O)[O-])C(F)(F)F ZINC000905061364 634793867 /nfs/dbraw/zinc/79/38/67/634793867.db2.gz HTNIHRYHMHLVNC-SECBINFHSA-N 0 3 296.249 0.426 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN(C)CCO ZINC000924996787 631703001 /nfs/dbraw/zinc/70/30/01/631703001.db2.gz BGBMYPBDYCMTCL-UHFFFAOYSA-N 0 3 281.312 0.557 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C ZINC000928450145 631854717 /nfs/dbraw/zinc/85/47/17/631854717.db2.gz CIDORULSMRWGDT-SFYZADRCSA-N 0 3 252.274 0.745 20 5 CCBDHN C[C@H](O)CN(CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000810040528 640921731 /nfs/dbraw/zinc/92/17/31/640921731.db2.gz UFWNTRXWXRKVRO-GXFFZTMASA-N 0 3 284.312 0.303 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN[C@H](C(C)C)C1 ZINC000826763898 641956247 /nfs/dbraw/zinc/95/62/47/641956247.db2.gz SSKMPNFNNGFEHG-NSHDSACASA-N 0 3 295.343 0.556 20 5 CCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000834600931 642612933 /nfs/dbraw/zinc/61/29/33/642612933.db2.gz WVBRNGGQLUIANL-VPOLOUISSA-N 0 3 271.292 0.296 20 5 CCBDHN CC(COC(=O)CN1CCN(C2CC2)C1=O)[N+](=O)[O-] ZINC000851036720 643829129 /nfs/dbraw/zinc/82/91/29/643829129.db2.gz LNTLZJKDAIFTHT-QMMMGPOBSA-N 0 3 271.273 0.095 20 5 CCBDHN O=[N+]([O-])c1cc(CO)c(NCCN2CC[C@@H](O)C2)cc1F ZINC000865972995 645450272 /nfs/dbraw/zinc/45/02/72/645450272.db2.gz QHXHNFWOJCPNTI-SNVBAGLBSA-N 0 3 299.302 0.705 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000134254036 647714877 /nfs/dbraw/zinc/71/48/77/647714877.db2.gz UDHLEGPTAQAAQY-NSHDSACASA-N 0 3 265.269 0.313 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000933485672 649123267 /nfs/dbraw/zinc/12/32/67/649123267.db2.gz JBRHIIZLODUGDM-LLVKDONJSA-N 0 3 295.343 0.652 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CCN1C ZINC001155894675 801072519 /nfs/dbraw/zinc/07/25/19/801072519.db2.gz XDXGYMRCFDFFJM-PRHODGIISA-N 0 3 278.312 0.999 20 5 CCBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1N)[C@@H]1CNCCO1 ZINC001159500800 801826154 /nfs/dbraw/zinc/82/61/54/801826154.db2.gz TYWSTMDKDFOAIN-XVKPBYJWSA-N 0 3 267.289 0.361 20 5 CCBDHN COc1ccnc(-n2nc(CN)cc2C)c1[N+](=O)[O-] ZINC001163977831 802643370 /nfs/dbraw/zinc/64/33/70/802643370.db2.gz KYNXXSSBHVLFRF-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN COc1nc(C)c([N+](=O)[O-])c(-n2ncc3c2CCNC3)n1 ZINC001165218397 802797241 /nfs/dbraw/zinc/79/72/41/802797241.db2.gz DJJHPLZCLGWXEH-UHFFFAOYSA-N 0 3 290.283 0.533 20 5 CCBDHN CS(=O)(=O)CCN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566111 808260293 /nfs/dbraw/zinc/26/02/93/808260293.db2.gz HXJTUGFVIWHNOR-LLVKDONJSA-N 0 3 284.337 0.696 20 5 CCBDHN NCc1cnnn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573973 808261398 /nfs/dbraw/zinc/26/13/98/808261398.db2.gz FCIMHZPDLJSZFW-NSHDSACASA-N 0 3 259.269 0.985 20 5 CCBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CC(N)=O ZINC001267356241 811205520 /nfs/dbraw/zinc/20/55/20/811205520.db2.gz OFZKBGDYFLAVFX-UHFFFAOYSA-N 0 3 294.311 0.018 20 5 CCBDHN COc1ccc([N+](=O)[O-])nc1NC(=N)N1CCN(C)CC1 ZINC001168737077 818559128 /nfs/dbraw/zinc/55/91/28/818559128.db2.gz ONASHCSZJRRQFG-UHFFFAOYSA-N 0 3 294.315 0.592 20 5 CCBDHN NCc1ncn(-c2ccc3[nH]cnc3c2[N+](=O)[O-])n1 ZINC001168756699 819300347 /nfs/dbraw/zinc/30/03/47/819300347.db2.gz JZIKSPXOMIZXJV-UHFFFAOYSA-N 0 3 259.229 0.511 20 5 CCBDHN CCOC(=O)CC1(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)COC1 ZINC001168978440 836075909 /nfs/dbraw/zinc/07/59/09/836075909.db2.gz SDVPUJDDKBHZLE-WDEREUQCSA-N 0 3 286.328 0.744 20 5 CCBDHN NC(=O)[C@@H]1CCCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026790 836115855 /nfs/dbraw/zinc/11/58/55/836115855.db2.gz OBWRCSLTNSUSKW-VWYCJHECSA-N 0 3 255.318 0.772 20 5 CCBDHN C[C@@H](Nc1cc([N+](=O)[O-])c(=O)n(C)c1)[C@H]1CNCCO1 ZINC001170566459 838126617 /nfs/dbraw/zinc/12/66/17/838126617.db2.gz GCKLIKLSFCUSLY-LDYMZIIASA-N 0 3 282.300 0.082 20 5 CCBDHN C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170566869 838128639 /nfs/dbraw/zinc/12/86/39/838128639.db2.gz HXWRHOHWBZGQTB-PSASIEDQSA-N 0 3 252.274 0.779 20 5 CCBDHN C[C@H](Nc1cc([N+](=O)[O-])c2nncn2c1)[C@H]1CNCCO1 ZINC001170574935 838162344 /nfs/dbraw/zinc/16/23/44/838162344.db2.gz VFSLOYOYKYVJHM-GZMMTYOYSA-N 0 3 292.299 0.426 20 5 CCBDHN CN(C)c1ncc(CNCCn2cc([N+](=O)[O-])cn2)cn1 ZINC001201192611 847738514 /nfs/dbraw/zinc/73/85/14/847738514.db2.gz RWYBKPULHYIALD-UHFFFAOYSA-N 0 3 291.315 0.437 20 5 CCBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC001275749523 848808309 /nfs/dbraw/zinc/80/83/09/848808309.db2.gz WXFZBGOJFQRWRA-SNVBAGLBSA-N 0 3 295.343 0.883 20 5 CCBDHN CC(C)N1CC[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC001275749521 848808731 /nfs/dbraw/zinc/80/87/31/848808731.db2.gz WXFZBGOJFQRWRA-JTQLQIEISA-N 0 3 295.343 0.883 20 5 CCBDHN Cc1ccc(NC(=O)[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000686125254 849062433 /nfs/dbraw/zinc/06/24/33/849062433.db2.gz JRHHADNPPJAMPB-GFCCVEGCSA-N 0 3 278.312 0.745 20 5 CCBDHN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC001116518697 855782677 /nfs/dbraw/zinc/78/26/77/855782677.db2.gz AFKAVYICFLIIES-VIFPVBQESA-N 0 3 293.327 0.709 20 5 CCBDHN COCn1ncc(C)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC001324269997 912750581 /nfs/dbraw/zinc/75/05/81/912750581.db2.gz KQOSDOBKYJNWBT-UHFFFAOYSA-N 0 3 294.315 0.690 20 5 CCBDHN CC[C@H](C)N1CCN(c2nnc(C[N+](=O)[O-])n2CC)CC1 ZINC001339466024 921729319 /nfs/dbraw/zinc/72/93/19/921729319.db2.gz DCLZDHWGWPVCMV-NSHDSACASA-N 0 3 296.375 0.995 20 5 CCBDHN COCC[C@@H](N)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331967775 917766686 /nfs/dbraw/zinc/76/66/86/917766686.db2.gz CEJAEOWLZJUPKF-GFCCVEGCSA-N 0 3 279.296 0.801 20 5 CCBDHN CC1(C)[C@H](NCC[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC001335470209 920219262 /nfs/dbraw/zinc/21/92/62/920219262.db2.gz UACUYWITOSGFPA-MNOVXSKESA-N 0 3 257.334 0.352 20 5 CCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1COC2(CNC2)C1 ZINC001340616563 922141812 /nfs/dbraw/zinc/14/18/12/922141812.db2.gz UQCFLCFCUCSQMR-NSHDSACASA-N 0 3 291.307 0.384 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC001340922971 922276080 /nfs/dbraw/zinc/27/60/80/922276080.db2.gz OIURWMNGPLZAPT-IUCAKERBSA-N 0 3 281.316 0.309 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCC[C@@H]1O ZINC000090589941 349438594 /nfs/dbraw/zinc/43/85/94/349438594.db2.gz ZSLDGTBYECSHAG-AAEUAGOBSA-N 0 3 295.339 0.849 20 5 CCBDHN CC[C@@H]1[C@@H](CO)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000451257222 529480620 /nfs/dbraw/zinc/48/06/20/529480620.db2.gz PUTBOEAOWIEYNH-ZYHUDNBSSA-N 0 3 268.317 0.884 20 5 CCBDHN CC[C@@H]1[C@@H](CO)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451249882 529481053 /nfs/dbraw/zinc/48/10/53/529481053.db2.gz CRRBSKYCPMRCIA-DGCLKSJQSA-N 0 3 295.339 0.849 20 5 CCBDHN CCN(C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102490878 349679265 /nfs/dbraw/zinc/67/92/65/349679265.db2.gz ZEGDGPOOXMCZKT-UHFFFAOYSA-N 0 3 283.332 0.594 20 5 CCBDHN O=C(CCN1CC[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000114470247 349831691 /nfs/dbraw/zinc/83/16/91/349831691.db2.gz VUPACCIEPWKRKZ-LBPRGKRZSA-N 0 3 279.296 0.990 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(CF)CC2)c1 ZINC000295133341 199362983 /nfs/dbraw/zinc/36/29/83/199362983.db2.gz LIJUNAYFIDBUMI-GFCCVEGCSA-N 0 3 286.307 0.834 20 5 CCBDHN COCCCN(CCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602817194 362817564 /nfs/dbraw/zinc/81/75/64/362817564.db2.gz QSMKJTKOZBVRJL-UHFFFAOYSA-N 0 3 286.332 0.431 20 5 CCBDHN COC[C@H](NCCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000602823647 362820028 /nfs/dbraw/zinc/82/00/28/362820028.db2.gz YAKVOKXIONQNBA-RYUDHWBXSA-N 0 3 298.343 0.883 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCNC1(C(=O)N(C)C)CC1 ZINC000602841800 362829581 /nfs/dbraw/zinc/82/95/81/362829581.db2.gz URCFOCAMWYDEFT-UHFFFAOYSA-N 0 3 281.316 0.310 20 5 CCBDHN C[C@@H]1C[C@H](CO)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000344135690 137179605 /nfs/dbraw/zinc/17/96/05/137179605.db2.gz SRPDRYZJGBYPEZ-GHMZBOCLSA-N 0 3 268.317 0.884 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCCN1C ZINC000343428128 137134333 /nfs/dbraw/zinc/13/43/33/137134333.db2.gz GYWMJCRUXYSYMK-UWVGGRQHSA-N 0 3 281.316 0.390 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NCCCCN1CCN(C)CC1 ZINC000029619489 348113776 /nfs/dbraw/zinc/11/37/76/348113776.db2.gz LKXIXNQBLBPETM-UHFFFAOYSA-N 0 3 296.375 0.768 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccncc2)c1 ZINC000037883822 348214777 /nfs/dbraw/zinc/21/47/77/348214777.db2.gz QEIBZGUGISOLTK-GFCCVEGCSA-N 0 3 277.284 0.337 20 5 CCBDHN C[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000040835000 348244722 /nfs/dbraw/zinc/24/47/22/348244722.db2.gz RRZROYMSDLDEPJ-JTQLQIEISA-N 0 3 278.312 0.591 20 5 CCBDHN CC(C)(N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040925687 348246119 /nfs/dbraw/zinc/24/61/19/348246119.db2.gz ZURPXLBBFQSFGK-UHFFFAOYSA-N 0 3 292.339 0.981 20 5 CCBDHN COC[C@@](C)(CO)NCCOc1ccccc1[N+](=O)[O-] ZINC000602932187 362894514 /nfs/dbraw/zinc/89/45/14/362894514.db2.gz NURJJFFBVJRZGY-CYBMUJFWSA-N 0 3 284.312 0.961 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](CO)C1 ZINC000051887569 348499715 /nfs/dbraw/zinc/49/97/15/348499715.db2.gz SQWBGSHEEXNNDU-SNVBAGLBSA-N 0 3 254.290 0.414 20 5 CCBDHN C[C@H]1[C@@H](CO)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000412098987 233058838 /nfs/dbraw/zinc/05/88/38/233058838.db2.gz VYCXJECFJHZHNV-WDEREUQCSA-N 0 3 268.317 0.884 20 5 CCBDHN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000066652953 348752765 /nfs/dbraw/zinc/75/27/65/348752765.db2.gz BYKMGCDJHOLISK-MRVPVSSYSA-N 0 3 253.258 0.869 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000068421206 348809599 /nfs/dbraw/zinc/80/95/99/348809599.db2.gz PNHYTGFTTLUNKU-LLVKDONJSA-N 0 3 295.343 0.700 20 5 CCBDHN CCN(C)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000068468059 348811641 /nfs/dbraw/zinc/81/16/41/348811641.db2.gz WJBZIXRXANQEAJ-UHFFFAOYSA-N 0 3 269.305 0.168 20 5 CCBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H](C)N1 ZINC000070078781 348871500 /nfs/dbraw/zinc/87/15/00/348871500.db2.gz QWZOACSKTINEMX-OCAPTIKFSA-N 0 3 279.300 0.275 20 5 CCBDHN CCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076430996 349083642 /nfs/dbraw/zinc/08/36/42/349083642.db2.gz ZZEXHLBSIUELHT-MRVPVSSYSA-N 0 3 266.305 0.863 20 5 CCBDHN Cc1cc(C(=O)N2CCN(C)C[C@H]2CN)ccc1[N+](=O)[O-] ZINC000124316713 350095303 /nfs/dbraw/zinc/09/53/03/350095303.db2.gz ZWINYHMEKRRZHE-GFCCVEGCSA-N 0 3 292.339 0.618 20 5 CCBDHN COC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000127969604 350181659 /nfs/dbraw/zinc/18/16/59/350181659.db2.gz OCLWAJVIAJVVDN-ZYHUDNBSSA-N 0 3 296.327 0.483 20 5 CCBDHN COCCNCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000092495645 180396392 /nfs/dbraw/zinc/39/63/92/180396392.db2.gz NJOBKLAWYJIKTN-UHFFFAOYSA-N 0 3 267.285 0.447 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCN(CCO)CCCO)cc1 ZINC000109797621 186272894 /nfs/dbraw/zinc/27/28/94/186272894.db2.gz XHLRIGKLHZUWET-UHFFFAOYSA-N 0 3 284.312 0.650 20 5 CCBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000161273098 350717526 /nfs/dbraw/zinc/71/75/26/350717526.db2.gz QSVCZDAEIVCMHQ-ZJUUUORDSA-N 0 3 296.331 0.031 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000174858227 351107980 /nfs/dbraw/zinc/10/79/80/351107980.db2.gz LTCCEPQJINDZFI-DHHPTOIESA-N 0 3 266.301 0.779 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N(C)C)C2)n1 ZINC000191800618 351773619 /nfs/dbraw/zinc/77/36/19/351773619.db2.gz DSMMLXRRJVSGDI-VIFPVBQESA-N 0 3 281.316 0.587 20 5 CCBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC[NH3+])c1[N+](=O)[O-] ZINC000193226130 351817368 /nfs/dbraw/zinc/81/73/68/351817368.db2.gz JDBNZFQARJXGJL-UHFFFAOYSA-N 0 3 273.314 0.449 20 5 CCBDHN O=[N+]([O-])c1cc(CNC[C@@]2(O)CCOC2)cs1 ZINC000229640634 352095061 /nfs/dbraw/zinc/09/50/61/352095061.db2.gz ITUINJAVLFBWLE-JTQLQIEISA-N 0 3 258.299 0.897 20 5 CCBDHN COCCOC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000234732785 352168175 /nfs/dbraw/zinc/16/81/75/352168175.db2.gz LKUQXLYTXMGBNT-ZDUSSCGKSA-N 0 3 284.312 0.708 20 5 CCBDHN Cc1nn(C)c(C(=O)N2C[C@@H](C)NC[C@H]2C)c1[N+](=O)[O-] ZINC000237466619 352267129 /nfs/dbraw/zinc/26/71/29/352267129.db2.gz YLBWGXHZZSIEFC-HTQZYQBOSA-N 0 3 281.316 0.459 20 5 CCBDHN C[C@@H](CO)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248464901 352442885 /nfs/dbraw/zinc/44/28/85/352442885.db2.gz RIBTXAXMWJHLNY-WDEREUQCSA-N 0 3 284.312 0.647 20 5 CCBDHN C[C@H](CO)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248464900 352442962 /nfs/dbraw/zinc/44/29/62/352442962.db2.gz RIBTXAXMWJHLNY-GHMZBOCLSA-N 0 3 284.312 0.647 20 5 CCBDHN CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000270887872 352999243 /nfs/dbraw/zinc/99/92/43/352999243.db2.gz KXOWXZIMNPOOFN-MWLCHTKSSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N(C)C ZINC000272355971 353055557 /nfs/dbraw/zinc/05/55/57/353055557.db2.gz BLNHMBCTLXYGDI-QMMMGPOBSA-N 0 3 266.301 0.857 20 5 CCBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cn[nH]c1 ZINC000275030553 353181130 /nfs/dbraw/zinc/18/11/30/353181130.db2.gz AIXBGHZOWHLTAJ-SECBINFHSA-N 0 3 277.284 0.830 20 5 CCBDHN C[C@@H](N(C)CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)O ZINC000295174939 199387726 /nfs/dbraw/zinc/38/77/26/199387726.db2.gz OVWQBBKKRUJPKK-SNVBAGLBSA-N 0 3 283.328 0.848 20 5 CCBDHN C[C@]1(O)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000279844204 353318726 /nfs/dbraw/zinc/31/87/26/353318726.db2.gz ARGAXXFXCIEAAT-AWEZNQCLSA-N 0 3 295.339 0.993 20 5 CCBDHN Cc1n[n-]c(C(=O)NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000279948350 353327438 /nfs/dbraw/zinc/32/74/38/353327438.db2.gz IBSYWYZCDFBNOU-UHFFFAOYSA-N 0 3 279.300 0.618 20 5 CCBDHN Cc1n[n-]c(C(=O)NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000279948350 353327441 /nfs/dbraw/zinc/32/74/41/353327441.db2.gz IBSYWYZCDFBNOU-UHFFFAOYSA-N 0 3 279.300 0.618 20 5 CCBDHN C[C@H](N(C)CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)O ZINC000295174937 199388332 /nfs/dbraw/zinc/38/83/32/199388332.db2.gz OVWQBBKKRUJPKK-JTQLQIEISA-N 0 3 283.328 0.848 20 5 CCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000282918080 353463608 /nfs/dbraw/zinc/46/36/08/353463608.db2.gz GCUODZRQHBPCNC-QMMMGPOBSA-N 0 3 299.308 0.502 20 5 CCBDHN CCN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000286325456 353577927 /nfs/dbraw/zinc/57/79/27/353577927.db2.gz DNVWULYFQWFDII-GFCCVEGCSA-N 0 3 294.355 0.783 20 5 CCBDHN CN1CCC[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 ZINC000294180683 353876734 /nfs/dbraw/zinc/87/67/34/353876734.db2.gz OXZXZXCFOMEPIS-ZDUSSCGKSA-N 0 3 293.327 0.876 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000299327231 354008721 /nfs/dbraw/zinc/00/87/21/354008721.db2.gz YUQPCCFDDHWJTG-SECBINFHSA-N 0 3 267.289 0.002 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)N(C)C ZINC000299565928 354028624 /nfs/dbraw/zinc/02/86/24/354028624.db2.gz YUHCOKPSYIZLBE-VIFPVBQESA-N 0 3 283.332 0.556 20 5 CCBDHN COC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304276820 354110959 /nfs/dbraw/zinc/11/09/59/354110959.db2.gz CWIHHACBAKWBOT-LLVKDONJSA-N 0 3 284.316 0.263 20 5 CCBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1CO ZINC000305197887 354138160 /nfs/dbraw/zinc/13/81/60/354138160.db2.gz USMWJTVUQPSPTN-JQWIXIFHSA-N 0 3 268.317 0.884 20 5 CCBDHN CN(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000332694593 354722752 /nfs/dbraw/zinc/72/27/52/354722752.db2.gz VPVHRILVRFKNTD-QMMMGPOBSA-N 0 3 252.274 0.699 20 5 CCBDHN O=C(N[C@@H]1CNCCC1(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC000423702409 235039594 /nfs/dbraw/zinc/03/95/94/235039594.db2.gz YGMXLMRYNBCPBL-ZCFIWIBFSA-N 0 3 275.215 0.045 20 5 CCBDHN NC1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000423718108 235042590 /nfs/dbraw/zinc/04/25/90/235042590.db2.gz BWLCPUUYELFDNW-UHFFFAOYSA-N 0 3 275.268 0.713 20 5 CCBDHN O=[N+]([O-])c1cnccc1NC[C@H](O)CN1CCCCC1 ZINC000340150202 355512560 /nfs/dbraw/zinc/51/25/60/355512560.db2.gz RUZKHOCITMMTHR-NSHDSACASA-N 0 3 280.328 0.670 20 5 CCBDHN C[C@H]1CCN(C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000354005567 356329312 /nfs/dbraw/zinc/32/93/12/356329312.db2.gz HOERMCXGRWEXGE-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@@H]1O ZINC000361379603 138033321 /nfs/dbraw/zinc/03/33/21/138033321.db2.gz VSWJUMXBSNBHCB-OLZOCXBDSA-N 0 3 266.297 0.829 20 5 CCBDHN CN1CCC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000609383130 363492133 /nfs/dbraw/zinc/49/21/33/363492133.db2.gz IYTNKSBEXIPUGJ-JTQLQIEISA-N 0 3 281.316 0.249 20 5 CCBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000619787311 366353291 /nfs/dbraw/zinc/35/32/91/366353291.db2.gz PQWVBDNJTXZWEO-SECBINFHSA-N 0 3 279.300 0.532 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](N(C)C)[C@@H](O)C1 ZINC000359954488 356927298 /nfs/dbraw/zinc/92/72/98/356927298.db2.gz OBTZCYVVZNGFKI-ZJUUUORDSA-N 0 3 283.332 0.231 20 5 CCBDHN C[C@@H](NCC1(CO)COC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294889065 199234218 /nfs/dbraw/zinc/23/42/18/199234218.db2.gz VFJZTVHCBCCGDC-SECBINFHSA-N 0 3 281.312 0.837 20 5 CCBDHN Cc1nn(C)c(N2CC[C@@H](OCCN(C)C)C2)c1[N+](=O)[O-] ZINC000610764387 363611981 /nfs/dbraw/zinc/61/19/81/363611981.db2.gz DSXINRWCUDIFCX-LLVKDONJSA-N 0 3 297.359 0.794 20 5 CCBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000570092186 358821851 /nfs/dbraw/zinc/82/18/51/358821851.db2.gz XIECUCLFOZGZIC-MRVPVSSYSA-N 0 3 286.313 0.005 20 5 CCBDHN CNc1nccc(C(=O)NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000569590231 358776228 /nfs/dbraw/zinc/77/62/28/358776228.db2.gz UJKKBVCVLIVTNU-VIFPVBQESA-N 0 3 293.327 0.277 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000588864227 359343938 /nfs/dbraw/zinc/34/39/38/359343938.db2.gz AHQXBEOUEVPKHB-SNVBAGLBSA-N 0 3 267.285 0.247 20 5 CCBDHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000588864687 359344498 /nfs/dbraw/zinc/34/44/98/359344498.db2.gz ORGANYJHEUMCHZ-LLVKDONJSA-N 0 3 281.312 0.556 20 5 CCBDHN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595114342 360438365 /nfs/dbraw/zinc/43/83/65/360438365.db2.gz WWKYXZFUISITSD-JGVFFNPUSA-N 0 3 288.329 0.394 20 5 CCBDHN O=[N+]([O-])c1ccccc1CN1CCOC2(CNC2)C1 ZINC000596102827 360795153 /nfs/dbraw/zinc/79/51/53/360795153.db2.gz ZHOOWWBORYOOLJ-UHFFFAOYSA-N 0 3 263.297 0.769 20 5 CCBDHN CN1CC[C@@](O)(CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596198019 360830386 /nfs/dbraw/zinc/83/03/86/360830386.db2.gz PAHKWXDBYJRKJB-LLVKDONJSA-N 0 3 286.719 0.544 20 5 CCBDHN CCCN1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000598343894 361392176 /nfs/dbraw/zinc/39/21/76/361392176.db2.gz XXWMVUYRWPBWFR-JTQLQIEISA-N 0 3 281.316 0.392 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598573817 361447152 /nfs/dbraw/zinc/44/71/52/361447152.db2.gz PECSONDMHJZGLH-JTQLQIEISA-N 0 3 295.343 0.707 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000598650185 361471966 /nfs/dbraw/zinc/47/19/66/361471966.db2.gz NKDSOGJCWLGKOZ-MNOVXSKESA-N 0 3 268.317 0.742 20 5 CCBDHN O=[N+]([O-])c1ccc(CNCCN2CC[C@H](O)C2)c(F)c1 ZINC000599018507 361556764 /nfs/dbraw/zinc/55/67/64/361556764.db2.gz KQZBFYADUJERMY-LBPRGKRZSA-N 0 3 283.303 0.890 20 5 CCBDHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599110391 361576081 /nfs/dbraw/zinc/57/60/81/361576081.db2.gz CSGMGVWADNALNK-DTWKUNHWSA-N 0 3 285.325 0.624 20 5 CCBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@@H](CO)[C@H](CO)C1 ZINC000599531505 361729116 /nfs/dbraw/zinc/72/91/16/361729116.db2.gz ZNQUFAQKVCYEKE-RYUDHWBXSA-N 0 3 296.323 0.506 20 5 CCBDHN CC(C)O[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000564916492 291315452 /nfs/dbraw/zinc/31/54/52/291315452.db2.gz XQUPCSXWGIHIAT-CHWSQXEVSA-N 0 3 298.343 0.652 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCC[C@H]1CCO ZINC000330582409 203000542 /nfs/dbraw/zinc/00/05/42/203000542.db2.gz SGKWSIAQRLBMQJ-UWVGGRQHSA-N 0 3 268.317 0.969 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000330681465 203113386 /nfs/dbraw/zinc/11/33/86/203113386.db2.gz OVDRDTXFLUCCGH-ZETCQYMHSA-N 0 3 255.278 0.008 20 5 CCBDHN CN(C)C1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000276102078 193214671 /nfs/dbraw/zinc/21/46/71/193214671.db2.gz ZBQGKNQIYXHATK-UHFFFAOYSA-N 0 3 295.343 0.782 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN2CCC[C@@H]2C1 ZINC000331849882 204228295 /nfs/dbraw/zinc/22/82/95/204228295.db2.gz ODGBJWLZTOIATQ-SECBINFHSA-N 0 3 264.285 0.843 20 5 CCBDHN COCCN(C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000263796565 190079237 /nfs/dbraw/zinc/07/92/37/190079237.db2.gz RVWYPHUSIQGQGV-UHFFFAOYSA-N 0 3 295.339 0.832 20 5 CCBDHN CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C1CC1 ZINC000263945715 190086166 /nfs/dbraw/zinc/08/61/66/190086166.db2.gz GXEOXEDXUKPMFB-UHFFFAOYSA-N 0 3 252.278 0.473 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCC[C@@H]2F)c1 ZINC000569962139 291723671 /nfs/dbraw/zinc/72/36/71/291723671.db2.gz PBAJGBBBJLUOPO-GARJFASQSA-N 0 3 272.280 0.632 20 5 CCBDHN CN(C)C[C@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267536064 190336462 /nfs/dbraw/zinc/33/64/62/190336462.db2.gz SPTLIZBLURSKTR-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN CN(C)CC1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000281067074 195090597 /nfs/dbraw/zinc/09/05/97/195090597.db2.gz MHRFVDMMHXIAJJ-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1CO ZINC000190368200 388989298 /nfs/dbraw/zinc/98/92/98/388989298.db2.gz RWLUDGWETQCAEC-CMPLNLGQSA-N 0 3 281.312 0.459 20 5 CCBDHN COc1ccc(CNC(=O)[C@H](C)N)cc1[N+](=O)[O-] ZINC000083395030 389002056 /nfs/dbraw/zinc/00/20/56/389002056.db2.gz BQNVXLGJBUSLAI-ZETCQYMHSA-N 0 3 253.258 0.567 20 5 CCBDHN CCN(C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000133400381 389234367 /nfs/dbraw/zinc/23/43/67/389234367.db2.gz VQVLXODTHWFNDJ-UHFFFAOYSA-N 0 3 283.332 0.558 20 5 CCBDHN C[C@@H]1CC[C@@H](O)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000420998291 389343188 /nfs/dbraw/zinc/34/31/88/389343188.db2.gz BNDBZLBIJNXRGT-MWLCHTKSSA-N 0 3 254.290 0.637 20 5 CCBDHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000421083744 389351911 /nfs/dbraw/zinc/35/19/11/389351911.db2.gz JZAYTVGTRFKQFG-SNVBAGLBSA-N 0 3 293.327 0.970 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCCN(CCO)CCO)cc1 ZINC000173659305 389506117 /nfs/dbraw/zinc/50/61/17/389506117.db2.gz PKWSRQLONRUIIA-UHFFFAOYSA-N 0 3 284.312 0.650 20 5 CCBDHN COCCOC[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174878918 389531993 /nfs/dbraw/zinc/53/19/93/389531993.db2.gz ZUXBKJVPRQQZJK-LBPRGKRZSA-N 0 3 298.343 0.776 20 5 CCBDHN CN1CCNC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000414965092 389647544 /nfs/dbraw/zinc/64/75/44/389647544.db2.gz MZRSDMDEODBSGJ-LBPRGKRZSA-N 0 3 282.319 0.727 20 5 CCBDHN CC1(O)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000177327088 389579027 /nfs/dbraw/zinc/57/90/27/389579027.db2.gz KHHZZPTYVGBZGY-UHFFFAOYSA-N 0 3 254.290 0.638 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)CN1C ZINC000351943096 389721437 /nfs/dbraw/zinc/72/14/37/389721437.db2.gz DOLACCZRFHDOMI-VXGBXAGGSA-N 0 3 294.355 0.781 20 5 CCBDHN O=C(COC1CNC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000429706665 389766625 /nfs/dbraw/zinc/76/66/25/389766625.db2.gz WSCGOEOOUMGIOP-UHFFFAOYSA-N 0 3 294.311 0.111 20 5 CCBDHN COC1CC(N(C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352195131 389768951 /nfs/dbraw/zinc/76/89/51/389768951.db2.gz OIBFTIIOMPUAAE-UHFFFAOYSA-N 0 3 254.290 0.901 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCOC1 ZINC000352220601 389773817 /nfs/dbraw/zinc/77/38/17/389773817.db2.gz INFPDLPLZDFVIU-GFCCVEGCSA-N 0 3 281.312 0.867 20 5 CCBDHN C[C@H](NC(=O)COC1CNC1)c1cccc([N+](=O)[O-])c1 ZINC000429980825 389778177 /nfs/dbraw/zinc/77/81/77/389778177.db2.gz CWMHMPLJJIDRSJ-VIFPVBQESA-N 0 3 279.296 0.760 20 5 CCBDHN CN1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000416498431 389748530 /nfs/dbraw/zinc/74/85/30/389748530.db2.gz XGERRLWGJLGEKI-JTQLQIEISA-N 0 3 299.352 0.825 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C)C2)n1 ZINC000579188780 390149086 /nfs/dbraw/zinc/14/90/86/390149086.db2.gz QJMANLYEPNWJDQ-JTQLQIEISA-N 0 3 295.343 0.883 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2C[C@@H](O)C2)c1 ZINC000573001025 390819318 /nfs/dbraw/zinc/81/93/18/390819318.db2.gz ABMAHYUYNIEAJR-WCQGTBRESA-N 0 3 282.296 0.447 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000330916213 533606205 /nfs/dbraw/zinc/60/62/05/533606205.db2.gz UXQAPMZIEXKXRH-ZJUUUORDSA-N 0 3 281.316 0.390 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000425058676 533660265 /nfs/dbraw/zinc/66/02/65/533660265.db2.gz PBXQIKMQTBBYFO-VHSXEESVSA-N 0 3 293.327 0.793 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000425058676 533660272 /nfs/dbraw/zinc/66/02/72/533660272.db2.gz PBXQIKMQTBBYFO-VHSXEESVSA-N 0 3 293.327 0.793 20 5 CCBDHN COCCNCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237278514 131019957 /nfs/dbraw/zinc/01/99/57/131019957.db2.gz BWKHCHCLGOGLRX-UHFFFAOYSA-N 0 3 296.327 0.359 20 5 CCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N(C)C ZINC000356460594 144004550 /nfs/dbraw/zinc/00/45/50/144004550.db2.gz DQYPDULVNIJCEK-SSDOTTSWSA-N 0 3 255.278 0.008 20 5 CCBDHN C[C@@H]1[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000357030551 144052359 /nfs/dbraw/zinc/05/23/59/144052359.db2.gz FDACYMXLTGHBCZ-GHMZBOCLSA-N 0 3 267.333 0.816 20 5 CCBDHN C[C@@H]1[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000357039365 144052957 /nfs/dbraw/zinc/05/29/57/144052957.db2.gz OCUKLMROFMSNPU-NEPJUHHUSA-N 0 3 294.355 0.781 20 5 CCBDHN Cc1sc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358065395 144148220 /nfs/dbraw/zinc/14/82/20/144148220.db2.gz LIRVGYRNJCTVDA-LBPRGKRZSA-N 0 3 299.352 0.761 20 5 CCBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cn[nH]c1 ZINC000358802768 144180497 /nfs/dbraw/zinc/18/04/97/144180497.db2.gz DTEYJXCGHHKEJW-LDYMZIIASA-N 0 3 280.288 0.226 20 5 CCBDHN CNc1c(C(=O)N[C@H](CO)CN(C)C)cccc1[N+](=O)[O-] ZINC000597652644 397585120 /nfs/dbraw/zinc/58/51/20/397585120.db2.gz DBPFTVHWPWXFJC-VIFPVBQESA-N 0 3 296.327 0.289 20 5 CCBDHN CN(CCN1CCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549186126 286088812 /nfs/dbraw/zinc/08/88/12/286088812.db2.gz UHVFBGKRIWQJTQ-UHFFFAOYSA-N 0 3 267.289 0.486 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[NH3+])cc1C ZINC000021813414 171330345 /nfs/dbraw/zinc/33/03/45/171330345.db2.gz QEQJAGRLGZLNHP-UHFFFAOYSA-N 0 3 273.314 0.449 20 5 CCBDHN CN(C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000133507651 276790401 /nfs/dbraw/zinc/79/04/01/276790401.db2.gz KICMZNDXCNNXOZ-UHFFFAOYSA-N 0 3 280.328 0.998 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000086467740 278843449 /nfs/dbraw/zinc/84/34/49/278843449.db2.gz QYDIBSDCGHVMQE-JGVFFNPUSA-N 0 3 252.274 0.745 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCNC1 ZINC000071397234 281019671 /nfs/dbraw/zinc/01/96/71/281019671.db2.gz CBAYZZYVAXRJSV-SNVBAGLBSA-N 0 3 299.352 0.934 20 5 CCBDHN COCCNCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000576637611 335229140 /nfs/dbraw/zinc/22/91/40/335229140.db2.gz SNYDQKHPXIJSGH-UHFFFAOYSA-N 0 3 294.311 0.111 20 5 CCBDHN COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2N)cc([N+](=O)[O-])c1 ZINC000424091510 533882600 /nfs/dbraw/zinc/88/26/00/533882600.db2.gz OIGVEMQWVQKXAR-ZJUUUORDSA-N 0 3 279.252 0.667 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1C ZINC000423618363 534120703 /nfs/dbraw/zinc/12/07/03/534120703.db2.gz UIXGNMHILAMPDT-RQJHMYQMSA-N 0 3 253.262 0.140 20 5 CCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N(C)C ZINC000050708811 524460556 /nfs/dbraw/zinc/46/05/56/524460556.db2.gz NRKRHOKJIIDZKB-MRVPVSSYSA-N 0 3 266.301 0.857 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CNCCO1 ZINC000157353314 526074453 /nfs/dbraw/zinc/07/44/53/526074453.db2.gz LNDSLYAYNQUNJY-LLVKDONJSA-N 0 3 279.296 0.621 20 5 CCBDHN CN(C)CCN(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347876755 535855754 /nfs/dbraw/zinc/85/57/54/535855754.db2.gz NQPDWNMRJXEMEB-UHFFFAOYSA-N 0 3 264.289 0.635 20 5 CCBDHN CN(CCN1CCCC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359028424 536369439 /nfs/dbraw/zinc/36/94/39/536369439.db2.gz QGHTWZLTVGKQTP-UHFFFAOYSA-N 0 3 293.327 0.971 20 5 CCBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791292355 581212873 /nfs/dbraw/zinc/21/28/73/581212873.db2.gz LOWXZCQGYFGWKC-UHFFFAOYSA-N 0 3 270.264 0.608 20 5 CCBDHN CC(COC(=O)c1cnn2c1OCCC2)[N+](=O)[O-] ZINC000797280310 581463563 /nfs/dbraw/zinc/46/35/63/581463563.db2.gz NGDJOTVEFWIQBB-SSDOTTSWSA-N 0 3 255.230 0.488 20 5 CCBDHN NC(=O)C1(NCCn2cc([N+](=O)[O-])ccc2=O)CCCC1 ZINC000761679914 581917725 /nfs/dbraw/zinc/91/77/25/581917725.db2.gz IXPDLKQSSDGUOJ-UHFFFAOYSA-N 0 3 294.311 0.144 20 5 CCBDHN O=[N+]([O-])c1cnn(CN2CCN(C3CCOCC3)CC2)c1 ZINC000747472464 581942288 /nfs/dbraw/zinc/94/22/88/581942288.db2.gz YLNAKPDISKCJFQ-UHFFFAOYSA-N 0 3 295.343 0.545 20 5 CCBDHN O=[N+]([O-])c1ccnn1CN1CCN(C2CCOCC2)CC1 ZINC000747472429 581942463 /nfs/dbraw/zinc/94/24/63/581942463.db2.gz XWDDVTKTEHZWQJ-UHFFFAOYSA-N 0 3 295.343 0.545 20 5 CCBDHN CC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)(C)C ZINC000835457152 614095486 /nfs/dbraw/zinc/09/54/86/614095486.db2.gz XJLCBIMVYBVKQS-IONNQARKSA-N 0 3 260.290 0.746 20 5 CCBDHN CC(C)N1CCO[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842334190 614366180 /nfs/dbraw/zinc/36/61/80/614366180.db2.gz PFBSOTYJIZOJAU-HBNTYKKESA-N 0 3 272.301 0.304 20 5 CCBDHN CC1(C)CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000826805008 614593885 /nfs/dbraw/zinc/59/38/85/614593885.db2.gz LEEDBKIBQUPOST-LBPRGKRZSA-N 0 3 293.323 0.839 20 5 CCBDHN CC1(C)C[C@H](O)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000879621749 614780291 /nfs/dbraw/zinc/78/02/91/614780291.db2.gz YIPKQMVVCPQKTF-JTQLQIEISA-N 0 3 268.317 0.884 20 5 CCBDHN CN(C)C[C@@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000813356277 615934699 /nfs/dbraw/zinc/93/46/99/615934699.db2.gz VTSDKJPYJQCUEH-VIFPVBQESA-N 0 3 296.258 0.720 20 5 CCBDHN CN(CCO)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000884824639 616108611 /nfs/dbraw/zinc/10/86/11/616108611.db2.gz FSZPCQSNUDNQSO-UHFFFAOYSA-N 0 3 274.708 0.979 20 5 CCBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@@H]21 ZINC000836849187 616328186 /nfs/dbraw/zinc/32/81/86/616328186.db2.gz ONNACQYPOBIJAR-RNCFNFMXSA-N 0 3 290.323 0.953 20 5 CCBDHN COCCNC(=O)[C@H]1CC[C@@H](C)N(CC[N+](=O)[O-])C1 ZINC000929354900 616499190 /nfs/dbraw/zinc/49/91/90/616499190.db2.gz LNWWUNPRVUYCCC-MNOVXSKESA-N 0 3 273.333 0.126 20 5 CCBDHN COC(=O)[C@]12CN(CC[N+](=O)[O-])C[C@H]1CCCC2 ZINC000930883682 616567255 /nfs/dbraw/zinc/56/72/55/616567255.db2.gz IENSOOIRNQWTBZ-ZYHUDNBSSA-N 0 3 256.302 0.928 20 5 CCBDHN CC[C@@H](NC[C@@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC000090282366 624481252 /nfs/dbraw/zinc/48/12/52/624481252.db2.gz YEFKYHIGCNVILG-VXGBXAGGSA-N 0 3 254.286 0.989 20 5 CCBDHN CC(COC(=O)c1cccn2c(=O)[nH]nc12)[N+](=O)[O-] ZINC000813110208 624654641 /nfs/dbraw/zinc/65/46/41/624654641.db2.gz URRUDGHOQWWFMQ-ZCFIWIBFSA-N 0 3 266.213 0.257 20 5 CCBDHN CC(COC(=O)[C@@H]1CCc2ncncc2C1)[N+](=O)[O-] ZINC000842801491 640230647 /nfs/dbraw/zinc/23/06/47/640230647.db2.gz ITMSXRFXOJLPEM-RKDXNWHRSA-N 0 3 265.269 0.790 20 5 CCBDHN CC(COC(=O)COCc1ccccn1)[N+](=O)[O-] ZINC000813103664 641022662 /nfs/dbraw/zinc/02/26/62/641022662.db2.gz DNQKMNUNGIOLIU-VIFPVBQESA-N 0 3 254.242 0.807 20 5 CCBDHN CC(COC(=O)c1ccccc1OCC(N)=O)[N+](=O)[O-] ZINC000813115597 641024508 /nfs/dbraw/zinc/02/45/08/641024508.db2.gz WBOFRLMYWLZLEL-MRVPVSSYSA-N 0 3 282.252 0.373 20 5 CCBDHN Cc1cc(F)cc(C(=O)N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000854466785 644208557 /nfs/dbraw/zinc/20/85/57/644208557.db2.gz KMAUYKFITULLKF-SNVBAGLBSA-N 0 3 299.302 0.695 20 5 CCBDHN CC(COC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)[N+](=O)[O-] ZINC000870378031 645987421 /nfs/dbraw/zinc/98/74/21/645987421.db2.gz ULFFRXJGFDIWDI-QYNIQEEDSA-N 0 3 287.190 0.541 20 5 CCBDHN O=[N+]([O-])CCN1CC2(CCOCC2)CC[C@H]1CO ZINC000931172509 648953238 /nfs/dbraw/zinc/95/32/38/648953238.db2.gz WLNINVVDXKTIQH-NSHDSACASA-N 0 3 258.318 0.517 20 5 CCBDHN CC(C)CC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154239406 800745444 /nfs/dbraw/zinc/74/54/44/800745444.db2.gz PHQWUFFYECRBGB-UHFFFAOYSA-N 0 3 297.359 0.970 20 5 CCBDHN NCc1cn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])cn1 ZINC001154908537 800867292 /nfs/dbraw/zinc/86/72/92/800867292.db2.gz ADTICDWORHGJTR-UHFFFAOYSA-N 0 3 269.648 0.526 20 5 CCBDHN COC(=O)Cc1ccc(-n2cnc(CN)c2)cc1[N+](=O)[O-] ZINC001162304070 802311166 /nfs/dbraw/zinc/31/11/66/802311166.db2.gz HMEVPYQNNWWZES-UHFFFAOYSA-N 0 3 290.279 0.955 20 5 CCBDHN COc1cc(-n2cnc3c2CNCC3)ncc1[N+](=O)[O-] ZINC001164313401 802719350 /nfs/dbraw/zinc/71/93/50/802719350.db2.gz HQZRJXDWVLCYIK-UHFFFAOYSA-N 0 3 275.268 0.830 20 5 CCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c([O-])coc2c1 ZINC001225343241 805121093 /nfs/dbraw/zinc/12/10/93/805121093.db2.gz SKDSDUYLJUDQKX-SNVBAGLBSA-N 0 3 294.327 0.624 20 5 CCBDHN CCNC(=O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585925 808264597 /nfs/dbraw/zinc/26/45/97/808264597.db2.gz YVACXKOOHQMUSE-NSHDSACASA-N 0 3 263.297 0.788 20 5 CCBDHN COc1ccc(C[C@](C)(O)CNCC[N+](=O)[O-])cc1OC ZINC001262574689 809351271 /nfs/dbraw/zinc/35/12/71/809351271.db2.gz YGYXDTFCKWXUMS-AWEZNQCLSA-N 0 3 298.339 0.864 20 5 CCBDHN CC(COC(=O)c1ccc(C(N)=O)nc1)[N+](=O)[O-] ZINC001122969072 816818332 /nfs/dbraw/zinc/81/83/32/816818332.db2.gz YCMOPFCTMXBIGH-ZCFIWIBFSA-N 0 3 253.214 0.003 20 5 CCBDHN COc1ncnc(-n2nccc2CN)c1[N+](=O)[O-] ZINC001155125245 822049258 /nfs/dbraw/zinc/04/92/58/822049258.db2.gz MINFNGKXZLZPPA-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN([C@H]3CCOC3)CC2)C1 ZINC001169005938 836094609 /nfs/dbraw/zinc/09/46/09/836094609.db2.gz DJCBZLRYSRHQPD-RDBSUJKOSA-N 0 3 283.372 0.838 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(-n2nncc2CN)n1 ZINC001169304560 836205929 /nfs/dbraw/zinc/20/59/29/836205929.db2.gz YRLZLSLMBPODNB-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc([C@H](C)N)n1 ZINC001158348383 838084775 /nfs/dbraw/zinc/08/47/75/838084775.db2.gz FZYNHKJFLNNGME-ZETCQYMHSA-N 0 3 291.267 0.982 20 5 CCBDHN COc1ncc(/C=C/C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813102650 838676946 /nfs/dbraw/zinc/67/69/46/838676946.db2.gz IEEYOBKRWISSNR-RTMURIBGSA-N 0 3 267.241 0.707 20 5 CCBDHN C[C@@H](O)[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000717289894 848218390 /nfs/dbraw/zinc/21/83/90/848218390.db2.gz ZAXWXSYMCMJRBG-SBMIAAHKSA-N 0 3 254.286 0.987 20 5 CCBDHN Cc1ccc(NC(=O)[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000686125255 849062079 /nfs/dbraw/zinc/06/20/79/849062079.db2.gz JRHHADNPPJAMPB-LBPRGKRZSA-N 0 3 278.312 0.745 20 5 CCBDHN O=C1NCCCC[C@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001120472762 857081696 /nfs/dbraw/zinc/08/16/96/857081696.db2.gz SJNYCXOKRXPHFP-CHWSQXEVSA-N 0 3 293.323 0.887 20 5 CCBDHN CN1CC[C@@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 ZINC001298201675 907174813 /nfs/dbraw/zinc/17/48/13/907174813.db2.gz XOSSCYKHOFTKSB-APPZFPTMSA-N 0 3 265.273 0.094 20 5 CCBDHN N[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001328525457 915252539 /nfs/dbraw/zinc/25/25/39/915252539.db2.gz RSVDULALDTZATQ-GFCCVEGCSA-N 0 3 295.343 0.815 20 5 CCBDHN CN(C)CCONC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001330819766 916894265 /nfs/dbraw/zinc/89/42/65/916894265.db2.gz NBLJDSZNXRRNDU-UHFFFAOYSA-N 0 3 297.267 0.547 20 5 CCBDHN CN(CCO)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC001333991434 919303831 /nfs/dbraw/zinc/30/38/31/919303831.db2.gz CFBMFLNBNHDWME-UHFFFAOYSA-N 0 3 280.328 0.899 20 5 CCBDHN Cc1nc(N(C)CCN(C)CCO)ncc1[N+](=O)[O-] ZINC001352065096 925517330 /nfs/dbraw/zinc/51/73/30/925517330.db2.gz PELJUAVZBCGFHK-UHFFFAOYSA-N 0 3 269.305 0.054 20 5 CCBDHN Cn1cc([C@@H]2C[C@H](NCC[N+](=O)[O-])CCO2)cn1 ZINC001357210622 926498005 /nfs/dbraw/zinc/49/80/05/926498005.db2.gz ONLVKLANHWWGQI-MNOVXSKESA-N 0 3 254.290 0.507 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1C[C@@H](O)C1 ZINC000599674004 361782155 /nfs/dbraw/zinc/78/21/55/361782155.db2.gz VTBAYQLCWABYCG-JGZJWPJOSA-N 0 3 254.290 0.494 20 5 CCBDHN CCN(CCN)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599888135 361824416 /nfs/dbraw/zinc/82/44/16/361824416.db2.gz QRERTDDOJXKPIT-UHFFFAOYSA-N 0 3 280.284 0.341 20 5 CCBDHN CC[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000490040994 529442422 /nfs/dbraw/zinc/44/24/22/529442422.db2.gz YAIWSGKIICBFHO-JTQLQIEISA-N 0 3 267.285 0.957 20 5 CCBDHN CC1(OCC(=O)Nc2cccc([N+](=O)[O-])c2)CNC1 ZINC000098060228 349651237 /nfs/dbraw/zinc/65/12/37/349651237.db2.gz JLBVNOTVDUJQKZ-UHFFFAOYSA-N 0 3 265.269 0.912 20 5 CCBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1COC[C@H]1O ZINC000601139726 362155951 /nfs/dbraw/zinc/15/59/51/362155951.db2.gz MNNPMBOMNYEQHR-HCRUJZKASA-N 0 3 264.281 0.957 20 5 CCBDHN CCN1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000120000885 349965684 /nfs/dbraw/zinc/96/56/84/349965684.db2.gz VBQXMCIOCWUZIX-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN Cn1cc(CNC2(CO)CCCC2)c([N+](=O)[O-])n1 ZINC000602793413 362803469 /nfs/dbraw/zinc/80/34/69/362803469.db2.gz APWOHOIOVXWEJV-UHFFFAOYSA-N 0 3 254.290 0.723 20 5 CCBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cnn(C)c1 ZINC000314384046 137078689 /nfs/dbraw/zinc/07/86/89/137078689.db2.gz UDOBFKVOHNETCK-SKDRFNHKSA-N 0 3 294.315 0.237 20 5 CCBDHN O=C(NCCCN1CCC(O)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000342429082 137093895 /nfs/dbraw/zinc/09/38/95/137093895.db2.gz DEDWIHDAMGHHAG-UHFFFAOYSA-N 0 3 296.327 0.500 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccn2)c1 ZINC000037881310 348215199 /nfs/dbraw/zinc/21/51/99/348215199.db2.gz SKJNBYCHAWZKPG-GFCCVEGCSA-N 0 3 277.284 0.337 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000346217902 137273029 /nfs/dbraw/zinc/27/30/29/137273029.db2.gz IXTSOJRQPHQCRI-QMMMGPOBSA-N 0 3 254.290 0.613 20 5 CCBDHN CCN1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000066050103 348731861 /nfs/dbraw/zinc/73/18/61/348731861.db2.gz NVVKXRUYQPPADE-LLVKDONJSA-N 0 3 295.343 0.782 20 5 CCBDHN Nc1nc(NCCN2CCCCC2)ncc1[N+](=O)[O-] ZINC000076921353 349093538 /nfs/dbraw/zinc/09/35/38/349093538.db2.gz QSLDSIBSTSGIDV-UHFFFAOYSA-N 0 3 266.305 0.865 20 5 CCBDHN COC1CCN(CCNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000080250289 349205773 /nfs/dbraw/zinc/20/57/73/349205773.db2.gz PGCWYYWIQOZPNO-UHFFFAOYSA-N 0 3 283.332 0.851 20 5 CCBDHN CN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000135244359 350389149 /nfs/dbraw/zinc/38/91/49/350389149.db2.gz ZCMQKLBDMCDJIN-ZDUSSCGKSA-N 0 3 292.339 0.239 20 5 CCBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000154021457 350572274 /nfs/dbraw/zinc/57/22/74/350572274.db2.gz MIMSDZIINIPTMQ-SECBINFHSA-N 0 3 279.300 0.532 20 5 CCBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N(C)C1CC1 ZINC000171106439 350886102 /nfs/dbraw/zinc/88/61/02/350886102.db2.gz ITCVIRNPOFTVMY-VIFPVBQESA-N 0 3 281.316 0.390 20 5 CCBDHN CC(C)(C)[C@H](NCCn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000174852042 351107578 /nfs/dbraw/zinc/10/75/78/351107578.db2.gz RLCGGLOYOJXVEI-SECBINFHSA-N 0 3 269.305 0.281 20 5 CCBDHN CC(C)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176205317 351160086 /nfs/dbraw/zinc/16/00/86/351160086.db2.gz QZTIGJYNGDIFTM-UHFFFAOYSA-N 0 3 267.333 0.817 20 5 CCBDHN COCCCN(CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000189875917 351706308 /nfs/dbraw/zinc/70/63/08/351706308.db2.gz YYQXVNIIWNSCRX-UHFFFAOYSA-N 0 3 299.327 0.087 20 5 CCBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000618619937 366062959 /nfs/dbraw/zinc/06/29/59/366062959.db2.gz BFWZPOOCMFSPSP-DTWKUNHWSA-N 0 3 294.311 0.775 20 5 CCBDHN C[C@@H]1CCNC(=O)[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000193626849 351837445 /nfs/dbraw/zinc/83/74/45/351837445.db2.gz DWNLMXAIYUOICV-ICCXJUOJSA-N 0 3 293.323 0.742 20 5 CCBDHN Cc1nn(C)c(N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000212804507 351930669 /nfs/dbraw/zinc/93/06/69/351930669.db2.gz KYQCCRVBDKWKQZ-UHFFFAOYSA-N 0 3 253.306 0.825 20 5 CCBDHN CO[C@H](CN)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000227373326 352048325 /nfs/dbraw/zinc/04/83/25/352048325.db2.gz VMCDZOGGBABRGJ-LLVKDONJSA-N 0 3 267.285 0.227 20 5 CCBDHN CN1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000604198329 363181692 /nfs/dbraw/zinc/18/16/92/363181692.db2.gz GQKJCTZJSRXVMA-SECBINFHSA-N 0 3 267.289 0.002 20 5 CCBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000247052909 352396889 /nfs/dbraw/zinc/39/68/89/352396889.db2.gz IJCSWQQTGNVGSY-WDEREUQCSA-N 0 3 295.343 0.636 20 5 CCBDHN CS[C@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H]1N(C)C ZINC000270410648 352930472 /nfs/dbraw/zinc/93/04/72/352930472.db2.gz XGQKKIMQUMCEGC-BDAKNGLRSA-N 0 3 285.373 0.810 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CN1C1CC1 ZINC000152975069 188057045 /nfs/dbraw/zinc/05/70/45/188057045.db2.gz BPVWWFGOUHRLPM-JGVFFNPUSA-N 0 3 279.300 0.673 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CN1C1CC1 ZINC000152975069 188057047 /nfs/dbraw/zinc/05/70/47/188057047.db2.gz BPVWWFGOUHRLPM-JGVFFNPUSA-N 0 3 279.300 0.673 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCN[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000277546621 353249686 /nfs/dbraw/zinc/24/96/86/353249686.db2.gz XXBRLMIGRAFQTQ-XPUUQOCRSA-N 0 3 267.289 0.449 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCN[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000277546621 353249690 /nfs/dbraw/zinc/24/96/90/353249690.db2.gz XXBRLMIGRAFQTQ-XPUUQOCRSA-N 0 3 267.289 0.449 20 5 CCBDHN COC(=O)[C@]1(C)CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000282735363 353448234 /nfs/dbraw/zinc/44/82/34/353448234.db2.gz MVJMBOGVEHHJQH-ZWNOBZJWSA-N 0 3 296.327 0.922 20 5 CCBDHN O=[N+]([O-])c1cnn(CCNCc2c[nH]c3nccnc23)c1 ZINC000290917769 353757771 /nfs/dbraw/zinc/75/77/71/353757771.db2.gz QEVDMQCODZXDHY-UHFFFAOYSA-N 0 3 287.283 0.852 20 5 CCBDHN Cc1cc(=O)n(C[C@H](O)CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000290736677 353746052 /nfs/dbraw/zinc/74/60/52/353746052.db2.gz GRQUVAARHCAQIU-LLVKDONJSA-N 0 3 281.312 0.520 20 5 CCBDHN COCCN1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000299256403 354003033 /nfs/dbraw/zinc/00/30/33/354003033.db2.gz UZSGLFOVGPMIQB-UHFFFAOYSA-N 0 3 283.332 0.851 20 5 CCBDHN O=[N+]([O-])c1cnc2ccc(N3CCN4CCC3CC4)nn21 ZINC000302793530 354088347 /nfs/dbraw/zinc/08/83/47/354088347.db2.gz ZVSNTOZPPWHMGI-UHFFFAOYSA-N 0 3 288.311 0.922 20 5 CCBDHN CC[C@@H](CO)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000304478700 354117512 /nfs/dbraw/zinc/11/75/12/354117512.db2.gz AJILLXOZKKFSAK-LBPRGKRZSA-N 0 3 297.359 0.180 20 5 CCBDHN CCN(C)CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000330543380 354402906 /nfs/dbraw/zinc/40/29/06/354402906.db2.gz JGPHXBHWCTWUFE-UHFFFAOYSA-N 0 3 255.278 0.010 20 5 CCBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000619254234 366224148 /nfs/dbraw/zinc/22/41/48/366224148.db2.gz KEASWJMTUGOCNO-ZDUSSCGKSA-N 0 3 297.311 0.717 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423618360 235020746 /nfs/dbraw/zinc/02/07/46/235020746.db2.gz UIXGNMHILAMPDT-NKWVEPMBSA-N 0 3 253.262 0.140 20 5 CCBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000341627055 355707170 /nfs/dbraw/zinc/70/71/70/355707170.db2.gz ZWZRPGWUXDUPSM-UHFFFAOYSA-N 0 3 281.312 0.867 20 5 CCBDHN CO[C@@H](CN)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000352941520 356115453 /nfs/dbraw/zinc/11/54/53/356115453.db2.gz ICPOCKFXSNUYMF-LBPRGKRZSA-N 0 3 279.296 0.453 20 5 CCBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000619578188 366289597 /nfs/dbraw/zinc/28/95/97/366289597.db2.gz CJYBTZYWDGUWQV-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(CC2CC2)CC1 ZINC000610476263 363563931 /nfs/dbraw/zinc/56/39/31/363563931.db2.gz UAQAEGJQYBUGFQ-UHFFFAOYSA-N 0 3 279.344 0.856 20 5 CCBDHN CN(C)[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000359966229 356929181 /nfs/dbraw/zinc/92/91/81/356929181.db2.gz LQVYGYOQPKXLHB-GHMZBOCLSA-N 0 3 269.276 0.845 20 5 CCBDHN C[C@@H](O)[C@@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570093376 358822530 /nfs/dbraw/zinc/82/25/30/358822530.db2.gz MAAWZOYGYIOAIZ-MWLCHTKSSA-N 0 3 297.311 0.255 20 5 CCBDHN Cc1n[nH]c(C(=O)NCCN2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000570615524 358875023 /nfs/dbraw/zinc/87/50/23/358875023.db2.gz VINLPAUYFVJOEN-MRVPVSSYSA-N 0 3 281.316 0.698 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000588864200 359343234 /nfs/dbraw/zinc/34/32/34/359343234.db2.gz ADTKMTOMBSCATH-GFCCVEGCSA-N 0 3 295.339 0.566 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000588864225 359343569 /nfs/dbraw/zinc/34/35/69/359343569.db2.gz AHQXBEOUEVPKHB-JTQLQIEISA-N 0 3 267.285 0.247 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000590442928 359465956 /nfs/dbraw/zinc/46/59/56/359465956.db2.gz IEWQBQZYHNSMNI-UWVGGRQHSA-N 0 3 293.327 0.587 20 5 CCBDHN CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000590702200 359509290 /nfs/dbraw/zinc/50/92/90/359509290.db2.gz UMIOCKMPSYKMRU-NEPJUHHUSA-N 0 3 278.312 0.899 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000592244608 359804426 /nfs/dbraw/zinc/80/44/26/359804426.db2.gz DRMAAWAWNYILBY-LLVKDONJSA-N 0 3 295.343 0.556 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@@H]1C(F)F ZINC000592488398 359854257 /nfs/dbraw/zinc/85/42/57/359854257.db2.gz DRBBSCJCODBWCC-SSDOTTSWSA-N 0 3 275.259 0.367 20 5 CCBDHN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595114344 360438177 /nfs/dbraw/zinc/43/81/77/360438177.db2.gz WWKYXZFUISITSD-YUMQZZPRSA-N 0 3 288.329 0.394 20 5 CCBDHN O=[N+]([O-])c1cnn(CCNCc2cnn3c2CCC3)c1 ZINC000594931012 360419056 /nfs/dbraw/zinc/41/90/56/360419056.db2.gz KBAGIFNKVFQUHH-UHFFFAOYSA-N 0 3 276.300 0.724 20 5 CCBDHN CCn1nccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596069433 360787405 /nfs/dbraw/zinc/78/74/05/360787405.db2.gz HBCVPYFGHYTDTG-GFCCVEGCSA-N 0 3 294.315 0.158 20 5 CCBDHN O=c1[n-]ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000596083203 360790425 /nfs/dbraw/zinc/79/04/25/360790425.db2.gz PYDDEZNOZHBPGS-HTQZYQBOSA-N 0 3 250.258 0.351 20 5 CCBDHN COCCN1CC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596119325 360801499 /nfs/dbraw/zinc/80/14/99/360801499.db2.gz CFALMFDSUIEQDY-SECBINFHSA-N 0 3 282.300 0.828 20 5 CCBDHN C[NH+](C)C[C@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596172113 360821024 /nfs/dbraw/zinc/82/10/24/360821024.db2.gz KPGUUCNERHSNHC-LLVKDONJSA-N 0 3 270.289 0.420 20 5 CCBDHN CN(C)C[C@H](CO)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000596240924 360848786 /nfs/dbraw/zinc/84/87/86/360848786.db2.gz BYBJCMNLBHHDHB-SNVBAGLBSA-N 0 3 290.323 0.899 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596243987 360850348 /nfs/dbraw/zinc/85/03/48/360850348.db2.gz NHJMLWWQGIQPAL-VIFPVBQESA-N 0 3 291.311 0.872 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](CO)CN(C)C ZINC000596245059 360850590 /nfs/dbraw/zinc/85/05/90/360850590.db2.gz WJEAIJWMASRGGZ-VIFPVBQESA-N 0 3 271.321 0.454 20 5 CCBDHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000596580587 360924446 /nfs/dbraw/zinc/92/44/46/360924446.db2.gz OSFOQYQNURTEPI-UHFFFAOYSA-N 0 3 295.270 0.548 20 5 CCBDHN CC(C)(C)N1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000597923114 361283566 /nfs/dbraw/zinc/28/35/66/361283566.db2.gz LKPGWZHMCVBAGI-QMMMGPOBSA-N 0 3 281.316 0.921 20 5 CCBDHN CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597944981 361288574 /nfs/dbraw/zinc/28/85/74/361288574.db2.gz FTOKYKAJGZVOJH-VIFPVBQESA-N 0 3 281.316 0.793 20 5 CCBDHN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597944981 361288577 /nfs/dbraw/zinc/28/85/77/361288577.db2.gz FTOKYKAJGZVOJH-VIFPVBQESA-N 0 3 281.316 0.793 20 5 CCBDHN CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C)C1 ZINC000597946605 361288854 /nfs/dbraw/zinc/28/88/54/361288854.db2.gz QLRGJZHIQNUQLI-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598042811 361322526 /nfs/dbraw/zinc/32/25/26/361322526.db2.gz YMBOTFZNPNKHIV-SNVBAGLBSA-N 0 3 295.343 0.885 20 5 CCBDHN CCCN1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000598341467 361391216 /nfs/dbraw/zinc/39/12/16/361391216.db2.gz CDHOEEVZOLVYAY-NSHDSACASA-N 0 3 295.343 0.782 20 5 CCBDHN CC[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598532402 361440557 /nfs/dbraw/zinc/44/05/57/361440557.db2.gz WVVWIGVNQNIGJQ-DTWKUNHWSA-N 0 3 281.316 0.541 20 5 CCBDHN CCN(CCO)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000183970798 189373735 /nfs/dbraw/zinc/37/37/35/189373735.db2.gz QSPLGBJIJIWEPT-UHFFFAOYSA-N 0 3 287.341 0.700 20 5 CCBDHN CN1CCN(CC2CN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000599098910 361573267 /nfs/dbraw/zinc/57/32/67/361573267.db2.gz CXCZRGLJDCWNTO-UHFFFAOYSA-N 0 3 291.355 0.673 20 5 CCBDHN CCN(CCO)CCNCc1ccccc1[N+](=O)[O-] ZINC000184546578 189388755 /nfs/dbraw/zinc/38/87/55/189388755.db2.gz WKHNKIXUGBOAOS-UHFFFAOYSA-N 0 3 267.329 0.999 20 5 CCBDHN CC(C)O[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000564916493 291315248 /nfs/dbraw/zinc/31/52/48/291315248.db2.gz XQUPCSXWGIHIAT-QWHCGFSZSA-N 0 3 298.343 0.652 20 5 CCBDHN CC(C)Oc1nc(NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000565157148 291348947 /nfs/dbraw/zinc/34/89/47/291348947.db2.gz LZWNXGRWKJOSHR-SNVBAGLBSA-N 0 3 296.327 0.599 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@@H]2CNCCC2(F)F)c1[N+](=O)[O-] ZINC000568984507 291638909 /nfs/dbraw/zinc/63/89/09/291638909.db2.gz MMRZGVYNGDRBDA-ZCFIWIBFSA-N 0 3 289.242 0.353 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000262727363 190062061 /nfs/dbraw/zinc/06/20/61/190062061.db2.gz AQLBTNWASHRJHM-DTWKUNHWSA-N 0 3 267.289 0.000 20 5 CCBDHN CN1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000264153482 190093459 /nfs/dbraw/zinc/09/34/59/190093459.db2.gz QVEQSBPSKVGNPE-MRVPVSSYSA-N 0 3 279.300 0.452 20 5 CCBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000265552568 190189891 /nfs/dbraw/zinc/18/98/91/190189891.db2.gz TWWZLVWPMZGYAS-MRVPVSSYSA-N 0 3 281.316 0.562 20 5 CCBDHN O=C1C[C@]2(CCN(CCn3ccc([N+](=O)[O-])n3)C2)CN1 ZINC000278765840 194145657 /nfs/dbraw/zinc/14/56/57/194145657.db2.gz BYMVFZISETUYLZ-GFCCVEGCSA-N 0 3 279.300 0.003 20 5 CCBDHN COCCCN(CCOC)CCn1cc([N+](=O)[O-])cn1 ZINC000266891705 190287899 /nfs/dbraw/zinc/28/78/99/190287899.db2.gz DZDOBDWNKFPUPF-UHFFFAOYSA-N 0 3 286.332 0.776 20 5 CCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000267691836 190347733 /nfs/dbraw/zinc/34/77/33/190347733.db2.gz QXKYVJCYOYDZLA-IUCAKERBSA-N 0 3 280.332 0.743 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1O ZINC000249573404 285128026 /nfs/dbraw/zinc/12/80/26/285128026.db2.gz OXHHAXNPQOXBQX-NXEZZACHSA-N 0 3 254.290 0.494 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](CO)C1 ZINC000248449172 285165131 /nfs/dbraw/zinc/16/51/31/285165131.db2.gz ICKQLJGFLFHOAS-VXGBXAGGSA-N 0 3 296.323 0.649 20 5 CCBDHN COCCOCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000288786264 197165454 /nfs/dbraw/zinc/16/54/54/197165454.db2.gz JUOAWIYEOWMAFL-UHFFFAOYSA-N 0 3 272.305 0.386 20 5 CCBDHN CC1(C)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCN1 ZINC000396035271 285230533 /nfs/dbraw/zinc/23/05/33/285230533.db2.gz XOHNTCIEIWVMKX-UHFFFAOYSA-N 0 3 279.300 0.277 20 5 CCBDHN NC(=O)c1cc([N+](=O)[O-])cn(CCN2CCCCC2)c1=O ZINC000298489078 389024222 /nfs/dbraw/zinc/02/42/22/389024222.db2.gz CJVMHWUWLBIWOF-UHFFFAOYSA-N 0 3 294.311 0.341 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@H](CN(C)C)C1 ZINC000192573617 389044731 /nfs/dbraw/zinc/04/47/31/389044731.db2.gz LCZOKZBOMOVEEW-LLVKDONJSA-N 0 3 297.359 0.886 20 5 CCBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357057285 389130835 /nfs/dbraw/zinc/13/08/35/389130835.db2.gz PMFAKFDMYHOXLO-VHSXEESVSA-N 0 3 295.343 0.741 20 5 CCBDHN CNC(=O)c1ccc(N2CCN[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000122801856 389153314 /nfs/dbraw/zinc/15/33/14/389153314.db2.gz NGGCLTAVQSOQRE-VIFPVBQESA-N 0 3 278.312 0.753 20 5 CCBDHN O=C1C[C@]2(CN1)CCCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000342358508 389214652 /nfs/dbraw/zinc/21/46/52/389214652.db2.gz HCLMDJNXRQUIDY-ZDUSSCGKSA-N 0 3 293.327 0.393 20 5 CCBDHN CN(Cc1c([N+](=O)[O-])ncn1C)C[C@@H]1CCCN1C ZINC000420995460 389344016 /nfs/dbraw/zinc/34/40/16/389344016.db2.gz DRIUASQYBOFSGI-JTQLQIEISA-N 0 3 267.333 0.854 20 5 CCBDHN CC1(C)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1 ZINC000175428509 389541551 /nfs/dbraw/zinc/54/15/51/389541551.db2.gz XKERJLZFGBMGCH-UHFFFAOYSA-N 0 3 267.289 0.002 20 5 CCBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C)CN1 ZINC000423499969 389595440 /nfs/dbraw/zinc/59/54/40/389595440.db2.gz JXYLMRSFQQISEW-RNFRBKRXSA-N 0 3 253.262 0.140 20 5 CCBDHN CN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CNC1 ZINC000415742452 389701044 /nfs/dbraw/zinc/70/10/44/389701044.db2.gz LFUXSPJIJIBNGE-UHFFFAOYSA-N 0 3 296.258 0.103 20 5 CCBDHN COC1CC(N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000352193933 389768928 /nfs/dbraw/zinc/76/89/28/389768928.db2.gz GMKSEKOSDBQKSU-UHFFFAOYSA-N 0 3 281.312 0.866 20 5 CCBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1C ZINC000408056543 389823236 /nfs/dbraw/zinc/82/32/36/389823236.db2.gz ISHJNHRVNSIONX-ZJUUUORDSA-N 0 3 295.343 0.883 20 5 CCBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420472260 390008846 /nfs/dbraw/zinc/00/88/46/390008846.db2.gz SCSBGIVEZUAMSK-ZCFIWIBFSA-N 0 3 279.343 0.672 20 5 CCBDHN CCN(CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])C1CC1 ZINC000540543430 390220943 /nfs/dbraw/zinc/22/09/43/390220943.db2.gz BSIUZLOKFGGICX-UHFFFAOYSA-N 0 3 293.327 0.616 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2C[C@@H](O)C2)c1 ZINC000573001024 390819047 /nfs/dbraw/zinc/81/90/47/390819047.db2.gz ABMAHYUYNIEAJR-ADEWGFFLSA-N 0 3 282.296 0.447 20 5 CCBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356457635 144004646 /nfs/dbraw/zinc/00/46/46/144004646.db2.gz JWMDFZMVCRRHIL-UHFFFAOYSA-N 0 3 283.332 0.742 20 5 CCBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)CN1 ZINC000368179050 144210310 /nfs/dbraw/zinc/21/03/10/144210310.db2.gz LZYDSOMRHAPEQK-UWVGGRQHSA-N 0 3 296.302 0.823 20 5 CCBDHN CN(C(=O)c1ccnc(N)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000547751620 285972604 /nfs/dbraw/zinc/97/26/04/285972604.db2.gz GKGKEFLTRMKWJK-UHFFFAOYSA-N 0 3 293.327 0.569 20 5 CCBDHN C[C@@H]1C[C@H](C)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000548096360 286004940 /nfs/dbraw/zinc/00/49/40/286004940.db2.gz MQERFXTZIGTJHM-WCABBAIRSA-N 0 3 254.290 0.635 20 5 CCBDHN [NH3+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000020552094 171247460 /nfs/dbraw/zinc/24/74/60/171247460.db2.gz IDKHJZCZCGAHAS-UHFFFAOYSA-N 0 3 279.705 0.485 20 5 CCBDHN CO[C@H]1C[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000285496252 196305181 /nfs/dbraw/zinc/30/51/81/196305181.db2.gz XEIPFKJVGRYKTH-AOOOYVTPSA-N 0 3 254.290 0.901 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CN1C1CC1 ZINC000356728139 274391317 /nfs/dbraw/zinc/39/13/17/274391317.db2.gz JPXBMFHQGQGYFG-RKDXNWHRSA-N 0 3 293.327 0.683 20 5 CCBDHN CNC(=O)[C@H](C)CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551594 277247895 /nfs/dbraw/zinc/24/78/95/277247895.db2.gz ZNAQTQWVERSOCL-SNVBAGLBSA-N 0 3 296.327 0.070 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000086467732 278843536 /nfs/dbraw/zinc/84/35/36/278843536.db2.gz DBBYYYIPDXXTQE-JGVFFNPUSA-N 0 3 252.274 0.745 20 5 CCBDHN NC(=O)C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176288206 295054669 /nfs/dbraw/zinc/05/46/69/295054669.db2.gz ZFYPMMCGKCCFPE-JTQLQIEISA-N 0 3 281.316 0.379 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN[C@H](C)[C@@H]2C)n1 ZINC000583565700 328616224 /nfs/dbraw/zinc/61/62/24/328616224.db2.gz JPQGCJISWSEWBC-BDAKNGLRSA-N 0 3 281.316 0.634 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)[C@@H](C)[NH3+] ZINC000381489949 336066591 /nfs/dbraw/zinc/06/65/91/336066591.db2.gz PWOCTJYFMFUHQT-RKDXNWHRSA-N 0 3 287.341 0.917 20 5 CCBDHN CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])n[n-]2)CC1 ZINC000354687944 520873535 /nfs/dbraw/zinc/87/35/35/520873535.db2.gz FPUFIWANKVRZBO-UHFFFAOYSA-N 0 3 279.300 0.700 20 5 CCBDHN CC1=CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])n[n-]2)CC1 ZINC000354687944 520873541 /nfs/dbraw/zinc/87/35/41/520873541.db2.gz FPUFIWANKVRZBO-UHFFFAOYSA-N 0 3 279.300 0.700 20 5 CCBDHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000361591760 528611681 /nfs/dbraw/zinc/61/16/81/528611681.db2.gz QVMSCDXZMUJZPT-SNVBAGLBSA-N 0 3 254.290 0.902 20 5 CCBDHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCOC1 ZINC000361593723 528611821 /nfs/dbraw/zinc/61/18/21/528611821.db2.gz GXTIDQVEHZCIKH-JTQLQIEISA-N 0 3 254.290 0.902 20 5 CCBDHN CC(C)N1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)[C@@H](C)C1 ZINC000356739912 535265432 /nfs/dbraw/zinc/26/54/32/535265432.db2.gz GZQSXRQNXGDZSE-UWVGGRQHSA-N 0 3 295.343 0.787 20 5 CCBDHN CCc1n[nH]c(C(=O)NCCN2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000515121544 536004070 /nfs/dbraw/zinc/00/40/70/536004070.db2.gz OOKXLMRHWGJSPA-SECBINFHSA-N 0 3 295.343 0.952 20 5 CCBDHN C[C@H](NC[C@@H](O)CN(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595410 581117838 /nfs/dbraw/zinc/11/78/38/581117838.db2.gz SXHGBNBMHLXHNN-GXSJLCMTSA-N 0 3 282.344 0.750 20 5 CCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000752883886 581520354 /nfs/dbraw/zinc/52/03/54/581520354.db2.gz RFAXTONXMBRMDY-QMMMGPOBSA-N 0 3 299.308 0.502 20 5 CCBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000747229942 581935553 /nfs/dbraw/zinc/93/55/53/581935553.db2.gz NKWJSWRYMRRTAO-NXEZZACHSA-N 0 3 294.311 0.516 20 5 CCBDHN CC(=O)NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749644178 582016312 /nfs/dbraw/zinc/01/63/12/582016312.db2.gz CYYFFOQGMTUYHO-LBPRGKRZSA-N 0 3 267.285 0.354 20 5 CCBDHN CC(C)(CCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)[N+](=O)[O-] ZINC000861718460 614081237 /nfs/dbraw/zinc/08/12/37/614081237.db2.gz XEDHHTKSOLAGEW-NEPJUHHUSA-N 0 3 299.371 0.489 20 5 CCBDHN CC[C@H](CO)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000916570460 615737122 /nfs/dbraw/zinc/73/71/22/615737122.db2.gz FDAZMUCHZYHQRD-SECBINFHSA-N 0 3 297.311 0.902 20 5 CCBDHN CC[C@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000916570688 615737168 /nfs/dbraw/zinc/73/71/68/615737168.db2.gz NZLGOQRYHXCJOK-SECBINFHSA-N 0 3 297.311 0.902 20 5 CCBDHN CN1CCC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819133434 616208284 /nfs/dbraw/zinc/20/82/84/616208284.db2.gz NELIBDUUFPICNG-STQMWFEESA-N 0 3 293.323 0.839 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1NCCCCN1CCN(C)CC1 ZINC000891800535 616240745 /nfs/dbraw/zinc/24/07/45/616240745.db2.gz ZWVLYDBKCFMSKF-UHFFFAOYSA-N 0 3 296.375 0.768 20 5 CCBDHN COC(=O)[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@@H]1C ZINC000878493043 616663550 /nfs/dbraw/zinc/66/35/50/616663550.db2.gz VSWXKFXUGCKMIJ-KOLCDFICSA-N 0 3 296.327 0.983 20 5 CCBDHN COCCCn1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000860776519 616935471 /nfs/dbraw/zinc/93/54/71/616935471.db2.gz FSJQLUOJAMJQIR-VIFPVBQESA-N 0 3 271.273 0.742 20 5 CCBDHN COCC[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000052808640 623064177 /nfs/dbraw/zinc/06/41/77/623064177.db2.gz WRKNFOJDHWXYGP-LLVKDONJSA-N 0 3 281.312 0.917 20 5 CCBDHN CC(COC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)[N+](=O)[O-] ZINC000813103326 624647846 /nfs/dbraw/zinc/64/78/46/624647846.db2.gz OIIAAXDERVSJDX-IWSPIJDZSA-N 0 3 258.274 0.487 20 5 CCBDHN CC(COC(=O)c1ccc(CNC(N)=O)cc1)[N+](=O)[O-] ZINC000813104589 624649362 /nfs/dbraw/zinc/64/93/62/624649362.db2.gz FAQIBBKFRKXSFM-QMMMGPOBSA-N 0 3 281.268 0.677 20 5 CCBDHN O=[N+]([O-])c1cccc2c1CCN(C[C@H]1CNCCO1)C2 ZINC000903882336 634676842 /nfs/dbraw/zinc/67/68/42/634676842.db2.gz LYTKFOBVAZASEB-GFCCVEGCSA-N 0 3 277.324 0.941 20 5 CCBDHN O=[N+]([O-])CCNCCN1CCN(c2ccc(F)cc2)CC1 ZINC000905037356 634780867 /nfs/dbraw/zinc/78/08/67/634780867.db2.gz XGQJGTMDUWTMEG-UHFFFAOYSA-N 0 3 296.346 0.814 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCN1C1CCOCC1 ZINC000896525778 632265764 /nfs/dbraw/zinc/26/57/64/632265764.db2.gz OTYZQSGEJYOGDC-LLVKDONJSA-N 0 3 295.343 0.994 20 5 CCBDHN O=[N+]([O-])CCNC[C@@H]1CCC2(CCOCC2)CO1 ZINC000905425250 634863776 /nfs/dbraw/zinc/86/37/76/634863776.db2.gz OQHUPWBKARZGRT-NSHDSACASA-N 0 3 258.318 0.829 20 5 CCBDHN C[C@@H](C(=O)NCCN(C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000899738116 633882137 /nfs/dbraw/zinc/88/21/37/633882137.db2.gz RZLAHZQBABPBIC-LLVKDONJSA-N 0 3 295.339 0.739 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)CCO)c1 ZINC000912606307 636617577 /nfs/dbraw/zinc/61/75/77/636617577.db2.gz NVOJYQPXAUNFIT-UHFFFAOYSA-N 0 3 295.339 0.899 20 5 CCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C2CCC2)CC1 ZINC000839683276 640355103 /nfs/dbraw/zinc/35/51/03/640355103.db2.gz FTJHLEJWCLWGFP-GHMZBOCLSA-N 0 3 253.302 0.348 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N(C2CC2)C1)[N+](=O)[O-] ZINC000813108711 641023239 /nfs/dbraw/zinc/02/32/39/641023239.db2.gz KVXKGJJUSCETCC-JGVFFNPUSA-N 0 3 256.258 0.206 20 5 CCBDHN CC(COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N+](=O)[O-] ZINC000813108839 641023670 /nfs/dbraw/zinc/02/36/70/641023670.db2.gz MBDFICUOFJOSJT-BBBLOLIVSA-N 0 3 298.295 0.370 20 5 CCBDHN CC(COC(=O)c1ccc(C(N)=O)cc1)[N+](=O)[O-] ZINC000813111012 641024315 /nfs/dbraw/zinc/02/43/15/641024315.db2.gz AGPUISRDGUJHFJ-SSDOTTSWSA-N 0 3 252.226 0.608 20 5 CCBDHN CC(COC(=O)CO[C@@H](C)c1nccn1C)[N+](=O)[O-] ZINC000813115370 641024618 /nfs/dbraw/zinc/02/46/18/641024618.db2.gz QDWOQRNZFCQMGZ-BDAKNGLRSA-N 0 3 271.273 0.706 20 5 CCBDHN CC(COC(=O)[C@@H](C)NC(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813110792 641024644 /nfs/dbraw/zinc/02/46/44/641024644.db2.gz JPLBIJQLUFPERE-JGVFFNPUSA-N 0 3 260.290 0.746 20 5 CCBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)c2ccc(F)cn2)c1 ZINC000819177425 641386761 /nfs/dbraw/zinc/38/67/61/641386761.db2.gz SWHURHNJCIOMKK-GFCCVEGCSA-N 0 3 295.274 0.649 20 5 CCBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC2COCCOC2)c1 ZINC000819326178 641401267 /nfs/dbraw/zinc/40/12/67/641401267.db2.gz LNCSQHRAJVUMAP-ZDUSSCGKSA-N 0 3 282.296 0.633 20 5 CCBDHN Cc1nccn1C[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842321617 642891267 /nfs/dbraw/zinc/89/12/67/642891267.db2.gz YLFZXRJLOZMLML-SZEHBUNVSA-N 0 3 253.258 0.788 20 5 CCBDHN CC(COC(=O)CN1CCN(C2CC2)C1=O)[N+](=O)[O-] ZINC000851036719 643828742 /nfs/dbraw/zinc/82/87/42/643828742.db2.gz LNTLZJKDAIFTHT-MRVPVSSYSA-N 0 3 271.273 0.095 20 5 CCBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)c2nonc21 ZINC000858811571 644650807 /nfs/dbraw/zinc/65/08/07/644650807.db2.gz DSMAZLGGAAXPBR-MRVPVSSYSA-N 0 3 293.283 0.610 20 5 CCBDHN CC(COC(=O)c1cncc(N2CCCC2)n1)[N+](=O)[O-] ZINC000870376447 645988002 /nfs/dbraw/zinc/98/80/02/645988002.db2.gz JRSOGLMFZONLTO-SECBINFHSA-N 0 3 280.284 0.899 20 5 CCBDHN C[C@@H](O)[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177493 649055590 /nfs/dbraw/zinc/05/55/90/649055590.db2.gz ADRCDAZXSSDTLQ-KBVBSXBZSA-N 0 3 254.286 0.987 20 5 CCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2occ([O-])c2c1 ZINC001233678651 806104918 /nfs/dbraw/zinc/10/49/18/806104918.db2.gz WKJUJPUAUGSSIR-SNVBAGLBSA-N 0 3 294.327 0.624 20 5 CCBDHN CC(C)CN1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001121391815 799040887 /nfs/dbraw/zinc/04/08/87/799040887.db2.gz LTJQCXKTXFLCRO-UHFFFAOYSA-N 0 3 282.348 0.370 20 5 CCBDHN O=C(N[C@H]1COC2(CNC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001122064089 799133459 /nfs/dbraw/zinc/13/34/59/799133459.db2.gz SIDXYNVIYQLYNV-SNVBAGLBSA-N 0 3 295.270 0.595 20 5 CCBDHN CCOC(=O)c1ccnc(-n2nccc2CN)c1[N+](=O)[O-] ZINC001155130130 800914991 /nfs/dbraw/zinc/91/49/91/800914991.db2.gz AMRRKXLCLGAWQX-UHFFFAOYSA-N 0 3 291.267 0.811 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2nccc2CN)n1 ZINC001155130237 800915428 /nfs/dbraw/zinc/91/54/28/800915428.db2.gz GZXNRDNMTBFVGE-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN COc1ncnc(-n2nc(CN)cc2C)c1[N+](=O)[O-] ZINC001156039411 801099723 /nfs/dbraw/zinc/09/97/23/801099723.db2.gz QDNHISQPNUSMSH-UHFFFAOYSA-N 0 3 264.245 0.346 20 5 CCBDHN CN1CCN(C(=N)Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC001157915178 801520383 /nfs/dbraw/zinc/52/03/83/801520383.db2.gz SZVIUJCLJAFCEO-UHFFFAOYSA-N 0 3 282.279 0.723 20 5 CCBDHN CC[C@]([NH3+])(CO)[N-]c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159743414 801858352 /nfs/dbraw/zinc/85/83/52/801858352.db2.gz FMDVMUQKYVGSKY-SECBINFHSA-N 0 3 271.233 0.367 20 5 CCBDHN COc1ncnc(Nc2ccc(CN)nc2)c1[N+](=O)[O-] ZINC001160401857 801935612 /nfs/dbraw/zinc/93/56/12/801935612.db2.gz DNQFDNFUHRVGDT-UHFFFAOYSA-N 0 3 276.256 0.991 20 5 CCBDHN COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1cnc(CN)c1 ZINC001162301739 802307782 /nfs/dbraw/zinc/30/77/82/802307782.db2.gz CSEVAKQVYDMZPA-UHFFFAOYSA-N 0 3 291.267 0.729 20 5 CCBDHN COc1nc(C)c(-n2cnc(CN)c2)cc1[N+](=O)[O-] ZINC001162304029 802309685 /nfs/dbraw/zinc/30/96/85/802309685.db2.gz FHPAGTFSIWUEHX-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cnc2c1CNCC2 ZINC001164316827 802720331 /nfs/dbraw/zinc/72/03/31/802720331.db2.gz PSLZCNFCJGZZCB-UHFFFAOYSA-N 0 3 275.268 0.368 20 5 CCBDHN CN(CCN1CCCC1)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001165139316 802786773 /nfs/dbraw/zinc/78/67/73/802786773.db2.gz GMTITHGZJJESBM-UHFFFAOYSA-N 0 3 266.301 0.760 20 5 CCBDHN Cc1nc(-n2ncc3c2CCNC3)ncc1[N+](=O)[O-] ZINC001165223309 802799397 /nfs/dbraw/zinc/79/93/97/802799397.db2.gz ONUDKAZKQZGMBY-UHFFFAOYSA-N 0 3 260.257 0.525 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC001215997963 803831944 /nfs/dbraw/zinc/83/19/44/803831944.db2.gz OOQFHUDVNBOMPF-BDAKNGLRSA-N 0 3 279.300 0.626 20 5 CCBDHN CN1CC[C@H](N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001254580762 808262299 /nfs/dbraw/zinc/26/22/99/808262299.db2.gz FPAHGPOEHLHBMM-YPMHNXCESA-N 0 3 275.308 0.882 20 5 CCBDHN CC[C@@](N)(CO)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580923 808263227 /nfs/dbraw/zinc/26/32/27/808263227.db2.gz IACOVFMWUNRCKV-AAEUAGOBSA-N 0 3 265.313 0.709 20 5 CCBDHN CC(C)(O)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126476348 813856676 /nfs/dbraw/zinc/85/66/76/813856676.db2.gz BBCGVDGWHXNHNJ-UHFFFAOYSA-N 0 3 295.339 0.962 20 5 CCBDHN NCc1cn(-c2cc([N+](=O)[O-])c3nccn3c2)cn1 ZINC001162301693 818782228 /nfs/dbraw/zinc/78/22/28/818782228.db2.gz AGUWNHSYRLTQOL-UHFFFAOYSA-N 0 3 258.241 0.887 20 5 CCBDHN NCc1ccnn1-c1cc([N+](=O)[O-])c2nccn2c1 ZINC001162593862 819319009 /nfs/dbraw/zinc/31/90/09/819319009.db2.gz SRNHDXLVKDLQCK-UHFFFAOYSA-N 0 3 258.241 0.887 20 5 CCBDHN COc1nc(N2CC(C)(N(C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001165118814 821014918 /nfs/dbraw/zinc/01/49/18/821014918.db2.gz ZDENMVKTXDGOKR-UHFFFAOYSA-N 0 3 297.315 0.542 20 5 CCBDHN O=C(NC[C@H]1C[C@H](NCc2ccon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363226 822224920 /nfs/dbraw/zinc/22/49/20/822224920.db2.gz IKHCBQYFNHMKRB-HJQYOEGKSA-N 0 3 294.311 0.324 20 5 CCBDHN COc1cc([N+](=O)[O-])c(-n2nncc2CN)cc1F ZINC001169309625 836208882 /nfs/dbraw/zinc/20/88/82/836208882.db2.gz FVNOECUWSGZFRS-UHFFFAOYSA-N 0 3 267.220 0.782 20 5 CCBDHN COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1nncc1CN ZINC001169311403 836212155 /nfs/dbraw/zinc/21/21/55/836212155.db2.gz VGHWTNPPGHIMQQ-UHFFFAOYSA-N 0 3 292.255 0.124 20 5 CCBDHN CNC(=O)[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169986704 836640551 /nfs/dbraw/zinc/64/05/51/836640551.db2.gz VGCNNDMABOCLDN-ZETCQYMHSA-N 0 3 264.285 0.744 20 5 CCBDHN COc1ccc(C[C@H](C)N(C)C[C@H](O)CO)c([N+](=O)[O-])c1 ZINC001170334811 837305585 /nfs/dbraw/zinc/30/55/85/837305585.db2.gz JBYIDPSLELHASG-JQWIXIFHSA-N 0 3 298.339 0.819 20 5 CCBDHN COc1nc(N[C@H](C)[C@@H]2CNCCO2)nc(C)c1[N+](=O)[O-] ZINC001170562315 838106755 /nfs/dbraw/zinc/10/67/55/838106755.db2.gz IFKXEMCMAXBTJL-APPZFPTMSA-N 0 3 297.315 0.491 20 5 CCBDHN COc1ncc([N+](=O)[O-])cc1N[C@@H](C)[C@H]1CNCCO1 ZINC001170565713 838119877 /nfs/dbraw/zinc/11/98/77/838119877.db2.gz DCWOOWNVZPEYOK-GZMMTYOYSA-N 0 3 282.300 0.787 20 5 CCBDHN CNc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1CNCCO1 ZINC001170566733 838128270 /nfs/dbraw/zinc/12/82/70/838128270.db2.gz AZEUONPWJNFYRR-LDYMZIIASA-N 0 3 281.316 0.820 20 5 CCBDHN CC(COC(=O)CCOC[C@H]1CCCO1)[N+](=O)[O-] ZINC000813100037 838675816 /nfs/dbraw/zinc/67/58/16/838675816.db2.gz KNGAJMJTHHOKIB-VHSXEESVSA-N 0 3 261.274 0.781 20 5 CCBDHN CC(COC(=O)c1ccnc2c1ncn2C)[N+](=O)[O-] ZINC000813102027 838676266 /nfs/dbraw/zinc/67/62/66/838676266.db2.gz NGDZCZYUBOUDAL-ZETCQYMHSA-N 0 3 264.241 0.790 20 5 CCBDHN NC(=O)[C@@H](CO)N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913062 841989032 /nfs/dbraw/zinc/98/90/32/841989032.db2.gz TTWOODJTMKVARM-WCQYABFASA-N 0 3 293.323 0.278 20 5 CCBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC2CC2)C1 ZINC001042704948 850740602 /nfs/dbraw/zinc/74/06/02/850740602.db2.gz CUMJXOQMRSLOQZ-GHMZBOCLSA-N 0 3 253.302 0.204 20 5 CCBDHN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC001116518696 855782971 /nfs/dbraw/zinc/78/29/71/855782971.db2.gz AFKAVYICFLIIES-SECBINFHSA-N 0 3 293.327 0.709 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2C3CCC2(CO)CC3)c1 ZINC001119922080 856923816 /nfs/dbraw/zinc/92/38/16/856923816.db2.gz JNQHOFOCHGJGOS-UHFFFAOYSA-N 0 3 266.301 0.781 20 5 CCBDHN Cc1nn(CCC(=O)NOCCN(C)C)c(C)c1[N+](=O)[O-] ZINC001328383789 915156969 /nfs/dbraw/zinc/15/69/69/915156969.db2.gz XJJLUWFNJWVWSZ-UHFFFAOYSA-N 0 3 299.331 0.408 20 5 CCBDHN CC1(C)[C@H](NCC[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC001335470208 920219831 /nfs/dbraw/zinc/21/98/31/920219831.db2.gz UACUYWITOSGFPA-GHMZBOCLSA-N 0 3 257.334 0.352 20 5 CCBDHN NC(=O)NC(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001335883205 920495456 /nfs/dbraw/zinc/49/54/56/920495456.db2.gz XTFFIONDXPMIPZ-UHFFFAOYSA-N 0 3 266.257 0.269 20 5 CCBDHN O=C(N[C@H]1COC2(CNC2)C1)c1ccc([N+](=O)[O-])s1 ZINC001340613815 922142800 /nfs/dbraw/zinc/14/28/00/922142800.db2.gz GTLPSZQNDZMWNH-SSDOTTSWSA-N 0 3 283.309 0.517 20 5 CCBDHN CCc1nn(C)c(N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001472888137 926184101 /nfs/dbraw/zinc/18/41/01/926184101.db2.gz CWBWSEYLLGCBSD-VIFPVBQESA-N 0 3 295.343 0.458 20 5 CCBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1C[NH2+]C1 ZINC000090289337 349435482 /nfs/dbraw/zinc/43/54/82/349435482.db2.gz VXSFQPQEKFHTPK-UHFFFAOYSA-N 0 3 291.716 0.498 20 5 CCBDHN C[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000083391665 178397683 /nfs/dbraw/zinc/39/76/83/178397683.db2.gz JVXUSWMXUCJJEM-QMMMGPOBSA-N 0 3 252.274 0.470 20 5 CCBDHN CC[C@@]1(O)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000425932384 529573621 /nfs/dbraw/zinc/57/36/21/529573621.db2.gz PXFRYGOFTURXLJ-LLVKDONJSA-N 0 3 254.290 0.638 20 5 CCBDHN CN1CC[C@](O)(CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358169232 529809929 /nfs/dbraw/zinc/80/99/29/529809929.db2.gz QVLQSPRXKVYGAA-ZDUSSCGKSA-N 0 3 283.303 0.890 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(CF)CC2)c1 ZINC000295133343 199363704 /nfs/dbraw/zinc/36/37/04/199363704.db2.gz LIJUNAYFIDBUMI-LBPRGKRZSA-N 0 3 286.307 0.834 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000533110344 290782957 /nfs/dbraw/zinc/78/29/57/290782957.db2.gz GTUYAUVYUZXGFW-LBPRGKRZSA-N 0 3 282.300 0.032 20 5 CCBDHN C[C@H](NCc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000602809414 362810355 /nfs/dbraw/zinc/81/03/55/362810355.db2.gz HFHJSHNYBUCSKZ-DTWKUNHWSA-N 0 3 254.290 0.843 20 5 CCBDHN COC[C@@]1(CO)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602835929 362827121 /nfs/dbraw/zinc/82/71/21/362827121.db2.gz AIQHGJNAXWLNJA-ZDUSSCGKSA-N 0 3 298.343 0.431 20 5 CCBDHN CC(C)[C@@](C)(CO)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602840263 362829733 /nfs/dbraw/zinc/82/97/33/362829733.db2.gz YSCMOABESSKUJK-LLVKDONJSA-N 0 3 256.306 0.825 20 5 CCBDHN Cc1nn(C)c(NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000252672775 137003831 /nfs/dbraw/zinc/00/38/31/137003831.db2.gz CMKVRQICJOPURC-WDEREUQCSA-N 0 3 295.343 0.912 20 5 CCBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC(CO)CO ZINC000344795393 137213604 /nfs/dbraw/zinc/21/36/04/137213604.db2.gz RWIPGMVVNAHDLL-BJMVGYQFSA-N 0 3 266.297 0.941 20 5 CCBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000037889265 348215886 /nfs/dbraw/zinc/21/58/86/348215886.db2.gz JSRPNYGFDYCJRI-ZYHUDNBSSA-N 0 3 291.311 0.898 20 5 CCBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000037889262 348216431 /nfs/dbraw/zinc/21/64/31/348216431.db2.gz JSRPNYGFDYCJRI-JQWIXIFHSA-N 0 3 291.311 0.898 20 5 CCBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000042302195 348273676 /nfs/dbraw/zinc/27/36/76/348273676.db2.gz WXXGALNADBHQPC-UHFFFAOYSA-N 0 3 295.343 0.290 20 5 CCBDHN C[C@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000346261041 137275489 /nfs/dbraw/zinc/27/54/89/137275489.db2.gz MACWOZGDHPNRJP-SSDOTTSWSA-N 0 3 255.278 0.008 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063680480 348689251 /nfs/dbraw/zinc/68/92/51/348689251.db2.gz OOMWZFDUNFRVCQ-NSHDSACASA-N 0 3 295.343 0.782 20 5 CCBDHN NC(=O)C1(NCCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000088544957 349368647 /nfs/dbraw/zinc/36/86/47/349368647.db2.gz HIWWISMKLJUJQF-UHFFFAOYSA-N 0 3 281.316 0.569 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCSCC2)c1 ZINC000089981379 349418014 /nfs/dbraw/zinc/41/80/14/349418014.db2.gz JYUOWZLOFIRUDY-LLVKDONJSA-N 0 3 286.357 0.591 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)C[C@@H]1CN ZINC000124298290 350094598 /nfs/dbraw/zinc/09/45/98/350094598.db2.gz MFLQPSULSDSFRQ-LBPRGKRZSA-N 0 3 292.339 0.618 20 5 CCBDHN O=C(C[C@H]1CNCCO1)NCc1ccc([N+](=O)[O-])cc1 ZINC000091300385 180128011 /nfs/dbraw/zinc/12/80/11/180128011.db2.gz ZKKHFNFRGHRPLS-LBPRGKRZSA-N 0 3 279.296 0.590 20 5 CCBDHN COCCN(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000104958866 186034309 /nfs/dbraw/zinc/03/43/09/186034309.db2.gz HEPOVADXXQNUEE-UHFFFAOYSA-N 0 3 284.312 0.914 20 5 CCBDHN C[C@H]1CCCN(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136028749 350412150 /nfs/dbraw/zinc/41/21/50/350412150.db2.gz UNPMIFHENVNFKS-VIFPVBQESA-N 0 3 281.316 0.780 20 5 CCBDHN C[C@H]1CCCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136028749 350412158 /nfs/dbraw/zinc/41/21/58/350412158.db2.gz UNPMIFHENVNFKS-VIFPVBQESA-N 0 3 281.316 0.780 20 5 CCBDHN O=C(CCN1C[C@@H]2C[C@]2(O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000603092690 362959254 /nfs/dbraw/zinc/95/92/54/362959254.db2.gz YTKGIIYSYBUUQK-HZMBPMFUSA-N 0 3 291.307 0.990 20 5 CCBDHN CCN1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000194653574 351880077 /nfs/dbraw/zinc/88/00/77/351880077.db2.gz VVSDXTGJIQFDGM-JTQLQIEISA-N 0 3 281.316 0.392 20 5 CCBDHN Cc1nn(C)c(NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000226737999 352033242 /nfs/dbraw/zinc/03/32/42/352033242.db2.gz UGGUYOPMOQYPRK-UHFFFAOYSA-N 0 3 271.321 0.627 20 5 CCBDHN CC[C@H](C)[C@@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000237073102 352241049 /nfs/dbraw/zinc/24/10/49/352241049.db2.gz SYCJGLQMNMYHKG-WCBMZHEXSA-N 0 3 269.305 0.281 20 5 CCBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCCNC2)ccc1[N+](=O)[O-] ZINC000237790855 352283397 /nfs/dbraw/zinc/28/33/97/352283397.db2.gz YOOKBFWJAFVLOK-SNVBAGLBSA-N 0 3 299.352 0.934 20 5 CCBDHN CN(C)[C@]1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCSC1 ZINC000270703201 352970152 /nfs/dbraw/zinc/97/01/52/352970152.db2.gz AFHKKRCYPGMLBC-NSHDSACASA-N 0 3 299.356 0.485 20 5 CCBDHN CS[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000272088585 353035290 /nfs/dbraw/zinc/03/52/90/353035290.db2.gz XPBSVZVMAPDUAU-VXGBXAGGSA-N 0 3 299.400 0.769 20 5 CCBDHN CN(C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272458717 353065471 /nfs/dbraw/zinc/06/54/71/353065471.db2.gz OFUUJGKXJVLJIE-UHFFFAOYSA-N 0 3 252.274 0.468 20 5 CCBDHN CN1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000279914224 353323870 /nfs/dbraw/zinc/32/38/70/353323870.db2.gz SJLSJUPJGPKGGS-UHFFFAOYSA-N 0 3 292.339 0.831 20 5 CCBDHN CN1CC[C@@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000292601332 198347515 /nfs/dbraw/zinc/34/75/15/198347515.db2.gz RURZTLYAQITEIC-CYBMUJFWSA-N 0 3 293.327 0.346 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CN1C1CC1 ZINC000286367403 353581777 /nfs/dbraw/zinc/58/17/77/353581777.db2.gz ACNQXYNKRJEMCJ-SFYZADRCSA-N 0 3 279.300 0.673 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299287769 354006351 /nfs/dbraw/zinc/00/63/51/354006351.db2.gz OOMKPOOGGCWSRN-SECBINFHSA-N 0 3 267.289 0.002 20 5 CCBDHN CCN1CCC(NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000299509972 354023223 /nfs/dbraw/zinc/02/32/23/354023223.db2.gz FULBUHASLVAXFP-UHFFFAOYSA-N 0 3 281.316 0.840 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCOCCO ZINC000311514911 354200939 /nfs/dbraw/zinc/20/09/39/354200939.db2.gz CQDFNPICQDTSKB-UHFFFAOYSA-N 0 3 272.305 0.040 20 5 CCBDHN CN(C)C[C@H]1CCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000332717699 354727561 /nfs/dbraw/zinc/72/75/61/354727561.db2.gz QLFGGWZHBXRGAJ-SECBINFHSA-N 0 3 281.316 0.495 20 5 CCBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC000423983635 235131137 /nfs/dbraw/zinc/13/11/37/235131137.db2.gz AOXOLFHXPDDCRX-JTQLQIEISA-N 0 3 294.311 0.111 20 5 CCBDHN C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCCC[C@@H]1C ZINC000339002975 355468971 /nfs/dbraw/zinc/46/89/71/355468971.db2.gz LUGOMAJAPDISMB-VHSXEESVSA-N 0 3 294.359 0.894 20 5 CCBDHN Cc1nn(C)c(C(=O)NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000352860190 356097721 /nfs/dbraw/zinc/09/77/21/356097721.db2.gz HLNWAUNSOWPMQK-ZETCQYMHSA-N 0 3 269.305 0.317 20 5 CCBDHN CN(CCc1cccc([N+](=O)[O-])c1)[C@H]1COC[C@@H]1O ZINC000361379605 138033068 /nfs/dbraw/zinc/03/30/68/138033068.db2.gz VSWJUMXBSNBHCB-STQMWFEESA-N 0 3 266.297 0.829 20 5 CCBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC000361064487 138020465 /nfs/dbraw/zinc/02/04/65/138020465.db2.gz DVBVNSAKRYWSGU-YUMQZZPRSA-N 0 3 266.305 0.692 20 5 CCBDHN O=C(N[C@@H]1CNCCC1(F)F)c1cc([N+](=O)[O-])c[nH]1 ZINC000449658998 236044167 /nfs/dbraw/zinc/04/41/67/236044167.db2.gz CMBNETFXBGRHTG-MRVPVSSYSA-N 0 3 274.227 0.650 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000405674901 357826601 /nfs/dbraw/zinc/82/66/01/357826601.db2.gz KYMJBMWOWITGFN-LSDHHAIUSA-N 0 3 291.351 0.888 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CNC2)c1 ZINC000580310914 359081517 /nfs/dbraw/zinc/08/15/17/359081517.db2.gz NPLIYNQHKIPVNT-UHFFFAOYSA-N 0 3 285.325 0.462 20 5 CCBDHN CN1CCC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000610864185 363623043 /nfs/dbraw/zinc/62/30/43/363623043.db2.gz LXAAXNAGRLHALS-SNVBAGLBSA-N 0 3 296.331 0.185 20 5 CCBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860839 359343860 /nfs/dbraw/zinc/34/38/60/359343860.db2.gz LYPHIOASVQDBKO-MWLCHTKSSA-N 0 3 294.311 0.204 20 5 CCBDHN Nc1nccc(C(=O)NCCN2CCCC2)c1[N+](=O)[O-] ZINC000594215573 360259895 /nfs/dbraw/zinc/25/98/95/360259895.db2.gz NPTSFAKZLGHXPL-UHFFFAOYSA-N 0 3 279.300 0.228 20 5 CCBDHN NC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000594451565 360315170 /nfs/dbraw/zinc/31/51/70/360315170.db2.gz MGLVJLCZQNPOOL-SSDOTTSWSA-N 0 3 295.221 0.187 20 5 CCBDHN Cc1nn(C)c(C(=O)N[C@@H](CN)C(F)(F)F)c1[N+](=O)[O-] ZINC000594451595 360316389 /nfs/dbraw/zinc/31/63/89/360316389.db2.gz NROHAYOBAKRVGH-YFKPBYRVSA-N 0 3 295.221 0.256 20 5 CCBDHN C[C@@]1(O)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000177973263 189082440 /nfs/dbraw/zinc/08/24/40/189082440.db2.gz QTXUVGKQYOMWKA-GXTWGEPZSA-N 0 3 296.323 0.791 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]3C[C@H]3C2)c1 ZINC000595807524 360662216 /nfs/dbraw/zinc/66/22/16/360662216.db2.gz KBEWXVGEJOIQAZ-JBLDHEPKSA-N 0 3 266.301 0.494 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2COC[C@H]2C1 ZINC000595826930 360669780 /nfs/dbraw/zinc/66/97/80/360669780.db2.gz BEBJIRCFNXIXBQ-NWDGAFQWSA-N 0 3 293.323 0.725 20 5 CCBDHN CCN1CCN(CCNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596072930 360787470 /nfs/dbraw/zinc/78/74/70/360787470.db2.gz AXMARNFRWOLGAO-UHFFFAOYSA-N 0 3 294.359 0.043 20 5 CCBDHN Cc1sc(C(=O)N2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000596098277 360794056 /nfs/dbraw/zinc/79/40/56/360794056.db2.gz KBUGPUFRLDRDJB-UHFFFAOYSA-N 0 3 297.336 0.779 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](CO)CN(C)C ZINC000596242943 360849886 /nfs/dbraw/zinc/84/98/86/360849886.db2.gz GPGRNWFHCUPMOK-SECBINFHSA-N 0 3 271.321 0.454 20 5 CCBDHN C[N@@H+]1CC[C@@](O)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596198029 360830558 /nfs/dbraw/zinc/83/05/58/360830558.db2.gz PFXUBSUVTMUQSE-LLVKDONJSA-N 0 3 268.273 0.174 20 5 CCBDHN C[N@H+]1CC[C@@](O)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596198029 360830562 /nfs/dbraw/zinc/83/05/62/360830562.db2.gz PFXUBSUVTMUQSE-LLVKDONJSA-N 0 3 268.273 0.174 20 5 CCBDHN CC(C)(C)N1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000597925411 361285004 /nfs/dbraw/zinc/28/50/04/361285004.db2.gz ORKRKGRQHIHFON-SNVBAGLBSA-N 0 3 295.343 0.780 20 5 CCBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000183984387 189373404 /nfs/dbraw/zinc/37/34/04/189373404.db2.gz YUQMVESEULEPMU-UHFFFAOYSA-N 0 3 271.273 0.232 20 5 CCBDHN CC[C@@]1(NCCn2cc([N+](=O)[O-])ccc2=O)CCOC1 ZINC000616866063 365464150 /nfs/dbraw/zinc/46/41/50/365464150.db2.gz KMBRXQZAMTWRFL-CYBMUJFWSA-N 0 3 281.312 0.915 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1(C)C ZINC000457051256 249039427 /nfs/dbraw/zinc/03/94/27/249039427.db2.gz HNAAKEUMBRVAIL-UHFFFAOYSA-N 0 3 295.343 0.933 20 5 CCBDHN C[C@H]1C[C@@H](CO)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000289044542 197220758 /nfs/dbraw/zinc/22/07/58/197220758.db2.gz PVKPXDQHEMFOOK-QWRGUYRKSA-N 0 3 268.317 0.884 20 5 CCBDHN Nc1ccc([N+](=O)[O-])c(N2CCCN(CCO)CC2)c1 ZINC000193409742 389069317 /nfs/dbraw/zinc/06/93/17/389069317.db2.gz RDCJBUZSNMWYNF-UHFFFAOYSA-N 0 3 280.328 0.681 20 5 CCBDHN CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000341004227 389179640 /nfs/dbraw/zinc/17/96/40/389179640.db2.gz ANWZLSIRUOGTCO-ZJUUUORDSA-N 0 3 254.290 0.494 20 5 CCBDHN CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000341004225 389180005 /nfs/dbraw/zinc/18/00/05/389180005.db2.gz ANWZLSIRUOGTCO-VHSXEESVSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@@H](CO)N1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000344978701 389286221 /nfs/dbraw/zinc/28/62/21/389286221.db2.gz GKRYYVUFUGGIBY-JTQLQIEISA-N 0 3 283.332 0.221 20 5 CCBDHN Nc1nc(NCCCN2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC000263942733 389302949 /nfs/dbraw/zinc/30/29/49/389302949.db2.gz FPTVEEGMQLNUBG-UHFFFAOYSA-N 0 3 296.331 0.226 20 5 CCBDHN C[C@@H]1CC[C@@H](O)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000421027998 389348719 /nfs/dbraw/zinc/34/87/19/389348719.db2.gz WAHQEKWPCAUSLM-NXEZZACHSA-N 0 3 254.290 0.637 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)CN ZINC000415417534 389681923 /nfs/dbraw/zinc/68/19/23/389681923.db2.gz MWURHHGDKNCJRV-SECBINFHSA-N 0 3 294.311 0.647 20 5 CCBDHN O=C(COC1CNC1)NCc1ccccc1[N+](=O)[O-] ZINC000429682359 389764975 /nfs/dbraw/zinc/76/49/75/389764975.db2.gz NETPTJMEYHQDBY-UHFFFAOYSA-N 0 3 265.269 0.199 20 5 CCBDHN O=C(COC1CNC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000429813773 389771498 /nfs/dbraw/zinc/77/14/98/389771498.db2.gz RYPFQYJOLVOXFN-UHFFFAOYSA-N 0 3 277.280 0.472 20 5 CCBDHN CC(C)CN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352633340 389833652 /nfs/dbraw/zinc/83/36/52/389833652.db2.gz MWHCWYXFORKXOJ-UHFFFAOYSA-N 0 3 283.332 0.978 20 5 CCBDHN CO[C@H](CN)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000352941519 389842607 /nfs/dbraw/zinc/84/26/07/389842607.db2.gz ICPOCKFXSNUYMF-GFCCVEGCSA-N 0 3 279.296 0.453 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000446383263 389935198 /nfs/dbraw/zinc/93/51/98/389935198.db2.gz IVOLSCZWVAJXKE-GXSJLCMTSA-N 0 3 297.286 0.920 20 5 CCBDHN CNCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440830402 390045771 /nfs/dbraw/zinc/04/57/71/390045771.db2.gz CXGKRTJSQFCMIC-UHFFFAOYSA-N 0 3 279.343 0.496 20 5 CCBDHN CN(C[C@H]1CCCN1C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000420633947 390019148 /nfs/dbraw/zinc/01/91/48/390019148.db2.gz JTBNDCREAROALC-SECBINFHSA-N 0 3 293.327 0.619 20 5 CCBDHN CC(C)N1CC[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000457102639 390029524 /nfs/dbraw/zinc/02/95/24/390029524.db2.gz ACNCSVFMFLPIGG-LLVKDONJSA-N 0 3 295.343 0.732 20 5 CCBDHN CN1CCC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000535024649 390135470 /nfs/dbraw/zinc/13/54/70/390135470.db2.gz GVFYVEJRNFNVGA-QMMMGPOBSA-N 0 3 267.289 0.390 20 5 CCBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncccc1[N+](=O)[O-] ZINC000591982436 390361505 /nfs/dbraw/zinc/36/15/05/390361505.db2.gz LUVAFVYWCUKUOF-SNVBAGLBSA-N 0 3 293.327 0.546 20 5 CCBDHN CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000556085101 390472762 /nfs/dbraw/zinc/47/27/62/390472762.db2.gz LHJSJSZUUONKSI-LBPRGKRZSA-N 0 3 297.359 0.178 20 5 CCBDHN Cc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000358063888 144148402 /nfs/dbraw/zinc/14/84/02/144148402.db2.gz JSCGETCHBDKSOP-AWEZNQCLSA-N 0 3 293.323 0.700 20 5 CCBDHN O=[N+]([O-])c1ccn(C2CCN(CCOCCO)CC2)n1 ZINC000373272926 144399621 /nfs/dbraw/zinc/39/96/21/144399621.db2.gz IHDHFVQDODPMPS-UHFFFAOYSA-N 0 3 284.316 0.437 20 5 CCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCNCC2)c1 ZINC000022223805 171379763 /nfs/dbraw/zinc/37/97/63/171379763.db2.gz QVDSFOFFZGCXCZ-UHFFFAOYSA-N 0 3 285.325 0.579 20 5 CCBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000126289769 544594171 /nfs/dbraw/zinc/59/41/71/544594171.db2.gz YRJJKVDINUFNKO-ZJUUUORDSA-N 0 3 295.343 0.787 20 5 CCBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC(N(C)C)C1 ZINC000302125110 277255824 /nfs/dbraw/zinc/25/58/24/277255824.db2.gz HYEZIBBQVWIMSE-UHFFFAOYSA-N 0 3 278.312 0.705 20 5 CCBDHN CN(C)C[C@H]1CCCN1c1c([N+](=O)[O-])ncn1C ZINC000268195472 289211688 /nfs/dbraw/zinc/21/16/88/289211688.db2.gz PXTCOHDQEUTJBH-SECBINFHSA-N 0 3 253.306 0.859 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H](O)CN1CCCCC1 ZINC000048559791 294460958 /nfs/dbraw/zinc/46/09/58/294460958.db2.gz JKXATAVOSPQVGM-SNVBAGLBSA-N 0 3 283.332 0.587 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000166309431 334912711 /nfs/dbraw/zinc/91/27/11/334912711.db2.gz LBGODJFPMBHQQX-JTQLQIEISA-N 0 3 293.327 0.639 20 5 CCBDHN C[C@@H]1NCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000417908426 534127260 /nfs/dbraw/zinc/12/72/60/534127260.db2.gz IKCUUUHPMWWBNZ-UWVGGRQHSA-N 0 3 296.331 0.183 20 5 CCBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CNCCO1 ZINC000423991782 534466311 /nfs/dbraw/zinc/46/63/11/534466311.db2.gz NCBVIGAWTMYJHB-CYBMUJFWSA-N 0 3 293.323 0.632 20 5 CCBDHN C[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000151685976 524986901 /nfs/dbraw/zinc/98/69/01/524986901.db2.gz JVXUSWMXUCJJEM-MRVPVSSYSA-N 0 3 252.274 0.470 20 5 CCBDHN NC(=O)C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000367982127 526909881 /nfs/dbraw/zinc/90/98/81/526909881.db2.gz HEELZKGVZINUPQ-MFKMUULPSA-N 0 3 293.323 0.826 20 5 CCBDHN O=[N+]([O-])c1cccc([C@H](O)CNC2(CO)CCOCC2)c1 ZINC000750051721 582032131 /nfs/dbraw/zinc/03/21/31/582032131.db2.gz LFNHRKWAAHRUGA-CYBMUJFWSA-N 0 3 296.323 0.759 20 5 CCBDHN CC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)(C)C ZINC000835457155 614095049 /nfs/dbraw/zinc/09/50/49/614095049.db2.gz XJLCBIMVYBVKQS-VXNVDRBHSA-N 0 3 260.290 0.746 20 5 CCBDHN CC[C@H](CO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000857329877 615737017 /nfs/dbraw/zinc/73/70/17/615737017.db2.gz ODVOHBYZCRYLJG-LLVKDONJSA-N 0 3 293.323 0.844 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868345671 615938660 /nfs/dbraw/zinc/93/86/60/615938660.db2.gz NFYQOWTXRMFIAK-SNVBAGLBSA-N 0 3 299.302 0.315 20 5 CCBDHN CN(CCNc1ccccc1[N+](=O)[O-])CCOCCO ZINC000882952587 616097441 /nfs/dbraw/zinc/09/74/41/616097441.db2.gz YZACNDHKWDKZOC-UHFFFAOYSA-N 0 3 283.328 0.947 20 5 CCBDHN CN(CCO)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000925017164 616106147 /nfs/dbraw/zinc/10/61/47/616106147.db2.gz QHLFMXDKYUCNHI-UHFFFAOYSA-N 0 3 285.275 0.388 20 5 CCBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000874831035 616198923 /nfs/dbraw/zinc/19/89/23/616198923.db2.gz XEZRLDWRUFIKIY-VHSXEESVSA-N 0 3 279.300 0.627 20 5 CCBDHN CC(COC(=O)[C@@H]1COCCN1CC(F)F)[N+](=O)[O-] ZINC000813100972 624646738 /nfs/dbraw/zinc/64/67/38/624646738.db2.gz ZJACJGQMCHPMLN-YUMQZZPRSA-N 0 3 282.243 0.161 20 5 CCBDHN O=[N+]([O-])c1ccnn1CN1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000902644645 634429161 /nfs/dbraw/zinc/42/91/61/634429161.db2.gz QCJXBMDLLTVKPC-NWDGAFQWSA-N 0 3 295.343 0.280 20 5 CCBDHN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNCC[N+](=O)[O-])O2 ZINC000905486581 634871327 /nfs/dbraw/zinc/87/13/27/634871327.db2.gz OJZDPBLQVYEXNG-NOOOWODRSA-N 0 3 258.318 0.825 20 5 CCBDHN C[C@@H]1OC[C@]2(CC[C@@H](CNCC[N+](=O)[O-])O2)[C@H]1C ZINC000905486579 634871417 /nfs/dbraw/zinc/87/14/17/634871417.db2.gz OJZDPBLQVYEXNG-FIQHERPVSA-N 0 3 258.318 0.825 20 5 CCBDHN Cc1ccc(C(=O)N(C)CCN(C)CCO)cc1[N+](=O)[O-] ZINC000912611439 636620866 /nfs/dbraw/zinc/62/08/66/636620866.db2.gz RIOLBBKXUFRAFN-UHFFFAOYSA-N 0 3 295.339 0.899 20 5 CCBDHN N[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000923395979 640120434 /nfs/dbraw/zinc/12/04/34/640120434.db2.gz SYRUOGZNDZJXAZ-JHJVBQTASA-N 0 3 283.303 0.999 20 5 CCBDHN Cc1cc(COCC(=O)OCC(C)[N+](=O)[O-])on1 ZINC000813105447 641021808 /nfs/dbraw/zinc/02/18/08/641021808.db2.gz ZMBCVAFPFLGFOJ-MRVPVSSYSA-N 0 3 258.230 0.708 20 5 CCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000834600929 642613633 /nfs/dbraw/zinc/61/36/33/642613633.db2.gz WVBRNGGQLUIANL-GWOFURMSSA-N 0 3 271.292 0.296 20 5 CCBDHN CC(COC(=O)[C@]1(c2ccccc2)CNC(=O)C1)[N+](=O)[O-] ZINC000847714840 643549096 /nfs/dbraw/zinc/54/90/96/643549096.db2.gz ZFYQOUVBKPDDPW-YGRLFVJLSA-N 0 3 292.291 0.653 20 5 CCBDHN C[C@@H](NCCn1cnnn1)c1ccc([N+](=O)[O-])cc1 ZINC000932176534 649055760 /nfs/dbraw/zinc/05/57/60/649055760.db2.gz HMTDFKSRMNIQTP-SECBINFHSA-N 0 3 262.273 0.932 20 5 CCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC001124055751 799547312 /nfs/dbraw/zinc/54/73/12/799547312.db2.gz OIZGYXBMGPCIGU-UHFFFAOYSA-N 0 3 289.295 0.838 20 5 CCBDHN COc1nc(N[C@@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159496002 801821162 /nfs/dbraw/zinc/82/11/62/801821162.db2.gz HSZQQTBZADZFRR-WCBMZHEXSA-N 0 3 282.300 0.787 20 5 CCBDHN O=C1C[C@@H]2[NH2+]CC[C@]2([N-]c2nc(Cl)ccc2[N+](=O)[O-])N1 ZINC001163251208 802518458 /nfs/dbraw/zinc/51/84/58/802518458.db2.gz QKVMKKLOOLUKOX-WRWORJQWSA-N 0 3 297.702 0.633 20 5 CCBDHN CN(c1cc2cc[nH]c2c([N+](=O)[O-])c1)S(=O)(=O)CCN ZINC001164296242 802710653 /nfs/dbraw/zinc/71/06/53/802710653.db2.gz BTGNNPSOKCPXJE-UHFFFAOYSA-N 0 3 298.324 0.801 20 5 CCBDHN COC(=O)CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001164562008 802765273 /nfs/dbraw/zinc/76/52/73/802765273.db2.gz HRZLYUQBKYCTCE-UHFFFAOYSA-N 0 3 251.242 0.783 20 5 CCBDHN COc1ncnc(-n2ncc3c2CCNC3)c1[N+](=O)[O-] ZINC001165220045 802798947 /nfs/dbraw/zinc/79/89/47/802798947.db2.gz ZUOSLYKUVURWPL-UHFFFAOYSA-N 0 3 276.256 0.225 20 5 CCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N(C)C[C@H](O)CO ZINC001254560642 808259712 /nfs/dbraw/zinc/25/97/12/808259712.db2.gz GQMCSQZRNTXDAG-PWSUYJOCSA-N 0 3 268.313 0.811 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@H]1CCS(=O)(=O)C1)C2 ZINC001254566969 808259738 /nfs/dbraw/zinc/25/97/38/808259738.db2.gz LVCNGUZVWZGMOL-RYUDHWBXSA-N 0 3 296.348 0.839 20 5 CCBDHN CNC(=O)[C@H](C)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254577205 808262648 /nfs/dbraw/zinc/26/26/48/808262648.db2.gz CXIQWCPSRMMVLM-KWQFWETISA-N 0 3 263.297 0.786 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)CCO ZINC000899732846 815220286 /nfs/dbraw/zinc/22/02/86/815220286.db2.gz PCVFCRNGSORKMK-UHFFFAOYSA-N 0 3 281.312 0.557 20 5 CCBDHN Cc1nc(C)c(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001126936257 815322086 /nfs/dbraw/zinc/32/20/86/815322086.db2.gz CZQYQKFDQUSUOQ-NXEZZACHSA-N 0 3 282.300 0.162 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])ncc1-n1nc(CN)cc1C ZINC001163986089 820487065 /nfs/dbraw/zinc/48/70/65/820487065.db2.gz RXJFMERIQDRBMB-UHFFFAOYSA-N 0 3 291.267 0.729 20 5 CCBDHN CN1CCc2c(-n3nncc3CN)ccc([N+](=O)[O-])c2C1 ZINC001169312079 836191436 /nfs/dbraw/zinc/19/14/36/836191436.db2.gz LERDQKIWZUYQRH-UHFFFAOYSA-N 0 3 288.311 0.622 20 5 CCBDHN NCc1cnnn1-c1cc([N+](=O)[O-])c2nccn2c1 ZINC001169309899 836209369 /nfs/dbraw/zinc/20/93/69/836209369.db2.gz OTCIISZFCZCRMC-UHFFFAOYSA-N 0 3 259.229 0.282 20 5 CCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(CCCCCF)CC1 ZINC001112835574 836936096 /nfs/dbraw/zinc/93/60/96/836936096.db2.gz FTPKBUBQLUMLDE-VXGBXAGGSA-N 0 3 287.335 0.936 20 5 CCBDHN COc1ccc(N[C@@H](C)[C@@H]2CNCCO2)nc1[N+](=O)[O-] ZINC001170563142 838110952 /nfs/dbraw/zinc/11/09/52/838110952.db2.gz KQKULLRHTCVIGN-WPRPVWTQSA-N 0 3 282.300 0.787 20 5 CCBDHN C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170575948 838166164 /nfs/dbraw/zinc/16/61/64/838166164.db2.gz YISOXJJQVOZNCK-GMSGAONNSA-N 0 3 286.719 0.854 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H](CO)CN(C)C)n1 ZINC000716779576 841680670 /nfs/dbraw/zinc/68/06/70/841680670.db2.gz PKZCVILKQJQMAT-SECBINFHSA-N 0 3 254.290 0.633 20 5 CCBDHN Cc1nc(N2CC(N[C@@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001187739727 844760000 /nfs/dbraw/zinc/76/00/00/844760000.db2.gz GMWQXSRKMJDBAK-SECBINFHSA-N 0 3 279.300 0.260 20 5 CCBDHN CC(COC(=O)[C@@H]1CNC(=O)c2ccccc21)[N+](=O)[O-] ZINC000860777713 900747939 /nfs/dbraw/zinc/74/79/39/900747939.db2.gz UBJQZLSGZLNJDB-LDYMZIIASA-N 0 3 278.264 0.722 20 5 CCBDHN CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC001290152423 906111905 /nfs/dbraw/zinc/11/19/05/906111905.db2.gz BFFBFKDBZVYIDA-UHFFFAOYSA-N 0 3 293.327 0.738 20 5 CCBDHN CC[C@@H](C)N1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001338060892 921355193 /nfs/dbraw/zinc/35/51/93/921355193.db2.gz VESDQVJIXPDRHI-SNVBAGLBSA-N 0 3 282.348 0.512 20 5 CCBDHN Cc1cc(NC(=O)[C@@H]2CNCCN2C)cc([N+](=O)[O-])c1 ZINC001343681876 923417165 /nfs/dbraw/zinc/41/71/65/923417165.db2.gz SVFXIDNRPLNDLB-LBPRGKRZSA-N 0 3 278.312 0.745 20 5 CCBDHN O=C(NCC[NH+]1CCC1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000337608511 214179421 /nfs/dbraw/zinc/17/94/21/214179421.db2.gz WNTCOUOQIWSRQB-UHFFFAOYSA-N 0 3 289.295 0.907 20 5 CCBDHN CCN(C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000112925798 349796152 /nfs/dbraw/zinc/79/61/52/349796152.db2.gz XNZJTGKARKWRHW-UHFFFAOYSA-N 0 3 269.305 0.318 20 5 CCBDHN Cn1cc(CN[C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])n1 ZINC000602624940 362718168 /nfs/dbraw/zinc/71/81/68/362718168.db2.gz PZIZROFBSXZFGD-GXSJLCMTSA-N 0 3 268.317 0.969 20 5 CCBDHN COC[C@@](C)(CCO)NCCn1cc([N+](=O)[O-])cn1 ZINC000085903799 179196892 /nfs/dbraw/zinc/19/68/92/179196892.db2.gz BLPZPWATELIMGI-LLVKDONJSA-N 0 3 272.305 0.168 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000602841506 362829254 /nfs/dbraw/zinc/82/92/54/362829254.db2.gz RCRAUWCZNHKGQM-URLYPYJESA-N 0 3 266.301 0.270 20 5 CCBDHN CC(C)N(CCN(C)C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000344533121 137199804 /nfs/dbraw/zinc/19/98/04/137199804.db2.gz HDDMOKXMBINJHD-UHFFFAOYSA-N 0 3 268.321 0.574 20 5 CCBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050697537 348478533 /nfs/dbraw/zinc/47/85/33/348478533.db2.gz HZYQOCXBRUOQSQ-UHFFFAOYSA-N 0 3 252.274 0.468 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCCC(F)(F)F)c1 ZINC000063099965 348677069 /nfs/dbraw/zinc/67/70/69/348677069.db2.gz GKDHQIWRNGDWBY-MRVPVSSYSA-N 0 3 282.222 0.694 20 5 CCBDHN CNc1c(C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000130783911 350248826 /nfs/dbraw/zinc/24/88/26/350248826.db2.gz NATDHAPARBOKPT-UHFFFAOYSA-N 0 3 266.301 0.928 20 5 CCBDHN O=C(CCN1C[C@H]2C[C@@]2(O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000603092693 362960083 /nfs/dbraw/zinc/96/00/83/362960083.db2.gz YTKGIIYSYBUUQK-QMTHXVAHSA-N 0 3 291.307 0.990 20 5 CCBDHN Cc1cnc(OC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000164046949 350775887 /nfs/dbraw/zinc/77/58/87/350775887.db2.gz ZVVCBHNBIZOPTI-VIFPVBQESA-N 0 3 253.258 0.665 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO1 ZINC000174841823 351106536 /nfs/dbraw/zinc/10/65/36/351106536.db2.gz IGOGNJWOMMNUDZ-LLVKDONJSA-N 0 3 254.290 0.902 20 5 CCBDHN CCN(CCC(=O)OC)CCn1cc([N+](=O)[O-])cn1 ZINC000174836484 351106927 /nfs/dbraw/zinc/10/69/27/351106927.db2.gz RQZPBUMTZIJZBL-UHFFFAOYSA-N 0 3 270.289 0.676 20 5 CCBDHN O=[N+]([O-])c1ccccc1CNC[C@]1(O)CCOC1 ZINC000229641818 352094947 /nfs/dbraw/zinc/09/49/47/352094947.db2.gz HELRNXCLXCUYOX-GFCCVEGCSA-N 0 3 252.270 0.836 20 5 CCBDHN CCC[C@@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000236951520 352231650 /nfs/dbraw/zinc/23/16/50/352231650.db2.gz JQOGSINRUJGQRG-SECBINFHSA-N 0 3 255.278 0.035 20 5 CCBDHN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1 ZINC000237419401 352263951 /nfs/dbraw/zinc/26/39/51/352263951.db2.gz RNTRAMADLAIRST-ZJUUUORDSA-N 0 3 281.316 0.390 20 5 CCBDHN C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000237653148 352278240 /nfs/dbraw/zinc/27/82/40/352278240.db2.gz UIWACULYUZCSQI-BQBZGAKWSA-N 0 3 253.262 0.140 20 5 CCBDHN O=C(CNC1CC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000238164620 352300842 /nfs/dbraw/zinc/30/08/42/352300842.db2.gz PWNIFODPMJUTCB-UHFFFAOYSA-N 0 3 278.312 0.875 20 5 CCBDHN C[C@]1(O)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000248358438 352435662 /nfs/dbraw/zinc/43/56/62/352435662.db2.gz QTXUVGKQYOMWKA-OCCSQVGLSA-N 0 3 296.323 0.791 20 5 CCBDHN CN(C[C@@H]1CCN(C)C1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271159534 353027003 /nfs/dbraw/zinc/02/70/03/353027003.db2.gz WBEAZWFEVPFRLP-SECBINFHSA-N 0 3 281.316 0.352 20 5 CCBDHN CC[C@H]1CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292320490 198243089 /nfs/dbraw/zinc/24/30/89/198243089.db2.gz FGTMALBZMQYFSN-GXSJLCMTSA-N 0 3 254.290 0.637 20 5 CCBDHN CC(C)C[C@@H](CN(C)C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000128956850 137643944 /nfs/dbraw/zinc/64/39/44/137643944.db2.gz JWOPEHUMOWZGGO-JTQLQIEISA-N 0 3 298.347 0.279 20 5 CCBDHN COC(=O)[C@]1(C)CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000282673148 353443635 /nfs/dbraw/zinc/44/36/35/353443635.db2.gz JFTIEDBZDXNQLB-ZWNOBZJWSA-N 0 3 296.327 0.922 20 5 CCBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CNCCO1 ZINC000557140720 291023635 /nfs/dbraw/zinc/02/36/35/291023635.db2.gz PVYFOOJNZWJYSH-LBPRGKRZSA-N 0 3 294.311 0.382 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCN1C ZINC000345332484 355800304 /nfs/dbraw/zinc/80/03/04/355800304.db2.gz YHFYZECTGORGPY-HTQZYQBOSA-N 0 3 267.289 0.530 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@@H]1O ZINC000352669022 356048516 /nfs/dbraw/zinc/04/85/16/356048516.db2.gz WSINYNOPRSXAQW-NEPJUHHUSA-N 0 3 281.312 0.602 20 5 CCBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1C ZINC000559367640 291082722 /nfs/dbraw/zinc/08/27/22/291082722.db2.gz TZBQFGGGDWYPFH-BDAKNGLRSA-N 0 3 281.316 0.873 20 5 CCBDHN CS[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000619789791 366354735 /nfs/dbraw/zinc/35/47/35/366354735.db2.gz NQHMXMAXVXJOCR-RKDXNWHRSA-N 0 3 299.356 0.436 20 5 CCBDHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356147742 356711431 /nfs/dbraw/zinc/71/14/31/356711431.db2.gz HSFZVCIYYNBXLC-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C ZINC000359594978 356854168 /nfs/dbraw/zinc/85/41/68/356854168.db2.gz NWNKCOYGRPVMHG-UHFFFAOYSA-N 0 3 266.301 0.932 20 5 CCBDHN Cn1c(C(=O)N[C@@H](CN)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000401773175 357806151 /nfs/dbraw/zinc/80/61/51/357806151.db2.gz QBEHJINVBPTSHX-LURJTMIESA-N 0 3 280.206 0.553 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405273513 357823734 /nfs/dbraw/zinc/82/37/34/357823734.db2.gz PXIYAHNLLDYMQX-WDEREUQCSA-N 0 3 295.343 0.375 20 5 CCBDHN O=[N+]([O-])c1ccccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405665156 357826574 /nfs/dbraw/zinc/82/65/74/357826574.db2.gz IXYNSAPTRLCAFQ-WDEREUQCSA-N 0 3 263.297 0.850 20 5 CCBDHN COCCNCCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000567838586 358598486 /nfs/dbraw/zinc/59/84/86/358598486.db2.gz GNSQPVBPWTULFP-UHFFFAOYSA-N 0 3 297.311 0.569 20 5 CCBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1CNC1 ZINC000562758074 291166652 /nfs/dbraw/zinc/16/66/52/291166652.db2.gz ZVWMSIAVMLXJLR-UHFFFAOYSA-N 0 3 298.686 0.275 20 5 CCBDHN Cc1nc(N[C@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000589101803 359358458 /nfs/dbraw/zinc/35/84/58/359358458.db2.gz LSAYQXNFPBIUAT-VIFPVBQESA-N 0 3 254.290 0.633 20 5 CCBDHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)cc([N+](=O)[O-])c1 ZINC000588866201 359345010 /nfs/dbraw/zinc/34/50/10/359345010.db2.gz HHPYWBLCBIEXNH-NSHDSACASA-N 0 3 281.312 0.556 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CNC1CC1 ZINC000591672237 359633418 /nfs/dbraw/zinc/63/34/18/359633418.db2.gz DXEAGINXNKSSMT-UHFFFAOYSA-N 0 3 279.296 0.972 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CCOC2)c1 ZINC000591757099 359654082 /nfs/dbraw/zinc/65/40/82/359654082.db2.gz ZMHUJXDEQWKEDC-CMPLNLGQSA-N 0 3 282.296 0.713 20 5 CCBDHN CCCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCN(C)C1 ZINC000592830450 359946765 /nfs/dbraw/zinc/94/67/65/359946765.db2.gz FBEPVZRCECANBZ-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000594601494 360338008 /nfs/dbraw/zinc/33/80/08/360338008.db2.gz BYCAGBWWFYYRQN-NWDGAFQWSA-N 0 3 292.339 0.862 20 5 CCBDHN [NH3+]C[C@H](O)CCc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594651320 360351039 /nfs/dbraw/zinc/35/10/39/360351039.db2.gz BSFIBGAOLCPVMN-SNVBAGLBSA-N 0 3 293.283 0.133 20 5 CCBDHN O=[N+]([O-])c1ccc(OC[C@H]2CNCCO2)cc1CO ZINC000594697407 360361646 /nfs/dbraw/zinc/36/16/46/360361646.db2.gz VGSDPDBXAZAFTE-LLVKDONJSA-N 0 3 268.269 0.454 20 5 CCBDHN CN(Cc1cnc[nH]1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595595397 360592212 /nfs/dbraw/zinc/59/22/12/360592212.db2.gz GMKDAIQGTSMFBR-LLVKDONJSA-N 0 3 280.288 0.007 20 5 CCBDHN CC[C@@H](NC)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595927001 360707497 /nfs/dbraw/zinc/70/74/97/360707497.db2.gz SYNNIFRLTIYBOU-SECBINFHSA-N 0 3 277.284 0.830 20 5 CCBDHN CN(C)C[C@H](CO)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596240881 360849122 /nfs/dbraw/zinc/84/91/22/360849122.db2.gz BBBWIADZMUBHEF-SSDOTTSWSA-N 0 3 256.262 0.030 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597654167 361174821 /nfs/dbraw/zinc/17/48/21/361174821.db2.gz PGIIIQKCTFDNDR-LLVKDONJSA-N 0 3 299.302 0.315 20 5 CCBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C2 ZINC000597711888 361205812 /nfs/dbraw/zinc/20/58/12/361205812.db2.gz WSWJIHUCSYYPDE-ZDUSSCGKSA-N 0 3 293.327 0.876 20 5 CCBDHN CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597944980 361288145 /nfs/dbraw/zinc/28/81/45/361288145.db2.gz FTOKYKAJGZVOJH-SECBINFHSA-N 0 3 281.316 0.793 20 5 CCBDHN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597944980 361288147 /nfs/dbraw/zinc/28/81/47/361288147.db2.gz FTOKYKAJGZVOJH-SECBINFHSA-N 0 3 281.316 0.793 20 5 CCBDHN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598042809 361322466 /nfs/dbraw/zinc/32/24/66/361322466.db2.gz YMBOTFZNPNKHIV-JTQLQIEISA-N 0 3 295.343 0.885 20 5 CCBDHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000564099330 291266762 /nfs/dbraw/zinc/26/67/62/291266762.db2.gz IELJAPRZRDMMHD-JTQLQIEISA-N 0 3 272.305 0.039 20 5 CCBDHN CCCN1CC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000598343489 361392683 /nfs/dbraw/zinc/39/26/83/361392683.db2.gz WIHHHJLCJUNACV-SECBINFHSA-N 0 3 293.327 0.616 20 5 CCBDHN CCCN1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000598343490 361392691 /nfs/dbraw/zinc/39/26/91/361392691.db2.gz WIHHHJLCJUNACV-VIFPVBQESA-N 0 3 293.327 0.616 20 5 CCBDHN CC[C@@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000598535828 361441776 /nfs/dbraw/zinc/44/17/76/361441776.db2.gz IZOXXTJOXGQEMU-IONNQARKSA-N 0 3 281.316 0.839 20 5 CCBDHN CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000598535828 361441781 /nfs/dbraw/zinc/44/17/81/361441781.db2.gz IZOXXTJOXGQEMU-IONNQARKSA-N 0 3 281.316 0.839 20 5 CCBDHN COC(=O)c1ccnc(N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000598599227 361454429 /nfs/dbraw/zinc/45/44/29/361454429.db2.gz BAWAQUOJKGQOBN-UHFFFAOYSA-N 0 3 282.300 0.774 20 5 CCBDHN N[C@@H]1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565234234 291364489 /nfs/dbraw/zinc/36/44/89/291364489.db2.gz SHLZIZMBKRWJTO-QWHCGFSZSA-N 0 3 290.323 0.339 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000330905864 203374107 /nfs/dbraw/zinc/37/41/07/203374107.db2.gz MYEYCTNQPLSHPN-WDEREUQCSA-N 0 3 295.343 0.780 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000330916212 203386506 /nfs/dbraw/zinc/38/65/06/203386506.db2.gz UXQAPMZIEXKXRH-VHSXEESVSA-N 0 3 281.316 0.390 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CCN[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000262898101 190064519 /nfs/dbraw/zinc/06/45/19/190064519.db2.gz XKQPBKCWXKHVIH-IONNQARKSA-N 0 3 281.316 0.459 20 5 CCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000282918078 296256698 /nfs/dbraw/zinc/25/66/98/296256698.db2.gz GCUODZRQHBPCNC-MRVPVSSYSA-N 0 3 299.308 0.502 20 5 CCBDHN COCCN(C)C[C@@H](O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000517175984 249207300 /nfs/dbraw/zinc/20/73/00/249207300.db2.gz KKDBJAOGTNHNBH-SNVBAGLBSA-N 0 3 272.305 0.039 20 5 CCBDHN COC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266895593 190288361 /nfs/dbraw/zinc/28/83/61/190288361.db2.gz GLJHTCKUESLCPH-UHFFFAOYSA-N 0 3 254.290 0.902 20 5 CCBDHN COC(=O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267048241 190299543 /nfs/dbraw/zinc/29/95/43/190299543.db2.gz FPSNRLRSLZLAMO-SECBINFHSA-N 0 3 268.273 0.286 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](CO)C2)n1 ZINC000267127021 190305841 /nfs/dbraw/zinc/30/58/41/190305841.db2.gz BZXJSMZSOQPVJY-SNVBAGLBSA-N 0 3 254.290 0.496 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000268133250 190379168 /nfs/dbraw/zinc/37/91/68/190379168.db2.gz IUDXFLCWXZMEGS-IONNQARKSA-N 0 3 278.316 0.862 20 5 CCBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1CO ZINC000248973579 285094368 /nfs/dbraw/zinc/09/43/68/285094368.db2.gz TYYWISHEMUQEKW-ZJUUUORDSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@H](O)CN(CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000289377807 197319380 /nfs/dbraw/zinc/31/93/80/197319380.db2.gz BZSAXMOKTVUMCC-NSHDSACASA-N 0 3 284.312 0.649 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000479765973 285256075 /nfs/dbraw/zinc/25/60/75/285256075.db2.gz DXUVSFPWPTZZAI-KYZUINATSA-N 0 3 285.325 0.671 20 5 CCBDHN CN1CCC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000520826225 285275453 /nfs/dbraw/zinc/27/54/53/285275453.db2.gz GXFKMAIRKDLQLM-LLVKDONJSA-N 0 3 295.343 0.639 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@@]2(CCN(C)C2)C1 ZINC000292386781 388948314 /nfs/dbraw/zinc/94/83/14/388948314.db2.gz TVCNUUIAQJTRBI-GFCCVEGCSA-N 0 3 265.317 0.860 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](O)CC1 ZINC000293017683 388977210 /nfs/dbraw/zinc/97/72/10/388977210.db2.gz FDSTXIGSQWYXCM-GFCCVEGCSA-N 0 3 281.312 0.603 20 5 CCBDHN CC(C)CN(CCN(C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000355344347 389063890 /nfs/dbraw/zinc/06/38/90/389063890.db2.gz QVJKERNSTNXISY-UHFFFAOYSA-N 0 3 298.347 0.233 20 5 CCBDHN CN1CCN(C)[C@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000111841591 389115041 /nfs/dbraw/zinc/11/50/41/389115041.db2.gz XPNRQSXXRYHKQG-CQSZACIVSA-N 0 3 278.356 0.930 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CN1C1CC1 ZINC000356728138 389128095 /nfs/dbraw/zinc/12/80/95/389128095.db2.gz JPXBMFHQGQGYFG-IUCAKERBSA-N 0 3 293.327 0.683 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000358070350 389142221 /nfs/dbraw/zinc/14/22/21/389142221.db2.gz VEYQWOMKIZUHDZ-CYBMUJFWSA-N 0 3 297.286 0.530 20 5 CCBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](CO)C2)c1 ZINC000154351245 389312226 /nfs/dbraw/zinc/31/22/26/389312226.db2.gz DNONUSGJFATZGU-GWCFXTLKSA-N 0 3 266.297 0.942 20 5 CCBDHN Cc1nn(CCC(=O)N[C@H](C)CN(C)C)c(C)c1[N+](=O)[O-] ZINC000346224424 389324614 /nfs/dbraw/zinc/32/46/14/389324614.db2.gz NTHPLWQEYOFFSQ-SECBINFHSA-N 0 3 297.359 0.865 20 5 CCBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCCN(C)C1 ZINC000153784319 389308028 /nfs/dbraw/zinc/30/80/28/389308028.db2.gz WDRXFWRRCKKWBP-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN CC[C@@H](C)N(CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000347446964 389352865 /nfs/dbraw/zinc/35/28/65/389352865.db2.gz ADBWWTTYRUSCSN-LLVKDONJSA-N 0 3 283.328 0.849 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423499960 389595418 /nfs/dbraw/zinc/59/54/18/389595418.db2.gz JXYLMRSFQQISEW-NKWVEPMBSA-N 0 3 253.262 0.140 20 5 CCBDHN Cc1n[nH]c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000429407815 389755114 /nfs/dbraw/zinc/75/51/14/389755114.db2.gz KKKWRWNNZHTFDT-KNVOCYPGSA-N 0 3 267.289 0.449 20 5 CCBDHN Cc1[nH]nc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000429407815 389755115 /nfs/dbraw/zinc/75/51/15/389755115.db2.gz KKKWRWNNZHTFDT-KNVOCYPGSA-N 0 3 267.289 0.449 20 5 CCBDHN CN1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000386584208 389765898 /nfs/dbraw/zinc/76/58/98/389765898.db2.gz BDHRALHFCYWZGC-UHFFFAOYSA-N 0 3 251.290 0.500 20 5 CCBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCOC1 ZINC000352194898 389769059 /nfs/dbraw/zinc/76/90/59/389769059.db2.gz MLLYMOYTRPXNNT-JQWIXIFHSA-N 0 3 284.316 0.263 20 5 CCBDHN COCCNCC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000429979198 389778238 /nfs/dbraw/zinc/77/82/38/389778238.db2.gz ZWDAKPUSANMPCZ-UHFFFAOYSA-N 0 3 297.311 0.456 20 5 CCBDHN Nc1nc(NC[C@H]2CCCCN2C2CC2)ncc1[N+](=O)[O-] ZINC000433818422 389919814 /nfs/dbraw/zinc/91/98/14/389919814.db2.gz FBIOHWJZYBNPMO-SNVBAGLBSA-N 0 3 292.343 0.648 20 5 CCBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000434415823 389932924 /nfs/dbraw/zinc/93/29/24/389932924.db2.gz KZQKXVWEUUXELP-LLVKDONJSA-N 0 3 296.327 0.500 20 5 CCBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000420048450 389948303 /nfs/dbraw/zinc/94/83/03/389948303.db2.gz SPEWEFLBADPZPH-ZDUSSCGKSA-N 0 3 298.343 0.366 20 5 CCBDHN CN(C)C1(CN(C)C(=O)Cn2cnc([N+](=O)[O-])n2)CCC1 ZINC000438626615 390009377 /nfs/dbraw/zinc/00/93/77/390009377.db2.gz IJUFATCFRSFGBH-UHFFFAOYSA-N 0 3 296.331 0.129 20 5 CCBDHN CN(C[C@@H]1CCCN1C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000420632726 390018989 /nfs/dbraw/zinc/01/89/89/390018989.db2.gz IAHMWBXSWWNXQZ-QMMMGPOBSA-N 0 3 266.305 0.328 20 5 CCBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000457089155 390027471 /nfs/dbraw/zinc/02/74/71/390027471.db2.gz KXQLEEUWKCITQH-SECBINFHSA-N 0 3 281.316 0.873 20 5 CCBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000457091940 390027969 /nfs/dbraw/zinc/02/79/69/390027969.db2.gz NDHHJTFGDRDIGZ-VIFPVBQESA-N 0 3 281.316 0.873 20 5 CCBDHN C[C@H]1[C@@H](CO)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000488749175 390095904 /nfs/dbraw/zinc/09/59/04/390095904.db2.gz ROANFCXNTDQZNJ-VHSXEESVSA-N 0 3 254.290 0.494 20 5 CCBDHN COCCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCOC1 ZINC000490051349 390103813 /nfs/dbraw/zinc/10/38/13/390103813.db2.gz BSBBMKPMPYOVAV-NSHDSACASA-N 0 3 284.316 0.529 20 5 CCBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000540124513 390217339 /nfs/dbraw/zinc/21/73/39/390217339.db2.gz BSRXGJRUMKFSFM-JTQLQIEISA-N 0 3 295.343 0.885 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000579695431 390197957 /nfs/dbraw/zinc/19/79/57/390197957.db2.gz CCUAMSJUONXRCC-RYUDHWBXSA-N 0 3 293.323 0.650 20 5 CCBDHN Cc1n[nH]c(C(=O)NC[C@@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000523353881 390634811 /nfs/dbraw/zinc/63/48/11/390634811.db2.gz ARMLQNJNMGCNHX-MRVPVSSYSA-N 0 3 281.316 0.840 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000578534767 390890824 /nfs/dbraw/zinc/89/08/24/390890824.db2.gz VBIOGAKUNYEFMQ-SECBINFHSA-N 0 3 288.254 0.660 20 5 CCBDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356641058 144021936 /nfs/dbraw/zinc/02/19/36/144021936.db2.gz YFHYDGXCFLHRDC-UWVGGRQHSA-N 0 3 293.327 0.637 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000358051007 144145406 /nfs/dbraw/zinc/14/54/06/144145406.db2.gz QKPWZJAZQDIISW-LLVKDONJSA-N 0 3 285.325 0.453 20 5 CCBDHN COC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369692870 144276977 /nfs/dbraw/zinc/27/69/77/144276977.db2.gz OZMABBVLLNSSLU-UHFFFAOYSA-N 0 3 282.300 0.991 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000447257335 292181841 /nfs/dbraw/zinc/18/18/41/292181841.db2.gz RGCYWSRTFMADIZ-VIFPVBQESA-N 0 3 287.341 0.919 20 5 CCBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@@H]2C1 ZINC000284860538 196146328 /nfs/dbraw/zinc/14/63/28/196146328.db2.gz FHLBMVTZQPSQCF-WCBMZHEXSA-N 0 3 279.300 0.484 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000078570685 177355355 /nfs/dbraw/zinc/35/53/55/177355355.db2.gz QZEGKTDHNSXEFF-JTQLQIEISA-N 0 3 293.327 0.840 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000252403165 292588330 /nfs/dbraw/zinc/58/83/30/292588330.db2.gz BBVINGJUUZPHJO-JZYVYDRUSA-N 0 3 297.336 0.399 20 5 CCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N(C)C1CC1 ZINC000184297470 262278321 /nfs/dbraw/zinc/27/83/21/262278321.db2.gz XLAKBGMTHFKGTQ-MRVPVSSYSA-N 0 3 293.327 0.785 20 5 CCBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCN1 ZINC000423729755 274978873 /nfs/dbraw/zinc/97/88/73/274978873.db2.gz VPELFEALBGMCBB-NSHDSACASA-N 0 3 289.295 0.974 20 5 CCBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000355208992 277509585 /nfs/dbraw/zinc/50/95/85/277509585.db2.gz JABKNUNDXVWMKI-UHFFFAOYSA-N 0 3 284.316 0.573 20 5 CCBDHN Cc1n[nH]c(C(=O)NC2(CN(C)C)CCC2)c1[N+](=O)[O-] ZINC000281781819 280189454 /nfs/dbraw/zinc/18/94/54/280189454.db2.gz RPIYXZILZTYNAV-UHFFFAOYSA-N 0 3 281.316 0.840 20 5 CCBDHN Cc1ccnc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000517758695 292774695 /nfs/dbraw/zinc/77/46/95/292774695.db2.gz CGXLJNROCWQXBM-UWVGGRQHSA-N 0 3 291.311 0.046 20 5 CCBDHN CC(C)N1CCC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000581358745 336060130 /nfs/dbraw/zinc/06/01/30/336060130.db2.gz VAUREZSEGJXEPT-VIFPVBQESA-N 0 3 281.316 0.921 20 5 CCBDHN CN(C[C@H]1CCN(C)C1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356487085 523137939 /nfs/dbraw/zinc/13/79/39/523137939.db2.gz WHLDCNBDNSHAFZ-VIFPVBQESA-N 0 3 281.316 0.352 20 5 CCBDHN C[C@H]1CCN(C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000354018120 524279787 /nfs/dbraw/zinc/27/97/87/524279787.db2.gz DRCXTUKBYAPRJM-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN COC(=O)c1ccc(OC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000594695441 545102834 /nfs/dbraw/zinc/10/28/34/545102834.db2.gz GYZTXBSCBPBAMO-JTQLQIEISA-N 0 3 296.279 0.749 20 5 CCBDHN Cc1c(C(=O)NC[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000157352207 525622079 /nfs/dbraw/zinc/62/20/79/525622079.db2.gz IGZLUYBHJNSGJV-JTQLQIEISA-N 0 3 279.296 0.621 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H](O)c2ccco2)c1 ZINC000743259948 581805335 /nfs/dbraw/zinc/80/53/35/581805335.db2.gz RGJJSDBIGDYLMD-QWRGUYRKSA-N 0 3 296.283 0.068 20 5 CCBDHN COc1cc(NCCN(C)CCO)c([N+](=O)[O-])cc1OC ZINC000884825307 617207033 /nfs/dbraw/zinc/20/70/33/617207033.db2.gz PGYQDTZISORRAP-UHFFFAOYSA-N 0 3 299.327 0.948 20 5 CCBDHN CC(COC(=O)CN(C)C(=O)[C@H](C)n1cccn1)[N+](=O)[O-] ZINC000816090856 617300377 /nfs/dbraw/zinc/30/03/77/617300377.db2.gz ALTAFZLQJPEELY-UWVGGRQHSA-N 0 3 298.299 0.111 20 5 CCBDHN CC(C)N1C(=O)CC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000873532553 614311609 /nfs/dbraw/zinc/31/16/09/614311609.db2.gz JTANKSDYHIYODB-IUCAKERBSA-N 0 3 258.274 0.594 20 5 CCBDHN CCN(CC)C(=O)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107030 614961464 /nfs/dbraw/zinc/96/14/64/614961464.db2.gz KMZTUQWJBCGHCH-SECBINFHSA-N 0 3 260.290 0.843 20 5 CCBDHN CN(C)C1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865648435 615856905 /nfs/dbraw/zinc/85/69/05/615856905.db2.gz ASVULJAOVLOUOE-UHFFFAOYSA-N 0 3 269.276 0.976 20 5 CCBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000854945467 615908745 /nfs/dbraw/zinc/90/87/45/615908745.db2.gz RUYLBEPCKZUAII-UHFFFAOYSA-N 0 3 286.263 0.539 20 5 CCBDHN COCCOc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813099699 616590180 /nfs/dbraw/zinc/59/01/80/616590180.db2.gz AQXPCTIBJBBSQN-SECBINFHSA-N 0 3 284.268 0.929 20 5 CCBDHN CO[C@@H]1COCC[C@@H]1CC(=O)OCC(C)[N+](=O)[O-] ZINC000835456272 616785562 /nfs/dbraw/zinc/78/55/62/616785562.db2.gz UENMSSHYKJDFLK-IVZWLZJFSA-N 0 3 261.274 0.636 20 5 CCBDHN COC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])on1 ZINC000813111166 616831840 /nfs/dbraw/zinc/83/18/40/616831840.db2.gz PKUUUILRDLNRFN-YFKPBYRVSA-N 0 3 258.186 0.283 20 5 CCBDHN COC[C@@H](CCO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843082301 616850077 /nfs/dbraw/zinc/85/00/77/616850077.db2.gz BQDLQBMMXVPGCZ-DGCLKSJQSA-N 0 3 284.312 0.615 20 5 CCBDHN COCCN(C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823015528 616957849 /nfs/dbraw/zinc/95/78/49/616957849.db2.gz GPTKCHQJAOWBHG-UHFFFAOYSA-N 0 3 275.349 0.516 20 5 CCBDHN COC(=O)c1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108844 616985667 /nfs/dbraw/zinc/98/56/67/616985667.db2.gz MDQJHTUOZGALEE-SSDOTTSWSA-N 0 3 268.225 0.690 20 5 CCBDHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1cnn(C)c1 ZINC000813104848 617130690 /nfs/dbraw/zinc/13/06/90/617130690.db2.gz SINPENJTBBXLMT-IONNQARKSA-N 0 3 257.246 0.316 20 5 CCBDHN COCC[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000052808641 623064659 /nfs/dbraw/zinc/06/46/59/623064659.db2.gz WRKNFOJDHWXYGP-NSHDSACASA-N 0 3 281.312 0.917 20 5 CCBDHN CCN(CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351095 623369063 /nfs/dbraw/zinc/36/90/63/623369063.db2.gz AHPOAQOTJIYLQM-GFCCVEGCSA-N 0 3 254.286 0.942 20 5 CCBDHN CC(COC(=O)c1cn(CC2(C)COC2)nn1)[N+](=O)[O-] ZINC000813109221 624654557 /nfs/dbraw/zinc/65/45/57/624654557.db2.gz GZDKTESYDMYHFE-QMMMGPOBSA-N 0 3 284.272 0.137 20 5 CCBDHN O=C(N1CCCC1)N1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905255141 634827914 /nfs/dbraw/zinc/82/79/14/634827914.db2.gz JEFYUGFBKAUAQZ-LLVKDONJSA-N 0 3 270.333 0.533 20 5 CCBDHN CN(C[C@H]1CCCN1C)c1c([N+](=O)[O-])cnn1C ZINC000894249637 631631755 /nfs/dbraw/zinc/63/17/55/631631755.db2.gz YKGFTUUMOMFVHO-SECBINFHSA-N 0 3 253.306 0.859 20 5 CCBDHN C[C@H]1[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000928448610 631855011 /nfs/dbraw/zinc/85/50/11/631855011.db2.gz OPWQMYIWYRRVNJ-GXSJLCMTSA-N 0 3 295.343 0.735 20 5 CCBDHN CC(COC(=O)Cn1c(=O)cnc2ccccc21)[N+](=O)[O-] ZINC000813102875 641022616 /nfs/dbraw/zinc/02/26/16/641022616.db2.gz KTSZSNZMTMWSEQ-SECBINFHSA-N 0 3 291.263 0.605 20 5 CCBDHN CC(COC(=O)c1cnc2nccnc2c1)[N+](=O)[O-] ZINC000813106449 641023648 /nfs/dbraw/zinc/02/36/48/641023648.db2.gz CXSAVGIYRQIXGR-ZETCQYMHSA-N 0 3 262.225 0.847 20 5 CCBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)[N+](=O)[O-] ZINC000813107187 641023700 /nfs/dbraw/zinc/02/37/00/641023700.db2.gz METYFAVORORSEI-GXSJLCMTSA-N 0 3 284.312 0.843 20 5 CCBDHN CC(COC(=O)CNC(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813110981 641024565 /nfs/dbraw/zinc/02/45/65/641024565.db2.gz NOFMSGVUZKBZLL-MRVPVSSYSA-N 0 3 284.243 0.764 20 5 CCBDHN O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)C1CNC1)C2 ZINC000923630851 646145045 /nfs/dbraw/zinc/14/50/45/646145045.db2.gz CBOHBTHHJDEORI-UHFFFAOYSA-N 0 3 297.336 0.255 20 5 CCBDHN Cc1ccnc(NC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC000134273151 647716157 /nfs/dbraw/zinc/71/61/57/647716157.db2.gz ORLNGWLXUIDEOV-VIFPVBQESA-N 0 3 252.274 0.699 20 5 CCBDHN COc1ccc([C@H]2CN(CC[N+](=O)[O-])CCN2)cc1 ZINC000931546508 649003456 /nfs/dbraw/zinc/00/34/56/649003456.db2.gz HXPMRLZWELFGFQ-CYBMUJFWSA-N 0 3 265.313 0.918 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001153780715 800664498 /nfs/dbraw/zinc/66/44/98/800664498.db2.gz UEUZMPBURNFPJA-VHSXEESVSA-N 0 3 294.311 0.204 20 5 CCBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(N)n1)[C@H]1CNCCO1 ZINC001159496104 801821500 /nfs/dbraw/zinc/82/15/00/801821500.db2.gz BPJWIUDZCSANCI-IONNQARKSA-N 0 3 267.289 0.361 20 5 CCBDHN Nc1nc(N2CC[C@@H]3NCCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165270596 802809158 /nfs/dbraw/zinc/80/91/58/802809158.db2.gz GTARIYJQKWEIRN-WPRPVWTQSA-N 0 3 279.300 0.139 20 5 CCBDHN NC[C@H](N)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247691904 807477160 /nfs/dbraw/zinc/47/71/60/807477160.db2.gz IXLLSVVILCYRHF-YFKPBYRVSA-N 0 3 268.208 0.137 20 5 CCBDHN O=C1NCC[C@H]1N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567432 808261823 /nfs/dbraw/zinc/26/18/23/808261823.db2.gz OAIYEVDQSWZEHE-ZYHUDNBSSA-N 0 3 261.281 0.540 20 5 CCBDHN Cc1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])sc1C ZINC001126932395 815308233 /nfs/dbraw/zinc/30/82/33/815308233.db2.gz VWTDCBRMLUQYFB-NXEZZACHSA-N 0 3 298.368 0.631 20 5 CCBDHN Cc1nc(=N)n([C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1CN ZINC001169006311 836095444 /nfs/dbraw/zinc/09/54/44/836095444.db2.gz XGPQIFZVIPUOMR-ONGXEEELSA-N 0 3 265.317 0.748 20 5 CCBDHN CCOC(=O)C1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037274 836111081 /nfs/dbraw/zinc/11/10/81/836111081.db2.gz RTKGJFZCTXNRJS-KOLCDFICSA-N 0 3 256.302 0.927 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2nncc2CN)c1 ZINC001169312391 836192071 /nfs/dbraw/zinc/19/20/71/836192071.db2.gz WRCOZRLBCQPFGA-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CNCCO2)n1 ZINC001170559341 838084299 /nfs/dbraw/zinc/08/42/99/838084299.db2.gz WCTVRLYOOKHASD-WPRPVWTQSA-N 0 3 282.300 0.787 20 5 CCBDHN COc1ccc(N[C@H](C)[C@@H]2CNCCO2)nc1[N+](=O)[O-] ZINC001170563140 838111561 /nfs/dbraw/zinc/11/15/61/838111561.db2.gz KQKULLRHTCVIGN-SCZZXKLOSA-N 0 3 282.300 0.787 20 5 CCBDHN COc1cc(N[C@H](C)[C@H]2CNCCO2)cnc1[N+](=O)[O-] ZINC001170570242 838142612 /nfs/dbraw/zinc/14/26/12/838142612.db2.gz KYQLZRUVQIMOTA-LDYMZIIASA-N 0 3 282.300 0.787 20 5 CCBDHN CC(COC(=O)c1cc(C(N)=O)cs1)[N+](=O)[O-] ZINC000813100896 838676138 /nfs/dbraw/zinc/67/61/38/838676138.db2.gz XUQROKFZOZGEFY-RXMQYKEDSA-N 0 3 258.255 0.669 20 5 CCBDHN COc1cnc(N[C@@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001159501494 839336724 /nfs/dbraw/zinc/33/67/24/839336724.db2.gz ZKSXYUQEXUWDRE-KWQFWETISA-N 0 3 282.300 0.787 20 5 CCBDHN CC(C)N(C)CC(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093674383 841424521 /nfs/dbraw/zinc/42/45/21/841424521.db2.gz WLWKDCKSHXTMLE-UHFFFAOYSA-N 0 3 295.343 0.858 20 5 CCBDHN Cc1ccc(CNC[C@H](O)[C@H](C)O)cc1[N+](=O)[O-] ZINC000717289042 848217943 /nfs/dbraw/zinc/21/79/43/848217943.db2.gz SEFYYRRPZBELMU-CABZTGNLSA-N 0 3 254.286 0.735 20 5 CCBDHN C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1C ZINC000719497422 848848105 /nfs/dbraw/zinc/84/81/05/848848105.db2.gz SKDHZPFVKVXLJR-WCBMZHEXSA-N 0 3 278.312 0.999 20 5 CCBDHN O=C1NCCCC[C@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001120472763 857081078 /nfs/dbraw/zinc/08/10/78/857081078.db2.gz SJNYCXOKRXPHFP-OLZOCXBDSA-N 0 3 293.323 0.887 20 5 CCBDHN Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCCN1CCCO ZINC001324721312 912998400 /nfs/dbraw/zinc/99/84/00/912998400.db2.gz PLTXRYCCJBJBAQ-GFCCVEGCSA-N 0 3 294.355 0.979 20 5 CCBDHN CC(COC(=O)[C@@H]1CNC(=O)c2ccccc21)[N+](=O)[O-] ZINC000860777710 900747663 /nfs/dbraw/zinc/74/76/63/900747663.db2.gz UBJQZLSGZLNJDB-GZMMTYOYSA-N 0 3 278.264 0.722 20 5 CCBDHN C[C@H]1[C@@H](O)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001307774006 900947209 /nfs/dbraw/zinc/94/72/09/900947209.db2.gz CGYQLSLYCDHYET-LOWVWBTDSA-N 0 3 296.323 0.790 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@]12CCN(C1)CCC2 ZINC001288003315 905998644 /nfs/dbraw/zinc/99/86/44/905998644.db2.gz MDTIRZWSPKVCKZ-ZDUSSCGKSA-N 0 3 293.327 0.454 20 5 CCBDHN CN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001307225995 908299443 /nfs/dbraw/zinc/29/94/43/908299443.db2.gz VTHQYLRJHFKZDI-SECBINFHSA-N 0 3 293.327 0.985 20 5 CCBDHN CN(C)C(C)(C)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001334867180 919809859 /nfs/dbraw/zinc/80/98/59/919809859.db2.gz HRXXORDWZLAEQF-UHFFFAOYSA-N 0 3 296.327 0.213 20 5 CCBDHN Cc1cccc(C(=O)N[C@@H]2COC3(CNC3)C2)c1[N+](=O)[O-] ZINC001340613149 922141455 /nfs/dbraw/zinc/14/14/55/922141455.db2.gz BWTKDUKVZOQGMB-JTQLQIEISA-N 0 3 291.307 0.764 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC001340922967 922276921 /nfs/dbraw/zinc/27/69/21/922276921.db2.gz OIURWMNGPLZAPT-BDAKNGLRSA-N 0 3 281.316 0.309 20 5 CCBDHN CC[C@@H](C[N+](=O)[O-])OC(=O)C1CCCN(C2CC2)C1=O ZINC001345002907 923758442 /nfs/dbraw/zinc/75/84/42/923758442.db2.gz ZNLUJIIBNRXUHU-QWRGUYRKSA-N 0 3 284.312 0.986 20 5 CCBDHN Cc1cc(N2CC(N[C@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001472889607 926186786 /nfs/dbraw/zinc/18/67/86/926186786.db2.gz ZOSYSIVRZUQXFD-JTQLQIEISA-N 0 3 278.312 0.865 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@]2(CCOC2)C1 ZINC000090552198 349438982 /nfs/dbraw/zinc/43/89/82/349438982.db2.gz KDILLWZSUXATPT-CQSZACIVSA-N 0 3 293.323 0.869 20 5 CCBDHN CCOC(=O)CCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090524895 349439001 /nfs/dbraw/zinc/43/90/01/349439001.db2.gz QHQFYPYXZMPPDV-UHFFFAOYSA-N 0 3 297.311 0.642 20 5 CCBDHN C[C@@H](O)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090529744 349439026 /nfs/dbraw/zinc/43/90/26/349439026.db2.gz LTTIPEMCLISZLA-YPMHNXCESA-N 0 3 295.339 0.992 20 5 CCBDHN CC[C@]1(O)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000425932387 529442326 /nfs/dbraw/zinc/44/23/26/529442326.db2.gz PXFRYGOFTURXLJ-NSHDSACASA-N 0 3 254.290 0.638 20 5 CCBDHN Cn1cc(CN2CCCN(C)CC2)c([N+](=O)[O-])n1 ZINC000602424350 362609411 /nfs/dbraw/zinc/60/94/11/362609411.db2.gz KGCMDIZYMAKVMX-UHFFFAOYSA-N 0 3 253.306 0.466 20 5 CCBDHN CN(C)C[C@H]1CCCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000119489359 349938501 /nfs/dbraw/zinc/93/85/01/349938501.db2.gz LYRFMOYXPHVUCG-SNVBAGLBSA-N 0 3 295.343 0.885 20 5 CCBDHN Cn1cc(CN2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602716750 362765959 /nfs/dbraw/zinc/76/59/59/362765959.db2.gz CXYZEYUUUIKYAD-GXSJLCMTSA-N 0 3 266.301 0.797 20 5 CCBDHN Cn1cc(CN2CC[C@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000602840509 362829863 /nfs/dbraw/zinc/82/98/63/362829863.db2.gz NNQRTLQXUQYOOH-ONGXEEELSA-N 0 3 265.317 0.464 20 5 CCBDHN [NH3+]C1CC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000036265766 348161662 /nfs/dbraw/zinc/16/16/62/348161662.db2.gz ZHOUATIMEZOXJW-UHFFFAOYSA-N 0 3 271.298 0.363 20 5 CCBDHN C[NH2+]CCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000036298027 348164952 /nfs/dbraw/zinc/16/49/52/348164952.db2.gz POLLPPZMFMSDIP-UHFFFAOYSA-N 0 3 287.341 0.791 20 5 CCBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])n1C)C1CC1 ZINC000347563385 137342951 /nfs/dbraw/zinc/34/29/51/137342951.db2.gz ITNCSYFNZSFQRN-UHFFFAOYSA-N 0 3 266.301 0.757 20 5 CCBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000055083711 348569534 /nfs/dbraw/zinc/56/95/34/348569534.db2.gz QEEYAVGLLLMBCA-UHFFFAOYSA-N 0 3 252.274 0.749 20 5 CCBDHN C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N(C)C1CC1 ZINC000057707879 348614302 /nfs/dbraw/zinc/61/43/02/348614302.db2.gz DDARKNVBNOQFCF-SECBINFHSA-N 0 3 281.316 0.390 20 5 CCBDHN CCC1(O)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075859589 349054272 /nfs/dbraw/zinc/05/42/72/349054272.db2.gz RSYZIAALWVCWTR-GFCCVEGCSA-N 0 3 298.343 0.389 20 5 CCBDHN CN(C)CCN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000080394217 349212227 /nfs/dbraw/zinc/21/22/27/349212227.db2.gz ZSHCGLOFGZCWAM-UHFFFAOYSA-N 0 3 281.312 0.994 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1OC[C@@H]1CNCCO1 ZINC000080745189 349227750 /nfs/dbraw/zinc/22/77/50/349227750.db2.gz FMHSOKBTDCMFLU-JTQLQIEISA-N 0 3 268.269 0.971 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000173632674 351048739 /nfs/dbraw/zinc/04/87/39/351048739.db2.gz FVQBTTVKRZYRHI-PWSUYJOCSA-N 0 3 284.316 0.263 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000173663807 351049380 /nfs/dbraw/zinc/04/93/80/351049380.db2.gz JDQWRTKNMWQDCQ-KOLCDFICSA-N 0 3 286.357 0.590 20 5 CCBDHN COCCN(CCOC)CCn1ccc([N+](=O)[O-])n1 ZINC000176196937 351160515 /nfs/dbraw/zinc/16/05/15/351160515.db2.gz BAYVLCAJDCLTCG-UHFFFAOYSA-N 0 3 272.305 0.386 20 5 CCBDHN CC[C@@H](CO)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176270747 351165873 /nfs/dbraw/zinc/16/58/73/351165873.db2.gz BMZGQLNVFNVEFO-LBPRGKRZSA-N 0 3 297.359 0.180 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000227885406 352061698 /nfs/dbraw/zinc/06/16/98/352061698.db2.gz CAAFGRYNCZXZFH-MRVPVSSYSA-N 0 3 279.300 0.396 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@]2(O)CCOC2)c1 ZINC000229641027 352095058 /nfs/dbraw/zinc/09/50/58/352095058.db2.gz UVIMRMWMFWEUBI-GFCCVEGCSA-N 0 3 252.270 0.836 20 5 CCBDHN Cc1c(CNC(=O)CN2CCNCC2)cccc1[N+](=O)[O-] ZINC000231856218 352136189 /nfs/dbraw/zinc/13/61/89/352136189.db2.gz RHOKSDBGQXQQOO-UHFFFAOYSA-N 0 3 292.339 0.425 20 5 CCBDHN CCCC[C@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000236802453 352216906 /nfs/dbraw/zinc/21/69/06/352216906.db2.gz IALIIELDDZQLNC-JTQLQIEISA-N 0 3 269.305 0.425 20 5 CCBDHN Nc1ccn(CCN2CCCCC2)c(=O)c1[N+](=O)[O-] ZINC000603421158 363123838 /nfs/dbraw/zinc/12/38/38/363123838.db2.gz UGFBGIFEYKEGIQ-UHFFFAOYSA-N 0 3 266.301 0.825 20 5 CCBDHN Cn1cc(CN2CCNC[C@@](C)(F)C2)c([N+](=O)[O-])n1 ZINC000603429049 363128211 /nfs/dbraw/zinc/12/82/11/363128211.db2.gz LIQCRSWRVHRGRC-LLVKDONJSA-N 0 3 271.296 0.462 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000292255685 198219507 /nfs/dbraw/zinc/21/95/07/198219507.db2.gz HNJBGRRPMKHZHQ-UWVGGRQHSA-N 0 3 283.332 0.231 20 5 CCBDHN COCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000152536228 188026811 /nfs/dbraw/zinc/02/68/11/188026811.db2.gz NTGIHVXAEIZUHL-UHFFFAOYSA-N 0 3 285.300 0.886 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CN1C1CC1 ZINC000152974944 188056873 /nfs/dbraw/zinc/05/68/73/188056873.db2.gz BPVWWFGOUHRLPM-HTQZYQBOSA-N 0 3 279.300 0.673 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CN1C1CC1 ZINC000152974944 188056875 /nfs/dbraw/zinc/05/68/75/188056875.db2.gz BPVWWFGOUHRLPM-HTQZYQBOSA-N 0 3 279.300 0.673 20 5 CCBDHN Cc1cc(C(=O)NC[C@](C)(O)CN(C)C)cc([N+](=O)[O-])c1 ZINC000153062811 188062144 /nfs/dbraw/zinc/06/21/44/188062144.db2.gz BTTBGNMJGJGTNJ-AWEZNQCLSA-N 0 3 295.339 0.946 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000153118438 188065930 /nfs/dbraw/zinc/06/59/30/188065930.db2.gz JLFBUYPPHUVPIO-CYBMUJFWSA-N 0 3 281.312 0.637 20 5 CCBDHN CC(C)N(CCOCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000283814954 353531707 /nfs/dbraw/zinc/53/17/07/353531707.db2.gz YCKREWFTYJJNLA-UHFFFAOYSA-N 0 3 286.332 0.511 20 5 CCBDHN CN1CCC[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 ZINC000294180676 353876755 /nfs/dbraw/zinc/87/67/55/353876755.db2.gz OXZXZXCFOMEPIS-CYBMUJFWSA-N 0 3 293.327 0.876 20 5 CCBDHN Cc1nc(N[C@H](CO)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000295725446 353914650 /nfs/dbraw/zinc/91/46/50/353914650.db2.gz UXWFNUNRQGZVJK-NSHDSACASA-N 0 3 295.343 0.952 20 5 CCBDHN C[C@@H](NCCC(=O)NC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000298741973 353967755 /nfs/dbraw/zinc/96/77/55/353967755.db2.gz BWWVPLHTKWZUPW-MRVPVSSYSA-N 0 3 280.284 0.830 20 5 CCBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299162018 353996459 /nfs/dbraw/zinc/99/64/59/353996459.db2.gz SVWYJDORPIOGOL-UHFFFAOYSA-N 0 3 295.343 0.242 20 5 CCBDHN CN(C)[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000556974609 291019072 /nfs/dbraw/zinc/01/90/72/291019072.db2.gz CBUYHHUWRZPAOH-STQMWFEESA-N 0 3 293.323 0.271 20 5 CCBDHN CO[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000331267371 354511636 /nfs/dbraw/zinc/51/16/36/354511636.db2.gz JLYGSGUHKIOCRQ-KGYLQXTDSA-N 0 3 298.343 0.652 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCOCCN(C)C)n1 ZINC000427706060 235376218 /nfs/dbraw/zinc/37/62/18/235376218.db2.gz LCZIIUKNVQXSLT-UHFFFAOYSA-N 0 3 299.331 0.119 20 5 CCBDHN O=[N+]([O-])c1ccn(C2CCN([C@H]3COC[C@@H]3O)CC2)n1 ZINC000361382250 138033727 /nfs/dbraw/zinc/03/37/27/138033727.db2.gz UEGNQDGPRHZVHW-QWRGUYRKSA-N 0 3 282.300 0.188 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCC12CCCN1CCC2 ZINC000619574149 366286775 /nfs/dbraw/zinc/28/67/75/366286775.db2.gz UMCGTLKFWBYYJN-UHFFFAOYSA-N 0 3 293.327 0.687 20 5 CCBDHN COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000609269386 363486972 /nfs/dbraw/zinc/48/69/72/363486972.db2.gz OTTBPHCWIPERFQ-JTQLQIEISA-N 0 3 296.327 0.764 20 5 CCBDHN COCC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000609269386 363486976 /nfs/dbraw/zinc/48/69/76/363486976.db2.gz OTTBPHCWIPERFQ-JTQLQIEISA-N 0 3 296.327 0.764 20 5 CCBDHN CC(C)[C@@H](CCO)NCc1c([N+](=O)[O-])ncn1C ZINC000355063796 356563375 /nfs/dbraw/zinc/56/33/75/356563375.db2.gz XISYTUQEFPGOPE-SECBINFHSA-N 0 3 256.306 0.825 20 5 CCBDHN Cc1sc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000560633950 291109826 /nfs/dbraw/zinc/10/98/26/291109826.db2.gz CZFSLIXSGJAUNT-UWVGGRQHSA-N 0 3 299.352 0.712 20 5 CCBDHN CS(=O)(=O)NC1CC(NCc2cccc([N+](=O)[O-])c2)C1 ZINC000619748007 366347745 /nfs/dbraw/zinc/34/77/45/366347745.db2.gz PYOSDVNMRSGBBD-UHFFFAOYSA-N 0 3 299.352 0.765 20 5 CCBDHN CN(C)CCN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CC1 ZINC000356294970 356742473 /nfs/dbraw/zinc/74/24/73/356742473.db2.gz KQSJJEBTSGUDGY-UHFFFAOYSA-N 0 3 281.316 0.495 20 5 CCBDHN C[C@H]1C[C@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1C ZINC000356347275 356749248 /nfs/dbraw/zinc/74/92/48/356749248.db2.gz TTZZTIFFHYAGJM-VHSXEESVSA-N 0 3 296.331 0.127 20 5 CCBDHN NC(=O)C[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000358271725 283295092 /nfs/dbraw/zinc/29/50/92/283295092.db2.gz GJKZXPKXGYKNEZ-SNVBAGLBSA-N 0 3 281.316 0.521 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000408038266 357880488 /nfs/dbraw/zinc/88/04/88/357880488.db2.gz LVIAVQNZQIDULU-JQWIXIFHSA-N 0 3 295.343 0.233 20 5 CCBDHN C[C@H]1C[C@@H](O)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000452073812 236216424 /nfs/dbraw/zinc/21/64/24/236216424.db2.gz ZMISFBSPTSHTRZ-VHSXEESVSA-N 0 3 254.290 0.494 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000408322632 358034360 /nfs/dbraw/zinc/03/43/60/358034360.db2.gz UJTBIZFUFZHUPZ-UHFFFAOYSA-N 0 3 267.289 0.450 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000408322632 358034363 /nfs/dbraw/zinc/03/43/63/358034363.db2.gz UJTBIZFUFZHUPZ-UHFFFAOYSA-N 0 3 267.289 0.450 20 5 CCBDHN N[C@@H]1C[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000424064348 358208599 /nfs/dbraw/zinc/20/85/99/358208599.db2.gz JLKOTWQGGLHXCT-DTWKUNHWSA-N 0 3 264.285 0.470 20 5 CCBDHN N[C@@H]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569823776 358796565 /nfs/dbraw/zinc/79/65/65/358796565.db2.gz AIOAXQJDLJHVFD-QWHCGFSZSA-N 0 3 290.323 0.339 20 5 CCBDHN C[C@H]1COCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610990949 363643874 /nfs/dbraw/zinc/64/38/74/363643874.db2.gz WHLBACUXWUZVJQ-CMPLNLGQSA-N 0 3 284.316 0.263 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000588866925 359344629 /nfs/dbraw/zinc/34/46/29/359344629.db2.gz SWPGBYKTNNAZHI-SNVBAGLBSA-N 0 3 296.327 0.045 20 5 CCBDHN CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])nc3)[C@H]2C1 ZINC000590702202 359509646 /nfs/dbraw/zinc/50/96/46/359509646.db2.gz UMIOCKMPSYKMRU-NWDGAFQWSA-N 0 3 278.312 0.899 20 5 CCBDHN Cc1nn(C)c(N2C[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000590719052 359511845 /nfs/dbraw/zinc/51/18/45/359511845.db2.gz JAYJSHHMXHMDKY-ZJUUUORDSA-N 0 3 265.317 0.777 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCNCC1(C)C ZINC000591678346 359636775 /nfs/dbraw/zinc/63/67/75/359636775.db2.gz PMABRTAKIQFPQU-UHFFFAOYSA-N 0 3 295.343 0.700 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCOC2)c1 ZINC000591757101 359653995 /nfs/dbraw/zinc/65/39/95/359653995.db2.gz ZMHUJXDEQWKEDC-PWSUYJOCSA-N 0 3 282.296 0.713 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCCC[C@@H]1CO ZINC000594017152 360235507 /nfs/dbraw/zinc/23/55/07/360235507.db2.gz SHCLEAKBLCLOJB-CYBMUJFWSA-N 0 3 295.339 0.993 20 5 CCBDHN O=[N+]([O-])c1cc(F)ccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594603958 360338763 /nfs/dbraw/zinc/33/87/63/360338763.db2.gz PNFMPPOQCHXFGV-WDEREUQCSA-N 0 3 281.287 0.989 20 5 CCBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H](C)[NH3+] ZINC000595111784 360438515 /nfs/dbraw/zinc/43/85/15/360438515.db2.gz OBPYKMXTCOCEMR-NKWVEPMBSA-N 0 3 274.302 0.004 20 5 CCBDHN C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C ZINC000298609630 200482038 /nfs/dbraw/zinc/48/20/38/200482038.db2.gz UJHSVUPKLZUYEP-VIFPVBQESA-N 0 3 294.311 0.600 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@]2(OCCO)CCOC2)c1 ZINC000594975876 360429226 /nfs/dbraw/zinc/42/92/26/360429226.db2.gz WGKOWDOQQFBOED-CQSZACIVSA-N 0 3 296.323 0.852 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)[C@H]1O ZINC000595745328 360637730 /nfs/dbraw/zinc/63/77/30/360637730.db2.gz RFCJNTYMEDOXEF-DNIRFERGSA-N 0 3 298.343 0.101 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@]1(C)CO ZINC000595879838 360688337 /nfs/dbraw/zinc/68/83/37/360688337.db2.gz XPWOALLIWXMXEU-ZYHUDNBSSA-N 0 3 268.317 0.742 20 5 CCBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000596097034 360792949 /nfs/dbraw/zinc/79/29/49/360792949.db2.gz CZOTXTLHFGVAIK-UHFFFAOYSA-N 0 3 291.307 0.338 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596240882 360848946 /nfs/dbraw/zinc/84/89/46/360848946.db2.gz BBBWIADZMUBHEF-ZETCQYMHSA-N 0 3 256.262 0.030 20 5 CCBDHN CCc1nn(C)c(N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000596245308 360852244 /nfs/dbraw/zinc/85/22/44/360852244.db2.gz XHNHOJKKNFQCCE-MRVPVSSYSA-N 0 3 271.321 0.225 20 5 CCBDHN Cc1c(CN2C[C@@H](CO)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000599531212 361728423 /nfs/dbraw/zinc/72/84/23/361728423.db2.gz NATZIZXASOBHFP-STQMWFEESA-N 0 3 280.324 0.936 20 5 CCBDHN CN[C@@H](C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000565217009 291362378 /nfs/dbraw/zinc/36/23/78/291362378.db2.gz IFNCXESDMDHILB-VIFPVBQESA-N 0 3 267.285 0.698 20 5 CCBDHN Cc1nn(C)c(C(=O)NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000330677472 203106309 /nfs/dbraw/zinc/10/63/09/203106309.db2.gz BJEQGKYORYTPCU-UHFFFAOYSA-N 0 3 293.327 0.628 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000330908258 203376575 /nfs/dbraw/zinc/37/65/75/203376575.db2.gz OGYFSMJKPTXWPY-UWVGGRQHSA-N 0 3 281.316 0.390 20 5 CCBDHN CN(C)C[C@@H]1CCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000332717700 204924553 /nfs/dbraw/zinc/92/45/53/204924553.db2.gz QLFGGWZHBXRGAJ-VIFPVBQESA-N 0 3 281.316 0.495 20 5 CCBDHN CN(CCOCC1CC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000088599649 389013527 /nfs/dbraw/zinc/01/35/27/389013527.db2.gz ZDTVFKMMOMSBFV-ZDUSSCGKSA-N 0 3 298.343 0.511 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H](O)C3(CC3)C2)n1 ZINC000364436219 389264903 /nfs/dbraw/zinc/26/49/03/389264903.db2.gz WOOWBPUMKIYWEK-SECBINFHSA-N 0 3 252.274 0.248 20 5 CCBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CCN1C ZINC000361065169 389207073 /nfs/dbraw/zinc/20/70/73/389207073.db2.gz ILWXLPMKVLCKRH-DTWKUNHWSA-N 0 3 293.327 0.983 20 5 CCBDHN CN(C)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000130493854 389207288 /nfs/dbraw/zinc/20/72/88/389207288.db2.gz HPJAHJRBZFMPHS-UHFFFAOYSA-N 0 3 285.275 0.791 20 5 CCBDHN CCc1n[nH]c(C(=O)NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264568929 389336907 /nfs/dbraw/zinc/33/69/07/389336907.db2.gz WQJAPKGZUVHLRL-UHFFFAOYSA-N 0 3 281.316 0.704 20 5 CCBDHN NC(=O)CC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174842552 389531384 /nfs/dbraw/zinc/53/13/84/389531384.db2.gz FVMCUHVIIQBYIV-NSHDSACASA-N 0 3 295.343 0.769 20 5 CCBDHN CN(CCN(C)C1CC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274590546 389504052 /nfs/dbraw/zinc/50/40/52/389504052.db2.gz QLDXQAJJUXCQMX-UHFFFAOYSA-N 0 3 281.316 0.495 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CN(C)C)c1 ZINC000178726908 389617969 /nfs/dbraw/zinc/61/79/69/389617969.db2.gz WFFKKIYYCIICLL-AWEZNQCLSA-N 0 3 295.339 0.946 20 5 CCBDHN CN(CCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281904591 389633465 /nfs/dbraw/zinc/63/34/65/389633465.db2.gz QULJBVQMOVTCIM-LLVKDONJSA-N 0 3 284.312 0.649 20 5 CCBDHN CC1=CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000280689767 389603822 /nfs/dbraw/zinc/60/38/22/389603822.db2.gz AZSUWFQEVWIFLF-LBPRGKRZSA-N 0 3 266.301 0.804 20 5 CCBDHN O=[N+]([O-])c1cc(CNC[C@H]2CNCCO2)cs1 ZINC000415096461 389658630 /nfs/dbraw/zinc/65/86/30/389658630.db2.gz QAILUMFEWWYHPZ-SECBINFHSA-N 0 3 257.315 0.734 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CNCCO2)cc1 ZINC000415099420 389659442 /nfs/dbraw/zinc/65/94/42/389659442.db2.gz YJKCWNZWWUIINU-GFCCVEGCSA-N 0 3 251.286 0.673 20 5 CCBDHN C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000415382177 389679478 /nfs/dbraw/zinc/67/94/78/389679478.db2.gz KARHEDYPDZYKLF-IUCAKERBSA-N 0 3 279.300 0.626 20 5 CCBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1O ZINC000446078073 389930471 /nfs/dbraw/zinc/93/04/71/389930471.db2.gz LJDINMLUJMOTSY-NEPJUHHUSA-N 0 3 298.343 0.245 20 5 CCBDHN COCCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCO[C@H]1C ZINC000489438556 390100226 /nfs/dbraw/zinc/10/02/26/390100226.db2.gz XMXQLISPROLXAG-AAEUAGOBSA-N 0 3 298.343 0.917 20 5 CCBDHN C[C@@H]1OCC[C@@]1(C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000494270578 390161506 /nfs/dbraw/zinc/16/15/06/390161506.db2.gz IQIIJUUWEUKXCM-GXFFZTMASA-N 0 3 281.312 0.914 20 5 CCBDHN Cc1nn(C)c(C(=O)NC[C@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000539700570 390207872 /nfs/dbraw/zinc/20/78/72/390207872.db2.gz SYRZGUMIEXXAGM-VIFPVBQESA-N 0 3 295.343 0.851 20 5 CCBDHN COC(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000495950562 390273787 /nfs/dbraw/zinc/27/37/87/390273787.db2.gz OSYXDMMJHZHIQX-RKDXNWHRSA-N 0 3 274.273 0.673 20 5 CCBDHN COC(=O)N[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496137482 390307409 /nfs/dbraw/zinc/30/74/09/390307409.db2.gz NFRHWKSPOHSPHC-IUCAKERBSA-N 0 3 276.289 0.966 20 5 CCBDHN CN(C)C1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000571655254 390746678 /nfs/dbraw/zinc/74/66/78/390746678.db2.gz BZLABELFEROZQY-UHFFFAOYSA-N 0 3 279.300 0.226 20 5 CCBDHN C[C@H](CO)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000245568142 131087880 /nfs/dbraw/zinc/08/78/80/131087880.db2.gz FTGYYZOYYCSUJT-BXKDBHETSA-N 0 3 254.286 0.941 20 5 CCBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356488111 144007192 /nfs/dbraw/zinc/00/71/92/144007192.db2.gz XUZZVZFOXNQMTM-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC3(CCO3)CC2)c1 ZINC000548797471 286068823 /nfs/dbraw/zinc/06/88/23/286068823.db2.gz FSKDXIYMHPCMJZ-LBPRGKRZSA-N 0 3 296.327 0.407 20 5 CCBDHN CC(=O)NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000549698822 286096147 /nfs/dbraw/zinc/09/61/47/286096147.db2.gz IHSNCWLRQYYCEP-LBPRGKRZSA-N 0 3 297.311 0.060 20 5 CCBDHN COc1ccc(S(=O)(=O)[N-]CCC[NH3+])c([N+](=O)[O-])c1 ZINC000021517730 171314164 /nfs/dbraw/zinc/31/41/64/171314164.db2.gz NRIRDQBANLUFNR-UHFFFAOYSA-N 0 3 289.313 0.231 20 5 CCBDHN CC(C)N1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000285720645 196378137 /nfs/dbraw/zinc/37/81/37/196378137.db2.gz QENFQSHHLUIYLZ-WPRPVWTQSA-N 0 3 281.316 0.776 20 5 CCBDHN Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000285791704 196399889 /nfs/dbraw/zinc/39/98/89/196399889.db2.gz OYRFLGBKCVKBQE-UHFFFAOYSA-N 0 3 292.299 0.985 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000044668521 175226425 /nfs/dbraw/zinc/22/64/25/175226425.db2.gz IUJDIQHOZWWLON-JTQLQIEISA-N 0 3 281.316 0.392 20 5 CCBDHN CC1(C)COC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000451816693 278355432 /nfs/dbraw/zinc/35/54/32/278355432.db2.gz ZWYURHLQPQNJMH-NSHDSACASA-N 0 3 281.312 0.771 20 5 CCBDHN Cc1cncc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000584227037 327068845 /nfs/dbraw/zinc/06/88/45/327068845.db2.gz CDLJVKNDPNSELH-ZDUSSCGKSA-N 0 3 291.311 0.645 20 5 CCBDHN Cc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000391151554 328977563 /nfs/dbraw/zinc/97/75/63/328977563.db2.gz WWAQCBFNMPOSIP-ZDUSSCGKSA-N 0 3 291.311 0.645 20 5 CCBDHN NC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCC1 ZINC000575750418 335112027 /nfs/dbraw/zinc/11/20/27/335112027.db2.gz YXOXPPKVNYKRFA-UHFFFAOYSA-N 0 3 276.296 0.756 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2CC(F)(F)C2)c1 ZINC000565887934 334605952 /nfs/dbraw/zinc/60/59/52/334605952.db2.gz FFCSMNCPRICIHU-VIFPVBQESA-N 0 3 276.243 0.540 20 5 CCBDHN CC(C)[C@@H](N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000577392065 335347630 /nfs/dbraw/zinc/34/76/30/335347630.db2.gz LFMPCRAGNPRUEC-GFCCVEGCSA-N 0 3 295.343 0.938 20 5 CCBDHN CCN(CCO)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000183926782 521103155 /nfs/dbraw/zinc/10/31/55/521103155.db2.gz TUNBDZCXCZNMER-UHFFFAOYSA-N 0 3 295.339 0.568 20 5 CCBDHN COc1ccc(CNCCOCCO)cc1[N+](=O)[O-] ZINC000052925239 524071148 /nfs/dbraw/zinc/07/11/48/524071148.db2.gz SOYXOAIZFQTZGY-UHFFFAOYSA-N 0 3 270.285 0.702 20 5 CCBDHN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C2CC2)C1 ZINC000347009804 536012004 /nfs/dbraw/zinc/01/20/04/536012004.db2.gz KEWSJBACQPCDHV-LLVKDONJSA-N 0 3 293.327 0.486 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)CN(C)C)c1 ZINC000782271057 581294520 /nfs/dbraw/zinc/29/45/20/581294520.db2.gz WYEOORMTFCTWAA-JTQLQIEISA-N 0 3 297.311 0.716 20 5 CCBDHN C[NH+](C)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736766868 581832437 /nfs/dbraw/zinc/83/24/37/581832437.db2.gz GXIIYUUUSDRMMO-UHFFFAOYSA-N 0 3 292.303 0.534 20 5 CCBDHN C[NH+](C)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736766868 581832439 /nfs/dbraw/zinc/83/24/39/581832439.db2.gz GXIIYUUUSDRMMO-UHFFFAOYSA-N 0 3 292.303 0.534 20 5 CCBDHN CCN(CC)CCOC(=O)c1c([N+](=O)[O-])cnn1C ZINC000772236615 581848055 /nfs/dbraw/zinc/84/80/55/581848055.db2.gz RHEQGZXBZNTWGC-UHFFFAOYSA-N 0 3 270.289 0.827 20 5 CCBDHN COc1ccc(OC(=O)C2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000773982623 581951227 /nfs/dbraw/zinc/95/12/27/581951227.db2.gz JHZARJOFTVEWHH-VIFPVBQESA-N 0 3 294.263 0.987 20 5 CCBDHN O=[N+]([O-])c1cnc(NCC[NH2+]C2CC2)c(-c2nnn[n-]2)c1 ZINC000738374953 582040856 /nfs/dbraw/zinc/04/08/56/582040856.db2.gz UWFOAYVUZNMDNE-UHFFFAOYSA-N 0 3 290.287 0.334 20 5 CCBDHN O=[N+]([O-])c1cnc(NCC[NH2+]C2CC2)c(-c2nn[n-]n2)c1 ZINC000738374953 582040860 /nfs/dbraw/zinc/04/08/60/582040860.db2.gz UWFOAYVUZNMDNE-UHFFFAOYSA-N 0 3 290.287 0.334 20 5 CCBDHN C[C@@H](O)CN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585265 582081831 /nfs/dbraw/zinc/08/18/31/582081831.db2.gz STXHPPXLBFSWEO-BXKDBHETSA-N 0 3 254.286 0.941 20 5 CCBDHN CN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000899725663 616106606 /nfs/dbraw/zinc/10/66/06/616106606.db2.gz BNSQQXHKHAYECP-UHFFFAOYSA-N 0 3 267.285 0.249 20 5 CCBDHN C[NH+]1CCC(O[N-]C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000846651155 616176013 /nfs/dbraw/zinc/17/60/13/616176013.db2.gz JFNXLIKUEDIBGV-UHFFFAOYSA-N 0 3 273.333 0.964 20 5 CCBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000874842586 616216443 /nfs/dbraw/zinc/21/64/43/616216443.db2.gz JACRHIIWVDRYLI-MNOVXSKESA-N 0 3 293.327 0.486 20 5 CCBDHN CN1CCN(C)CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000897095708 616237055 /nfs/dbraw/zinc/23/70/55/616237055.db2.gz VQFQOHGENVESGS-UHFFFAOYSA-N 0 3 294.359 0.256 20 5 CCBDHN CN1CC[C@@](O)(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804614723 616351374 /nfs/dbraw/zinc/35/13/74/616351374.db2.gz BVDAFDPACTZQSF-GFCCVEGCSA-N 0 3 296.283 0.982 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816951734 616359958 /nfs/dbraw/zinc/35/99/58/616359958.db2.gz VHQNURSEDCEGRG-GXFFZTMASA-N 0 3 290.323 0.953 20 5 CCBDHN COCCN1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823186313 616389572 /nfs/dbraw/zinc/38/95/72/616389572.db2.gz VTLYAWDYNQAGFK-LLVKDONJSA-N 0 3 287.360 0.659 20 5 CCBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CC[N+](=O)[O-])C1 ZINC000929354903 616494148 /nfs/dbraw/zinc/49/41/48/616494148.db2.gz LNWWUNPRVUYCCC-WDEREUQCSA-N 0 3 273.333 0.126 20 5 CCBDHN COCCOc1ncccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103255 616599521 /nfs/dbraw/zinc/59/95/21/616599521.db2.gz BFJSYLJCZPBNNZ-SECBINFHSA-N 0 3 284.268 0.929 20 5 CCBDHN CO[C@@H]1COCC[C@H]1CC(=O)OCC(C)[N+](=O)[O-] ZINC000835456275 616803544 /nfs/dbraw/zinc/80/35/44/616803544.db2.gz UENMSSHYKJDFLK-KXUCPTDWSA-N 0 3 261.274 0.636 20 5 CCBDHN COC(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000851036994 616818907 /nfs/dbraw/zinc/81/89/07/616818907.db2.gz PHMZZKGWOHMIFO-MRVPVSSYSA-N 0 3 274.273 0.673 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@@H]2CCCN2C)c1 ZINC000916685803 616871625 /nfs/dbraw/zinc/87/16/25/616871625.db2.gz QQGGLLLJUAIBKW-JTQLQIEISA-N 0 3 295.295 0.637 20 5 CCBDHN CC(COC(=O)c1c[nH]nc1-c1cnn(C)c1)[N+](=O)[O-] ZINC000813102675 624648655 /nfs/dbraw/zinc/64/86/55/624648655.db2.gz IPAFNYZVCDJAMF-ZETCQYMHSA-N 0 3 279.256 0.632 20 5 CCBDHN CC(COC(=O)[C@H]1CC(=O)N(C2CC2)C1)[N+](=O)[O-] ZINC000813108713 624654260 /nfs/dbraw/zinc/65/42/60/624654260.db2.gz KVXKGJJUSCETCC-YUMQZZPRSA-N 0 3 256.258 0.206 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCNCC1(C)C ZINC000911847782 636421235 /nfs/dbraw/zinc/42/12/35/636421235.db2.gz PQAKWXFZGZUSPW-UHFFFAOYSA-N 0 3 281.316 0.310 20 5 CCBDHN CC(COC(=O)c1cn(C)nc1-c1cnn(C)c1)[N+](=O)[O-] ZINC000813105032 641021680 /nfs/dbraw/zinc/02/16/80/641021680.db2.gz UGUFJKAXHSVSHF-MRVPVSSYSA-N 0 3 293.283 0.643 20 5 CCBDHN CC(COC(=O)C[C@H]1Oc2ccccc2NC1=O)[N+](=O)[O-] ZINC000813106593 641023005 /nfs/dbraw/zinc/02/30/05/641023005.db2.gz FQPWOWSDEQTBTP-LDYMZIIASA-N 0 3 294.263 0.985 20 5 CCBDHN CC(COC(=O)Cn1ncc2ccccc2c1=O)[N+](=O)[O-] ZINC000813108533 641023082 /nfs/dbraw/zinc/02/30/82/641023082.db2.gz GZASNLDPFMSRHV-VIFPVBQESA-N 0 3 291.263 0.605 20 5 CCBDHN CC(COC(=O)COc1ccc(C(N)=O)cc1)[N+](=O)[O-] ZINC000813106965 641023251 /nfs/dbraw/zinc/02/32/51/641023251.db2.gz JCOUCWVWGGFXMD-MRVPVSSYSA-N 0 3 282.252 0.373 20 5 CCBDHN CC(COC(=O)[C@H](C)n1nnnc1C(C)(C)C)[N+](=O)[O-] ZINC000813110455 641024462 /nfs/dbraw/zinc/02/44/62/641024462.db2.gz AYNYCUYDESLZFN-YUMQZZPRSA-N 0 3 285.304 0.740 20 5 CCBDHN Cc1cccn2c(=O)c(C(=O)OCC(C)[N+](=O)[O-])cnc12 ZINC000813111163 641024638 /nfs/dbraw/zinc/02/46/38/641024638.db2.gz PKNSJNANAWXHKQ-SECBINFHSA-N 0 3 291.263 0.825 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000830111220 642231712 /nfs/dbraw/zinc/23/17/12/642231712.db2.gz MADMAGNEFJXIEF-SCZZXKLOSA-N 0 3 281.316 0.309 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000134254061 647714325 /nfs/dbraw/zinc/71/43/25/647714325.db2.gz UDHLEGPTAQAAQY-LLVKDONJSA-N 0 3 265.269 0.313 20 5 CCBDHN Cc1cc(NCCN(C)CCO)ncc1[N+](=O)[O-] ZINC000884824860 647807872 /nfs/dbraw/zinc/80/78/72/647807872.db2.gz SMNYZMHASLMKOV-UHFFFAOYSA-N 0 3 254.290 0.634 20 5 CCBDHN O=[N+]([O-])c1ncccc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000886247626 647933288 /nfs/dbraw/zinc/93/32/88/647933288.db2.gz WNXCKGGTJDBRFT-VXGBXAGGSA-N 0 3 281.312 0.867 20 5 CCBDHN O=[N+]([O-])CCN1CCC[C@H](CN2CCOCC2)C1 ZINC000930345812 648852154 /nfs/dbraw/zinc/85/21/54/648852154.db2.gz SFGFUEHATLPOHK-LBPRGKRZSA-N 0 3 257.334 0.307 20 5 CCBDHN CCN1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2C)C[C@H]1C ZINC001121298445 799030298 /nfs/dbraw/zinc/03/02/98/799030298.db2.gz HLIOBXNFCDNBTC-NXEZZACHSA-N 0 3 282.348 0.511 20 5 CCBDHN COC(=O)c1cnc(-n2nccc2CN)c([N+](=O)[O-])c1 ZINC001155125732 800915505 /nfs/dbraw/zinc/91/55/05/800915505.db2.gz XQENIGCDBREJIB-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCNC2(CC2)C1 ZINC001158933375 801725032 /nfs/dbraw/zinc/72/50/32/801725032.db2.gz NMNHXMBVLKUOFM-UHFFFAOYSA-N 0 3 292.295 0.719 20 5 CCBDHN Cc1ncc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CNCCO2)n1 ZINC001159495112 801820799 /nfs/dbraw/zinc/82/07/99/801820799.db2.gz CVSQMXFKWKPURL-XVKPBYJWSA-N 0 3 267.289 0.482 20 5 CCBDHN COC(=O)c1cc(C)nc(-n2cnc(CN)c2)c1[N+](=O)[O-] ZINC001162298366 802305104 /nfs/dbraw/zinc/30/51/04/802305104.db2.gz GHFFAARWEYZZOR-UHFFFAOYSA-N 0 3 291.267 0.729 20 5 CCBDHN NCc1cn(-c2cccc3ncc([N+](=O)[O-])n32)cn1 ZINC001162304813 802312085 /nfs/dbraw/zinc/31/20/85/802312085.db2.gz SVWVUEHKERSZQV-UHFFFAOYSA-N 0 3 258.241 0.887 20 5 CCBDHN CS(=O)(=O)c1ccc(-n2nccc2CN)c([N+](=O)[O-])c1 ZINC001162597780 802373987 /nfs/dbraw/zinc/37/39/87/802373987.db2.gz SGZPVTUYKNTYGY-UHFFFAOYSA-N 0 3 296.308 0.643 20 5 CCBDHN Cc1cc(N(C)S(=O)(=O)CCN)ncc1[N+](=O)[O-] ZINC001164296711 802711616 /nfs/dbraw/zinc/71/16/16/802711616.db2.gz MFIMMQPSIMURTD-UHFFFAOYSA-N 0 3 274.302 0.023 20 5 CCBDHN COc1ncnc(-n2cnc3c2CNCC3)c1[N+](=O)[O-] ZINC001164313054 820827078 /nfs/dbraw/zinc/82/70/78/820827078.db2.gz AFZOMOCRPXCMSZ-UHFFFAOYSA-N 0 3 276.256 0.225 20 5 CCBDHN COCCN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169014384 836098630 /nfs/dbraw/zinc/09/86/30/836098630.db2.gz YWLSWBIQKCLJPO-QWHCGFSZSA-N 0 3 271.361 0.696 20 5 CCBDHN CN(C1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)[C@@H]1CCOC1 ZINC001169033878 836108828 /nfs/dbraw/zinc/10/88/28/836108828.db2.gz DMJCHIIJXNMBNR-JHJVBQTASA-N 0 3 283.372 0.837 20 5 CCBDHN COC(=O)CC1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037734 836111823 /nfs/dbraw/zinc/11/18/23/836111823.db2.gz TXQUYTCRQHYNKD-GXSJLCMTSA-N 0 3 256.302 0.927 20 5 CCBDHN CNC(=O)CN[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170295236 837285814 /nfs/dbraw/zinc/28/58/14/837285814.db2.gz BOZIYAWVOLFEIU-VIFPVBQESA-N 0 3 281.312 0.870 20 5 CCBDHN C[C@@H](Nc1cnc([N+](=O)[O-])cn1)[C@@H]1CNCCO1 ZINC001170572198 838147712 /nfs/dbraw/zinc/14/77/12/838147712.db2.gz PIOGIWVXIZJGFZ-SFYZADRCSA-N 0 3 253.262 0.174 20 5 CCBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159496580 839317508 /nfs/dbraw/zinc/31/75/08/839317508.db2.gz KGJAMZHZLGDXBP-GMSGAONNSA-N 0 3 297.271 0.687 20 5 CCBDHN CCNC(=O)C(C)(C)NCCn1cc([N+](=O)[O-])cn1 ZINC001170903566 839554141 /nfs/dbraw/zinc/55/41/41/839554141.db2.gz BNRLKRKDCQRTTC-UHFFFAOYSA-N 0 3 269.305 0.296 20 5 CCBDHN CC(C)N(C)CC(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093674303 841423836 /nfs/dbraw/zinc/42/38/36/841423836.db2.gz UVRHUBDPTYZDGZ-UHFFFAOYSA-N 0 3 295.343 0.858 20 5 CCBDHN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC001187662569 844743050 /nfs/dbraw/zinc/74/30/50/844743050.db2.gz GWQLDGAQHZTVCV-RNFRBKRXSA-N 0 3 252.278 0.472 20 5 CCBDHN Cn1cc(CN2C[C@@H]3CCC[C@]3(C(N)=O)C2)c([N+](=O)[O-])n1 ZINC001198194531 847069271 /nfs/dbraw/zinc/06/92/71/847069271.db2.gz HDVWGKHLVYOJHE-GWCFXTLKSA-N 0 3 293.327 0.416 20 5 CCBDHN CC(C)c1n[nH]c(C(=O)NOCCN(C)C)c1[N+](=O)[O-] ZINC001118703136 856402493 /nfs/dbraw/zinc/40/24/93/856402493.db2.gz PBVVBQRDFHWDSX-UHFFFAOYSA-N 0 3 285.304 0.664 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CNCCO1)C2 ZINC001330584384 903893177 /nfs/dbraw/zinc/89/31/77/903893177.db2.gz JJNGDGXSHHHQSB-ZDUSSCGKSA-N 0 3 263.297 0.899 20 5 CCBDHN CCN1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C1 ZINC001335001452 906512971 /nfs/dbraw/zinc/51/29/71/906512971.db2.gz DRTFVDQWVHVTMJ-VIFPVBQESA-N 0 3 281.316 0.874 20 5 CCBDHN Cc1oncc1CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001321056747 911054980 /nfs/dbraw/zinc/05/49/80/911054980.db2.gz KGASKJKUTORPEL-JDEDCZITSA-N 0 3 294.311 0.410 20 5 CCBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1COC2(CNC2)C1 ZINC001342216381 922863599 /nfs/dbraw/zinc/86/35/99/922863599.db2.gz VYWMIKQEYSFWMZ-LLVKDONJSA-N 0 3 291.307 0.384 20 5 CCBDHN O=[N+]([O-])CCNC[C@]1(CO)CCc2ccccc21 ZINC001346298857 924150177 /nfs/dbraw/zinc/15/01/77/924150177.db2.gz JFLPPMDZGPRVCF-ZDUSSCGKSA-N 0 3 250.298 0.729 20 5 CCBDHN C[C@@H]([NH3+])CO[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001357724829 926588147 /nfs/dbraw/zinc/58/81/47/926588147.db2.gz DAXJUCMTGZAKQG-ZCFIWIBFSA-N 0 3 257.221 0.743 20 5 CCBDHN O=[N+]([O-])c1cccc(OCCN(CCO)CCO)c1 ZINC000104194701 349711404 /nfs/dbraw/zinc/71/14/04/349711404.db2.gz UOWCDVBPJWJGRE-UHFFFAOYSA-N 0 3 270.285 0.260 20 5 CCBDHN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111302433 349770225 /nfs/dbraw/zinc/77/02/25/349770225.db2.gz MVJLAOSJLQDCBB-SSDOTTSWSA-N 0 3 259.287 0.220 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@H]2COCCN2)cc1 ZINC000600679111 362032151 /nfs/dbraw/zinc/03/21/51/362032151.db2.gz ZOVZQPXSMLJWIR-NSHDSACASA-N 0 3 251.286 0.673 20 5 CCBDHN C[C@@H]1CCC[C@H](CO)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305234896 232011477 /nfs/dbraw/zinc/01/14/77/232011477.db2.gz NEIXVOZHUHCYGZ-NQBHXWOUSA-N 0 3 298.343 0.388 20 5 CCBDHN C[C@H]1OCC[C@H]1N(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000361562157 232154213 /nfs/dbraw/zinc/15/42/13/232154213.db2.gz HYQDAAPSKGAILJ-ZYHUDNBSSA-N 0 3 284.316 0.263 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C1(CO)CCC1 ZINC000602842470 362831389 /nfs/dbraw/zinc/83/13/89/362831389.db2.gz VFPFGXDLNAKHJR-UHFFFAOYSA-N 0 3 268.317 0.947 20 5 CCBDHN CCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000343634078 137146602 /nfs/dbraw/zinc/14/66/02/137146602.db2.gz FWJPRJKDJXIKSG-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN CC(C)C(=O)NCCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040801311 348241587 /nfs/dbraw/zinc/24/15/87/348241587.db2.gz CHDYVUVTBLEFJS-CYBMUJFWSA-N 0 3 295.339 0.990 20 5 CCBDHN CC(C)(N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040925385 348246165 /nfs/dbraw/zinc/24/61/65/348246165.db2.gz ODKCHZWSJFCGKC-UHFFFAOYSA-N 0 3 293.327 0.376 20 5 CCBDHN COC(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000346693778 137300042 /nfs/dbraw/zinc/30/00/42/137300042.db2.gz PQHXPUGGOFVLAJ-KOLCDFICSA-N 0 3 282.300 0.675 20 5 CCBDHN C[C@]1(CO)C[C@H](O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000602906758 362880188 /nfs/dbraw/zinc/88/01/88/362880188.db2.gz KBEMAIYWHCQPFD-GXTWGEPZSA-N 0 3 296.323 0.791 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1CO ZINC000050116396 348468568 /nfs/dbraw/zinc/46/85/68/348468568.db2.gz BURDAHHIQYJFQK-JTQLQIEISA-N 0 3 254.290 0.556 20 5 CCBDHN C[C@@H]1CNCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000054375020 348555298 /nfs/dbraw/zinc/55/52/98/348555298.db2.gz RGHYVZMMHZQMOD-SECBINFHSA-N 0 3 299.352 0.796 20 5 CCBDHN COCCNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000062730739 348669079 /nfs/dbraw/zinc/66/90/79/348669079.db2.gz PUOJQQRYEFAOQN-UHFFFAOYSA-N 0 3 298.295 0.883 20 5 CCBDHN COc1ccc(C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000075242428 349028482 /nfs/dbraw/zinc/02/84/82/349028482.db2.gz ASXNLHAKDSEMDU-UHFFFAOYSA-N 0 3 267.285 0.895 20 5 CCBDHN CC[C@@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000083494619 349306493 /nfs/dbraw/zinc/30/64/93/349306493.db2.gz XNKCBNLJFFRGOY-SECBINFHSA-N 0 3 267.285 0.957 20 5 CCBDHN C[C@H](O)CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000132211443 350300912 /nfs/dbraw/zinc/30/09/12/350300912.db2.gz ISKRCNVPNSGQON-VIFPVBQESA-N 0 3 255.274 0.069 20 5 CCBDHN CC[C@@](C)(NCCn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000134024672 350351405 /nfs/dbraw/zinc/35/14/05/350351405.db2.gz ASDLZVWBVKUHQZ-SNVBAGLBSA-N 0 3 255.278 0.035 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])s1 ZINC000134257996 350358009 /nfs/dbraw/zinc/35/80/09/350358009.db2.gz LBPMZNFFYAKRJF-ZETCQYMHSA-N 0 3 271.298 0.375 20 5 CCBDHN COc1ccc(CN[C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000135723375 350407364 /nfs/dbraw/zinc/40/73/64/350407364.db2.gz FXYJCLZAXVLCMA-QMMMGPOBSA-N 0 3 267.285 0.957 20 5 CCBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)C(N)=O ZINC000618619940 366062764 /nfs/dbraw/zinc/06/27/64/366062764.db2.gz BFWZPOOCMFSPSP-RKDXNWHRSA-N 0 3 294.311 0.775 20 5 CCBDHN Cc1cc(S(=O)(=O)N[C@H]2CCCNC2)ccc1[N+](=O)[O-] ZINC000193350038 351823774 /nfs/dbraw/zinc/82/37/74/351823774.db2.gz YOOKBFWJAFVLOK-JTQLQIEISA-N 0 3 299.352 0.934 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@@]2(O)CCOC2)c1 ZINC000229641021 352095002 /nfs/dbraw/zinc/09/50/02/352095002.db2.gz UVIMRMWMFWEUBI-LBPRGKRZSA-N 0 3 252.270 0.836 20 5 CCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245895168 352340538 /nfs/dbraw/zinc/34/05/38/352340538.db2.gz SHZSPWNOKGPLBU-RKDXNWHRSA-N 0 3 281.316 0.730 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCS[C@H]3COCC[C@H]32)c1 ZINC000247345690 352411133 /nfs/dbraw/zinc/41/11/33/352411133.db2.gz XUWONJZUSLHRJT-NEPJUHHUSA-N 0 3 298.368 0.998 20 5 CCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000247471843 352415887 /nfs/dbraw/zinc/41/58/87/352415887.db2.gz RYNMDDUYCYWODN-ZYHUDNBSSA-N 0 3 295.343 0.590 20 5 CCBDHN CN1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000267059440 352741713 /nfs/dbraw/zinc/74/17/13/352741713.db2.gz GVCZBOGDYNSRNU-UHFFFAOYSA-N 0 3 299.352 0.843 20 5 CCBDHN COCCNCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135630829 187844566 /nfs/dbraw/zinc/84/45/66/187844566.db2.gz OLTTZWKTTGWWLK-UHFFFAOYSA-N 0 3 281.312 0.869 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000268133248 352810442 /nfs/dbraw/zinc/81/04/42/352810442.db2.gz IUDXFLCWXZMEGS-CBAPKCEASA-N 0 3 278.316 0.862 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000268133246 352810126 /nfs/dbraw/zinc/81/01/26/352810126.db2.gz IUDXFLCWXZMEGS-APPZFPTMSA-N 0 3 278.316 0.862 20 5 CCBDHN C[C@H](O)CCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000269855312 352881327 /nfs/dbraw/zinc/88/13/27/352881327.db2.gz HRLHDISCZBBKNR-JTQLQIEISA-N 0 3 269.301 0.459 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271099444 353022808 /nfs/dbraw/zinc/02/28/08/353022808.db2.gz JUQOHRBOAYXYPO-SECBINFHSA-N 0 3 281.316 0.542 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272642284 353082008 /nfs/dbraw/zinc/08/20/08/353082008.db2.gz LUJWTAHVEBIOSD-ZDUSSCGKSA-N 0 3 296.327 0.219 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000272707506 353086893 /nfs/dbraw/zinc/08/68/93/353086893.db2.gz ZZYCVFJXEJWAOH-VHSXEESVSA-N 0 3 293.327 0.793 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000272707506 353086897 /nfs/dbraw/zinc/08/68/97/353086897.db2.gz ZZYCVFJXEJWAOH-VHSXEESVSA-N 0 3 293.327 0.793 20 5 CCBDHN Cc1cc(C(=O)NC[C@@](C)(O)CN(C)C)cc([N+](=O)[O-])c1 ZINC000153062919 188062847 /nfs/dbraw/zinc/06/28/47/188062847.db2.gz BTTBGNMJGJGTNJ-CQSZACIVSA-N 0 3 295.339 0.946 20 5 CCBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cn[nH]c1 ZINC000275144627 353188406 /nfs/dbraw/zinc/18/84/06/353188406.db2.gz FHRSQLAIDMBNLB-MRVPVSSYSA-N 0 3 250.262 0.865 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCN[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000277546609 353249817 /nfs/dbraw/zinc/24/98/17/353249817.db2.gz XXBRLMIGRAFQTQ-POYBYMJQSA-N 0 3 267.289 0.449 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCN[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000277546609 353249819 /nfs/dbraw/zinc/24/98/19/353249819.db2.gz XXBRLMIGRAFQTQ-POYBYMJQSA-N 0 3 267.289 0.449 20 5 CCBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000157509921 188322089 /nfs/dbraw/zinc/32/20/89/188322089.db2.gz UBCNUKRGAFCAMT-UHFFFAOYSA-N 0 3 298.339 0.896 20 5 CCBDHN CNC(=O)[C@@]1(C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000280495135 353365059 /nfs/dbraw/zinc/36/50/59/353365059.db2.gz AXEPPCUMEIIYCJ-LBPRGKRZSA-N 0 3 281.316 0.249 20 5 CCBDHN C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N(C)C ZINC000290559932 353734631 /nfs/dbraw/zinc/73/46/31/353734631.db2.gz RQQFVXDXQXZYKJ-SSDOTTSWSA-N 0 3 267.289 0.451 20 5 CCBDHN CO[C@H]1COC[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000290207924 353714939 /nfs/dbraw/zinc/71/49/39/353714939.db2.gz UVQILTXAQYRTKY-AVGNSLFASA-N 0 3 282.296 0.632 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000293421667 353810963 /nfs/dbraw/zinc/81/09/63/353810963.db2.gz NDFDHJAHKUWCKF-KKZNHRDASA-N 0 3 254.290 0.492 20 5 CCBDHN O=C(N[C@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000296408071 353946189 /nfs/dbraw/zinc/94/61/89/353946189.db2.gz KEWQCAUCBLDAAH-JTQLQIEISA-N 0 3 296.327 0.500 20 5 CCBDHN C[C@H]1CCOCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305758455 354159691 /nfs/dbraw/zinc/15/96/91/354159691.db2.gz CGJHAAJSVFHFLB-CMPLNLGQSA-N 0 3 284.316 0.263 20 5 CCBDHN CCN(CCOCCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000312721465 354209712 /nfs/dbraw/zinc/20/97/12/354209712.db2.gz GNULBSRCQSPVRO-UHFFFAOYSA-N 0 3 286.332 0.431 20 5 CCBDHN Cc1ccoc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000312730699 354210047 /nfs/dbraw/zinc/21/00/47/354210047.db2.gz SLCJNNQFUXKOSV-NSHDSACASA-N 0 3 280.284 0.843 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCC[C@@H]1CCO ZINC000330582408 354424631 /nfs/dbraw/zinc/42/46/31/354424631.db2.gz SGKWSIAQRLBMQJ-NXEZZACHSA-N 0 3 268.317 0.969 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(C2)CCOCC3)c1 ZINC000353024586 356141018 /nfs/dbraw/zinc/14/10/18/356141018.db2.gz IVSIXOZGTKISSG-GFCCVEGCSA-N 0 3 296.327 0.265 20 5 CCBDHN COc1c(C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000353344628 356206645 /nfs/dbraw/zinc/20/66/45/356206645.db2.gz LPZUDLKPQRENOU-UHFFFAOYSA-N 0 3 267.285 0.895 20 5 CCBDHN CN1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000353734057 356283361 /nfs/dbraw/zinc/28/33/61/356283361.db2.gz LJTCNMZOHXOMJJ-UHFFFAOYSA-N 0 3 282.300 0.109 20 5 CCBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000354599574 356448925 /nfs/dbraw/zinc/44/89/25/356448925.db2.gz SAXWXQLGAZNDHQ-VHSXEESVSA-N 0 3 283.357 0.867 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC([C@H]3CCOC3)C2)c1 ZINC000619506708 366270645 /nfs/dbraw/zinc/27/06/45/366270645.db2.gz WDHZTIXFCNPJSH-GXFFZTMASA-N 0 3 296.327 0.121 20 5 CCBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609189184 363477022 /nfs/dbraw/zinc/47/70/22/363477022.db2.gz LHRMNGQYQCDPJN-UHFFFAOYSA-N 0 3 298.343 0.584 20 5 CCBDHN CC[C@H](CN1CCCC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000619787729 366353687 /nfs/dbraw/zinc/35/36/87/366353687.db2.gz HZJHMSUXSQUAMG-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356112362 356705388 /nfs/dbraw/zinc/70/53/88/356705388.db2.gz CISKJOPMAQQQRD-JTQLQIEISA-N 0 3 295.343 0.790 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000610604475 363585016 /nfs/dbraw/zinc/58/50/16/363585016.db2.gz UQMWKYGQJCCYRE-BETUJISGSA-N 0 3 266.297 0.565 20 5 CCBDHN CC[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1O ZINC000400031716 357785681 /nfs/dbraw/zinc/78/56/81/357785681.db2.gz IXPIQNARRUIIJV-GHMZBOCLSA-N 0 3 268.317 0.802 20 5 CCBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCCN2CCO)nc1 ZINC000450620174 236103106 /nfs/dbraw/zinc/10/31/06/236103106.db2.gz VJNLYHXFTISCLI-LLVKDONJSA-N 0 3 280.328 0.670 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCN1CCCO ZINC000450593565 236097869 /nfs/dbraw/zinc/09/78/69/236097869.db2.gz JDEMKZDGCBEJRX-SNVBAGLBSA-N 0 3 283.332 0.587 20 5 CCBDHN O=C1NC(=O)[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000451632082 236174068 /nfs/dbraw/zinc/17/40/68/236174068.db2.gz JOPZFMDXENNVRT-TXEJJXNPSA-N 0 3 289.291 0.342 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCN(C)CC1 ZINC000610664854 363593152 /nfs/dbraw/zinc/59/31/52/363593152.db2.gz CHBIQUPMCCAGLW-UHFFFAOYSA-N 0 3 267.333 0.737 20 5 CCBDHN N[C@@H]1C[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000424164305 358209084 /nfs/dbraw/zinc/20/90/84/358209084.db2.gz CAPJPBDORCJWLP-VHSXEESVSA-N 0 3 262.269 0.222 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000568647993 358694637 /nfs/dbraw/zinc/69/46/37/358694637.db2.gz ZRWLMPVCXLSHBQ-MNOVXSKESA-N 0 3 290.323 0.651 20 5 CCBDHN C[C@H]1C[C@@H](CO)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574117467 359030178 /nfs/dbraw/zinc/03/01/78/359030178.db2.gz PPJUPXMRYKEVGP-GVXVVHGQSA-N 0 3 298.343 0.245 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000588866646 359345027 /nfs/dbraw/zinc/34/50/27/359345027.db2.gz NNVZMTTYIMDXKM-SECBINFHSA-N 0 3 285.275 0.386 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590044652 359419150 /nfs/dbraw/zinc/41/91/50/359419150.db2.gz KNUIVZVPYRDDCK-MNOVXSKESA-N 0 3 293.327 0.262 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)[C@@H]2C1 ZINC000590044234 359419394 /nfs/dbraw/zinc/41/93/94/359419394.db2.gz IWKWUPFTMNXCOX-MWLCHTKSSA-N 0 3 278.312 0.709 20 5 CCBDHN Cc1nc(N2C[C@H](C)NC[C@H]2C)ncc1[N+](=O)[O-] ZINC000591433920 359590992 /nfs/dbraw/zinc/59/09/92/359590992.db2.gz ORDUNSMCLGVIID-JGVFFNPUSA-N 0 3 251.290 0.880 20 5 CCBDHN O=[N+]([O-])c1cc(-c2nc([C@H]3CCCN3)no2)[nH]n1 ZINC000592356071 359823313 /nfs/dbraw/zinc/82/33/13/359823313.db2.gz PPZUQWWYAVRWDT-RXMQYKEDSA-N 0 3 250.218 0.792 20 5 CCBDHN CN1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000611201633 363680738 /nfs/dbraw/zinc/68/07/38/363680738.db2.gz HKQBELBPQPVYAW-SSDOTTSWSA-N 0 3 253.262 0.142 20 5 CCBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000593881839 360193556 /nfs/dbraw/zinc/19/35/56/360193556.db2.gz DBEKNEWUHUBOSR-UHFFFAOYSA-N 0 3 281.316 0.876 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000177185705 189034761 /nfs/dbraw/zinc/03/47/61/189034761.db2.gz CZICOTJDSSUCAY-NXEZZACHSA-N 0 3 293.327 0.533 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000177185720 189034967 /nfs/dbraw/zinc/03/49/67/189034967.db2.gz CZICOTJDSSUCAY-VHSXEESVSA-N 0 3 293.327 0.533 20 5 CCBDHN [NH3+][C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000595107984 360437099 /nfs/dbraw/zinc/43/70/99/360437099.db2.gz NVQTUJIKWJTLIY-VIFPVBQESA-N 0 3 286.313 0.005 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@]2(OCCO)CCOC2)cc1 ZINC000594974522 360428101 /nfs/dbraw/zinc/42/81/01/360428101.db2.gz KWNYQLONQURMPG-CQSZACIVSA-N 0 3 296.323 0.852 20 5 CCBDHN CN(CC1=CCCOC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595750494 360639987 /nfs/dbraw/zinc/63/99/87/360639987.db2.gz BWUPCWBHDNTKFY-ZDUSSCGKSA-N 0 3 296.327 0.431 20 5 CCBDHN O=c1[n-]ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000596083207 360790932 /nfs/dbraw/zinc/79/09/32/360790932.db2.gz PYDDEZNOZHBPGS-YUMQZZPRSA-N 0 3 250.258 0.351 20 5 CCBDHN O=C(c1ccccc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000596098605 360794313 /nfs/dbraw/zinc/79/43/13/360794313.db2.gz RVIOSPCWMXGEPG-UHFFFAOYSA-N 0 3 277.280 0.409 20 5 CCBDHN CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596198040 360830114 /nfs/dbraw/zinc/83/01/14/360830114.db2.gz PHYNWFHVHHHPMW-ZDUSSCGKSA-N 0 3 294.311 0.172 20 5 CCBDHN COC(=O)C[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000179132953 189171606 /nfs/dbraw/zinc/17/16/06/189171606.db2.gz KCXVGQLHTXHATM-JTQLQIEISA-N 0 3 282.300 0.819 20 5 CCBDHN CC(C)(C)N1CC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000596307366 360876764 /nfs/dbraw/zinc/87/67/64/360876764.db2.gz LGVMZAIGLAWUHV-QMMMGPOBSA-N 0 3 280.332 0.504 20 5 CCBDHN N[C@@H]1C[C@H]2CN(Cc3csc([N+](=O)[O-])c3)CCN2C1=O ZINC000564101317 291267119 /nfs/dbraw/zinc/26/71/19/291267119.db2.gz IPOBJVMVJXAQEJ-VHSXEESVSA-N 0 3 296.352 0.400 20 5 CCBDHN Cc1nn(C)c(C(=O)NC(C)(C)CN(C)C)c1[N+](=O)[O-] ZINC000598739567 361503440 /nfs/dbraw/zinc/50/34/40/361503440.db2.gz FKFSQYNCCGLIQA-UHFFFAOYSA-N 0 3 283.332 0.707 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)CN(C)C ZINC000598740004 361504539 /nfs/dbraw/zinc/50/45/39/361504539.db2.gz MXJXTMMIFIEVQR-UHFFFAOYSA-N 0 3 283.332 0.556 20 5 CCBDHN C[C@H]1CCCCN1CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330664290 203093831 /nfs/dbraw/zinc/09/38/31/203093831.db2.gz ULUAIOAPWWSHNA-JTQLQIEISA-N 0 3 296.331 0.177 20 5 CCBDHN CCCN1CCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000330667419 203094393 /nfs/dbraw/zinc/09/43/93/203094393.db2.gz JEWREBJNSAUCSC-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN N[C@@H]1C[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000518564127 249255379 /nfs/dbraw/zinc/25/53/79/249255379.db2.gz IAMXVXYTMZXKPZ-VXGBXAGGSA-N 0 3 290.323 0.339 20 5 CCBDHN N[C@H]1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000518564126 249256359 /nfs/dbraw/zinc/25/63/59/249256359.db2.gz IAMXVXYTMZXKPZ-RYUDHWBXSA-N 0 3 290.323 0.339 20 5 CCBDHN O=C1N[C@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C[C@@H]2CO1 ZINC000281176074 195135525 /nfs/dbraw/zinc/13/55/25/195135525.db2.gz ANWOXFNWNCYQLA-ZJUUUORDSA-N 0 3 295.299 0.222 20 5 CCBDHN CN(C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCSC1 ZINC000285911614 388813095 /nfs/dbraw/zinc/81/30/95/388813095.db2.gz BWZUGUDPHBTUMI-NSHDSACASA-N 0 3 299.356 0.485 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2)c1 ZINC000037873813 388848623 /nfs/dbraw/zinc/84/86/23/388848623.db2.gz YFIXOYDLGJNVAY-ZDUSSCGKSA-N 0 3 276.296 0.942 20 5 CCBDHN C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1 ZINC000052783393 388927836 /nfs/dbraw/zinc/92/78/36/388927836.db2.gz GAPZBZPJQWRWFC-SECBINFHSA-N 0 3 299.352 0.796 20 5 CCBDHN Cc1ccc(S(=O)(=O)N2CCCNCC2)c([N+](=O)[O-])c1 ZINC000237731675 389193916 /nfs/dbraw/zinc/19/39/16/389193916.db2.gz WNKGXECZWPADSK-UHFFFAOYSA-N 0 3 299.352 0.887 20 5 CCBDHN C[C@@H]1[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCCN1C ZINC000343597372 389267964 /nfs/dbraw/zinc/26/79/64/389267964.db2.gz HKVMXKIKJSVVSM-ZJUUUORDSA-N 0 3 290.327 0.954 20 5 CCBDHN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CCCN1C ZINC000343603467 389268084 /nfs/dbraw/zinc/26/80/84/389268084.db2.gz MLVQJINUNQFXMQ-LDYMZIIASA-N 0 3 293.327 0.983 20 5 CCBDHN COCCNCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000152392598 389290811 /nfs/dbraw/zinc/29/08/11/389290811.db2.gz OYSOHQKRCLTPLP-UHFFFAOYSA-N 0 3 257.246 0.154 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000160478685 389390315 /nfs/dbraw/zinc/39/03/15/389390315.db2.gz CHLRGALZQNTRFZ-SECBINFHSA-N 0 3 281.316 0.542 20 5 CCBDHN C[C@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCN1C ZINC000347884999 389360126 /nfs/dbraw/zinc/36/01/26/389360126.db2.gz YOCXIARGIGSPQN-VHSXEESVSA-N 0 3 290.327 0.954 20 5 CCBDHN CC1=CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000270117931 389428696 /nfs/dbraw/zinc/42/86/96/389428696.db2.gz FFIQVZVNMVOAQF-LBPRGKRZSA-N 0 3 266.301 0.804 20 5 CCBDHN CS[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1N(C)C ZINC000271998818 389455215 /nfs/dbraw/zinc/45/52/15/389455215.db2.gz HSXPAFYOKGMNHA-GHMZBOCLSA-N 0 3 299.400 0.769 20 5 CCBDHN C[C@@H]1CN(C)[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000351943094 389721057 /nfs/dbraw/zinc/72/10/57/389721057.db2.gz DOLACCZRFHDOMI-NWDGAFQWSA-N 0 3 294.355 0.781 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)CN ZINC000415644037 389696021 /nfs/dbraw/zinc/69/60/21/389696021.db2.gz TVHQNWIDPCIDPT-QMMMGPOBSA-N 0 3 294.311 0.614 20 5 CCBDHN CC(C)N1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000457107137 390030378 /nfs/dbraw/zinc/03/03/78/390030378.db2.gz DZZIUNUCEHGIMY-LLVKDONJSA-N 0 3 295.343 0.732 20 5 CCBDHN CCc1n[nH]c(C(=O)NC(C)(C)CN(C)C)c1[N+](=O)[O-] ZINC000457211854 390034753 /nfs/dbraw/zinc/03/47/53/390034753.db2.gz RLKIDLTWVRVWRB-UHFFFAOYSA-N 0 3 283.332 0.950 20 5 CCBDHN C[C@@H]1[C@@H](CO)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000488749173 390095932 /nfs/dbraw/zinc/09/59/32/390095932.db2.gz ROANFCXNTDQZNJ-NXEZZACHSA-N 0 3 254.290 0.494 20 5 CCBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CNC1 ZINC000519592189 390513511 /nfs/dbraw/zinc/51/35/11/390513511.db2.gz ZBLYVJLPNHLQFF-UHFFFAOYSA-N 0 3 271.298 0.382 20 5 CCBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000565705490 390537782 /nfs/dbraw/zinc/53/77/82/390537782.db2.gz OXPXDWPRQYGVHO-UHFFFAOYSA-N 0 3 266.301 0.757 20 5 CCBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1CO ZINC000190438269 130105005 /nfs/dbraw/zinc/10/50/05/130105005.db2.gz GTILDGPHKZEZQG-GXSJLCMTSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1 ZINC000237442934 131030888 /nfs/dbraw/zinc/03/08/88/131030888.db2.gz GCOGLQFFLGMQPN-BDAKNGLRSA-N 0 3 267.289 0.000 20 5 CCBDHN CCNC(=O)[C@H](NCCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000339321786 285577965 /nfs/dbraw/zinc/57/79/65/285577965.db2.gz QNMRSNXEYRZHGL-LLVKDONJSA-N 0 3 283.332 0.542 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CN1C1CC1 ZINC000356728136 144027919 /nfs/dbraw/zinc/02/79/19/144027919.db2.gz JPXBMFHQGQGYFG-BDAKNGLRSA-N 0 3 293.327 0.683 20 5 CCBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CCN1C ZINC000357063802 144055593 /nfs/dbraw/zinc/05/55/93/144055593.db2.gz ZNYBJRYQZBTZMB-UWVGGRQHSA-N 0 3 295.343 0.883 20 5 CCBDHN Cc1cc(C)c(S(=O)(=O)N(C)C2CNC2)cc1[N+](=O)[O-] ZINC000357492488 144095961 /nfs/dbraw/zinc/09/59/61/144095961.db2.gz XOKGCFPVIJMTNT-UHFFFAOYSA-N 0 3 299.352 0.804 20 5 CCBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451628195 287153131 /nfs/dbraw/zinc/15/31/31/287153131.db2.gz AAAULFBYVQXTFC-INTQDDNPSA-N 0 3 289.291 0.860 20 5 CCBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CCCNC2)cc1[N+](=O)[O-] ZINC000071397258 176150876 /nfs/dbraw/zinc/15/08/76/176150876.db2.gz SFNHWOMRJOXHLQ-SNVBAGLBSA-N 0 3 299.352 0.934 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)C[NH3+] ZINC000104205934 292588086 /nfs/dbraw/zinc/58/80/86/292588086.db2.gz IHUNEWSSJDQSOW-QMMMGPOBSA-N 0 3 273.314 0.529 20 5 CCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000575194507 335078901 /nfs/dbraw/zinc/07/89/01/335078901.db2.gz JJIISJNOMYIXCA-ZDUSSCGKSA-N 0 3 294.311 0.109 20 5 CCBDHN CNCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040420126 277020515 /nfs/dbraw/zinc/02/05/15/277020515.db2.gz XNUHQKSMZSNSGM-UHFFFAOYSA-N 0 3 278.312 0.463 20 5 CCBDHN C[C@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193402853 278373672 /nfs/dbraw/zinc/37/36/72/278373672.db2.gz OCFNVJUYZSIZIN-VHSXEESVSA-N 0 3 299.352 0.871 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1C ZINC000262405795 280050128 /nfs/dbraw/zinc/05/01/28/280050128.db2.gz QBWJYIVBFKSVLH-RKDXNWHRSA-N 0 3 278.312 0.999 20 5 CCBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000514679073 280561777 /nfs/dbraw/zinc/56/17/77/280561777.db2.gz WPXCTNARUINAJW-NWDGAFQWSA-N 0 3 290.323 0.651 20 5 CCBDHN CN(C)C1(CN(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000189518094 289042516 /nfs/dbraw/zinc/04/25/16/289042516.db2.gz SSFWAWCZSMSWGJ-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[NH2+]C1 ZINC000580647058 335310687 /nfs/dbraw/zinc/31/06/87/335310687.db2.gz NBLYNPLFSCQVTD-MRVPVSSYSA-N 0 3 286.313 0.020 20 5 CCBDHN Cc1nn(C)c(N2C[C@H]3CCC[C@@H](C2)N3)c1[N+](=O)[O-] ZINC000579454846 335760914 /nfs/dbraw/zinc/76/09/14/335760914.db2.gz DBVSXJTXXUGQBC-AOOOYVTPSA-N 0 3 265.317 0.967 20 5 CCBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CNCCO1 ZINC000423991784 534466196 /nfs/dbraw/zinc/46/61/96/534466196.db2.gz NCBVIGAWTMYJHB-ZDUSSCGKSA-N 0 3 293.323 0.632 20 5 CCBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000061401141 523598083 /nfs/dbraw/zinc/59/80/83/523598083.db2.gz HYTSMWSGWMJLIQ-UHFFFAOYSA-N 0 3 296.327 0.485 20 5 CCBDHN CCN(C)CCNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191813660 527800901 /nfs/dbraw/zinc/80/09/01/527800901.db2.gz NACJPYLWPLAVDC-UHFFFAOYSA-N 0 3 269.305 0.493 20 5 CCBDHN CC1(C)[C@H](O)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000361422264 527880679 /nfs/dbraw/zinc/88/06/79/527880679.db2.gz ZGJFCLFQRBYJRY-SECBINFHSA-N 0 3 254.290 0.637 20 5 CCBDHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCOC1 ZINC000361593724 528612843 /nfs/dbraw/zinc/61/28/43/528612843.db2.gz GXTIDQVEHZCIKH-SNVBAGLBSA-N 0 3 254.290 0.902 20 5 CCBDHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356487084 536431698 /nfs/dbraw/zinc/43/16/98/536431698.db2.gz WHLDCNBDNSHAFZ-SECBINFHSA-N 0 3 281.316 0.352 20 5 CCBDHN COc1ccc(OC(=O)C2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000792114283 581248252 /nfs/dbraw/zinc/24/82/52/581248252.db2.gz WFLVAVHEZOGDGG-SECBINFHSA-N 0 3 294.263 0.987 20 5 CCBDHN CC(COC(=O)c1cnn2c1OCCC2)[N+](=O)[O-] ZINC000797280314 581463584 /nfs/dbraw/zinc/46/35/84/581463584.db2.gz NGDJOTVEFWIQBB-ZETCQYMHSA-N 0 3 255.230 0.488 20 5 CCBDHN C[C@@H]1CCCN1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000742240532 581775406 /nfs/dbraw/zinc/77/54/06/581775406.db2.gz RDGMWJYOECKCSB-LLVKDONJSA-N 0 3 295.343 0.782 20 5 CCBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCN(C)C ZINC000747226398 581935508 /nfs/dbraw/zinc/93/55/08/581935508.db2.gz QOCXTBHSOLWTRU-UHFFFAOYSA-N 0 3 280.328 0.952 20 5 CCBDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCC[N+](=O)[O-])C1 ZINC000905134325 617179954 /nfs/dbraw/zinc/17/99/54/617179954.db2.gz TXMHSWYOBJRZIU-DTWKUNHWSA-N 0 3 250.320 0.209 20 5 CCBDHN CC(C)(CCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)[N+](=O)[O-] ZINC000861718464 614081497 /nfs/dbraw/zinc/08/14/97/614081497.db2.gz XEDHHTKSOLAGEW-RYUDHWBXSA-N 0 3 299.371 0.489 20 5 CCBDHN COc1cccnc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114063 617322868 /nfs/dbraw/zinc/32/28/68/617322868.db2.gz LSZBCEJIWNDLKG-QMMMGPOBSA-N 0 3 254.242 0.841 20 5 CCBDHN CC(C)(CCC(=O)N[C@@H](CO)CN1CCCC1)[N+](=O)[O-] ZINC000879992781 614081682 /nfs/dbraw/zinc/08/16/82/614081682.db2.gz OQUSRMRTWHNQOY-LLVKDONJSA-N 0 3 287.360 0.395 20 5 CCBDHN CCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000824842413 614596634 /nfs/dbraw/zinc/59/66/34/614596634.db2.gz ULNQVVAVSAPCBN-NSHDSACASA-N 0 3 295.343 0.652 20 5 CCBDHN CC[C@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000916570731 615736980 /nfs/dbraw/zinc/73/69/80/615736980.db2.gz QFXKCVIWBCDLHG-SECBINFHSA-N 0 3 267.285 0.894 20 5 CCBDHN CC[S@@](=O)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819048176 616005943 /nfs/dbraw/zinc/00/59/43/616005943.db2.gz UINDUXPAZZPOHK-CWTRNNRKSA-N 0 3 286.353 0.986 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000912612530 616101136 /nfs/dbraw/zinc/10/11/36/616101136.db2.gz SFMBYXXCCZSDTI-UHFFFAOYSA-N 0 3 299.302 0.730 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874833243 616200438 /nfs/dbraw/zinc/20/04/38/616200438.db2.gz LGAWWEWNLWFBBC-NXEZZACHSA-N 0 3 293.327 0.637 20 5 CCBDHN CN1CC[C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000834314228 616329812 /nfs/dbraw/zinc/32/98/12/616329812.db2.gz BVLKRPGJRVHXNW-MFKMUULPSA-N 0 3 290.323 0.953 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000816949638 616360052 /nfs/dbraw/zinc/36/00/52/616360052.db2.gz AYFTUEQMRPHGTH-ZANVPECISA-N 0 3 290.323 0.953 20 5 CCBDHN COCC[C@@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000884140227 616632316 /nfs/dbraw/zinc/63/23/16/616632316.db2.gz NCASPHRSNWKQES-SNVBAGLBSA-N 0 3 279.296 0.848 20 5 CCBDHN CO[C@@H]1CCn2cc(C(=O)OCC(C)[N+](=O)[O-])nc2C1 ZINC000870377283 616720837 /nfs/dbraw/zinc/72/08/37/616720837.db2.gz PMTSBCLTMWPPSZ-DTWKUNHWSA-N 0 3 283.284 0.666 20 5 CCBDHN COCCCn1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000860776490 616935347 /nfs/dbraw/zinc/93/53/47/616935347.db2.gz FSJQLUOJAMJQIR-SECBINFHSA-N 0 3 271.273 0.742 20 5 CCBDHN CC(COC(=O)[C@H]1CCCCS1(=O)=O)[N+](=O)[O-] ZINC000813103876 624649357 /nfs/dbraw/zinc/64/93/57/624649357.db2.gz HQBHIRUOVGDIOY-JGVFFNPUSA-N 0 3 265.287 0.162 20 5 CCBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1C ZINC000902930098 634498385 /nfs/dbraw/zinc/49/83/85/634498385.db2.gz ZVTGEVQHPSTFRS-WCBMZHEXSA-N 0 3 266.301 0.756 20 5 CCBDHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799345935 640562920 /nfs/dbraw/zinc/56/29/20/640562920.db2.gz BUGJVPDBHPPOLW-JIMOISOXSA-N 0 3 293.323 0.742 20 5 CCBDHN CC(COC(=O)C1CCN(c2cnccn2)CC1)[N+](=O)[O-] ZINC000813103725 641022464 /nfs/dbraw/zinc/02/24/64/641022464.db2.gz GLHZQZFGUUOODK-SNVBAGLBSA-N 0 3 294.311 0.901 20 5 CCBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)CO2)[N+](=O)[O-] ZINC000813103456 641022487 /nfs/dbraw/zinc/02/24/87/641022487.db2.gz BCGLOVDRVRDWDS-SSDOTTSWSA-N 0 3 280.236 0.840 20 5 CCBDHN CC(COC(=O)[C@H](C)n1nnnc1C(C)(C)C)[N+](=O)[O-] ZINC000813110454 641023733 /nfs/dbraw/zinc/02/37/33/641023733.db2.gz AYNYCUYDESLZFN-SFYZADRCSA-N 0 3 285.304 0.740 20 5 CCBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)c2ccc(F)cn2)c1 ZINC000819177440 641387271 /nfs/dbraw/zinc/38/72/71/641387271.db2.gz SWHURHNJCIOMKK-LBPRGKRZSA-N 0 3 295.274 0.649 20 5 CCBDHN Cc1noc(COC(=O)C2CCCN(C)C2=O)c1[N+](=O)[O-] ZINC000853923457 644159984 /nfs/dbraw/zinc/15/99/84/644159984.db2.gz VCQMFIJXJUUXNH-QMMMGPOBSA-N 0 3 297.267 0.803 20 5 CCBDHN O=[N+]([O-])c1cnn(CCNc2ccnc(CO)c2)c1 ZINC000858451136 644622106 /nfs/dbraw/zinc/62/21/06/644622106.db2.gz OCMFCALUMFMFNG-UHFFFAOYSA-N 0 3 263.257 0.791 20 5 CCBDHN Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001020139116 651044088 /nfs/dbraw/zinc/04/40/88/651044088.db2.gz RKWICWVTZUVMDY-GWOFURMSSA-N 0 3 294.311 0.385 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000879608700 647080568 /nfs/dbraw/zinc/08/05/68/647080568.db2.gz SULDNLDGYYJOTF-KGLIPLIRSA-N 0 3 296.323 0.791 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)CCO)n1 ZINC000884824597 647808400 /nfs/dbraw/zinc/80/84/00/647808400.db2.gz DAFKKRSRBPQXOS-UHFFFAOYSA-N 0 3 254.290 0.634 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928442273 648635953 /nfs/dbraw/zinc/63/59/53/648635953.db2.gz APLJORKESOGIIL-PSASIEDQSA-N 0 3 281.316 0.309 20 5 CCBDHN O=[N+]([O-])CCN[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001120602845 798884852 /nfs/dbraw/zinc/88/48/52/798884852.db2.gz LMGZCGSCPBWRRZ-MRVPVSSYSA-N 0 3 255.240 0.879 20 5 CCBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1cnc(CN)c1 ZINC001154908837 800868859 /nfs/dbraw/zinc/86/88/59/800868859.db2.gz IXVSKECTCLDQML-UHFFFAOYSA-N 0 3 291.267 0.811 20 5 CCBDHN CN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C(C)(C)C1 ZINC001156590528 801192501 /nfs/dbraw/zinc/19/25/01/801192501.db2.gz MWYZYQXDHJUZOA-SNVBAGLBSA-N 0 3 266.301 0.993 20 5 CCBDHN CCOC(=O)c1ccnc(-n2nncc2CN)c1[N+](=O)[O-] ZINC001158427706 801645138 /nfs/dbraw/zinc/64/51/38/801645138.db2.gz FFBVYTMXKMCIGH-UHFFFAOYSA-N 0 3 292.255 0.206 20 5 CCBDHN COc1cc(N[C@H](C)[C@@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001159495356 801820436 /nfs/dbraw/zinc/82/04/36/801820436.db2.gz DYRJEODYHSUXQN-KCJUWKMLSA-N 0 3 282.300 0.787 20 5 CCBDHN COc1nc(SC)nc(-n2nccc2CN)c1[N+](=O)[O-] ZINC001162590652 802372607 /nfs/dbraw/zinc/37/26/07/802372607.db2.gz FYCOIUIOSFXBFW-UHFFFAOYSA-N 0 3 296.312 0.760 20 5 CCBDHN NCc1ccnn1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001162596702 802374808 /nfs/dbraw/zinc/37/48/08/802374808.db2.gz DKZJDKPIWJUZOE-UHFFFAOYSA-N 0 3 258.241 0.887 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1C[C@H](O)[C@@H](CO)C1)C2 ZINC001254592948 808264622 /nfs/dbraw/zinc/26/46/22/808264622.db2.gz HUCZBOOYMWEVRK-BNOWGMLFSA-N 0 3 278.308 0.347 20 5 CCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1COC2(CNC2)C1 ZINC001263156136 809462601 /nfs/dbraw/zinc/46/26/01/809462601.db2.gz NPNMEMAGNBUZBV-LLVKDONJSA-N 0 3 291.307 0.384 20 5 CCBDHN O=C(NCCNCc1ccncc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001126932171 815307981 /nfs/dbraw/zinc/30/79/81/815307981.db2.gz KGSLEXHQQGEQEI-MWLCHTKSSA-N 0 3 298.730 0.606 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)n1 ZINC001129073455 819402008 /nfs/dbraw/zinc/40/20/08/819402008.db2.gz FJPXDGWENPOELR-BDAKNGLRSA-N 0 3 279.300 0.104 20 5 CCBDHN Cc1nc(=N)n([C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1CN ZINC001169006307 836095140 /nfs/dbraw/zinc/09/51/40/836095140.db2.gz XGPQIFZVIPUOMR-KOLCDFICSA-N 0 3 265.317 0.748 20 5 CCBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(CCCO)CC2)C1 ZINC001169010930 836099124 /nfs/dbraw/zinc/09/91/24/836099124.db2.gz GHBPWRLLFHQJSO-STQMWFEESA-N 0 3 271.361 0.432 20 5 CCBDHN O=C1CC[C@@H]2CN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035244 836109803 /nfs/dbraw/zinc/10/98/03/836109803.db2.gz JPZXAXOPAWEPPK-SDDRHHMPSA-N 0 3 267.329 0.738 20 5 CCBDHN CN1CCN(C2CN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169042769 836114140 /nfs/dbraw/zinc/11/41/40/836114140.db2.gz FKFKVRVIJXGUQW-CHWSQXEVSA-N 0 3 282.388 0.363 20 5 CCBDHN C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1CNCCO1 ZINC001170558174 838068830 /nfs/dbraw/zinc/06/88/30/838068830.db2.gz MMHLLCBJMIVXBZ-IONNQARKSA-N 0 3 253.262 0.174 20 5 CCBDHN C[C@@H](Nc1nccnc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170561415 838099833 /nfs/dbraw/zinc/09/98/33/838099833.db2.gz FBGQMYATFYPPIK-HTQZYQBOSA-N 0 3 253.262 0.174 20 5 CCBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159496583 839317463 /nfs/dbraw/zinc/31/74/63/839317463.db2.gz KGJAMZHZLGDXBP-XVKPBYJWSA-N 0 3 297.271 0.687 20 5 CCBDHN Cc1nnnn1-c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000845577888 840063205 /nfs/dbraw/zinc/06/32/05/840063205.db2.gz ZGMMGZAGWOMDJA-QMMMGPOBSA-N 0 3 291.267 0.793 20 5 CCBDHN C[NH+](C)CCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094089765 841529432 /nfs/dbraw/zinc/52/94/32/841529432.db2.gz LNUPTWQCNQMMFB-UHFFFAOYSA-N 0 3 297.315 0.175 20 5 CCBDHN CCN1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001178861199 842935025 /nfs/dbraw/zinc/93/50/25/842935025.db2.gz UPKPGESOADZSPR-SNVBAGLBSA-N 0 3 295.343 0.788 20 5 CCBDHN C[C@H](O)[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000717285965 848217387 /nfs/dbraw/zinc/21/73/87/848217387.db2.gz ADRCDAZXSSDTLQ-AUTRQRHGSA-N 0 3 254.286 0.987 20 5 CCBDHN O=C1NCCCC[C@@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001120472764 857081681 /nfs/dbraw/zinc/08/16/81/857081681.db2.gz SJNYCXOKRXPHFP-QWHCGFSZSA-N 0 3 293.323 0.887 20 5 CCBDHN CCNC(=O)C(C)(C)NCCn1ccc([N+](=O)[O-])n1 ZINC001307824067 908353639 /nfs/dbraw/zinc/35/36/39/908353639.db2.gz QIWKREDIPPMOOS-UHFFFAOYSA-N 0 3 269.305 0.296 20 5 CCBDHN CN(C)C1CN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC001333683549 919093719 /nfs/dbraw/zinc/09/37/19/919093719.db2.gz FGRRAGZSSTUGHI-UHFFFAOYSA-N 0 3 263.257 0.881 20 5 CCBDHN CC(=O)N[C@](C)(C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC001343652371 923405734 /nfs/dbraw/zinc/40/57/34/923405734.db2.gz TZYCDBRKCFLNSY-KWQFWETISA-N 0 3 260.290 0.746 20 5 CCBDHN Cc1nc(NC[C@@H]2CSCCN2)ncc1[N+](=O)[O-] ZINC001349772953 925049628 /nfs/dbraw/zinc/04/96/28/925049628.db2.gz HFKPIGKPXVWWQB-MRVPVSSYSA-N 0 3 269.330 0.810 20 5 CCBDHN Cn1ccnc1[C@@H]1C[C@H](NCC[N+](=O)[O-])CCO1 ZINC001356101943 926344602 /nfs/dbraw/zinc/34/46/02/926344602.db2.gz IUIQKPKCLBHJIB-ZJUUUORDSA-N 0 3 254.290 0.507 20 5 CCBDHN CCOCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000093312116 349536376 /nfs/dbraw/zinc/53/63/76/349536376.db2.gz XCLIHOCTWBJRQV-LLVKDONJSA-N 0 3 272.305 0.121 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)[NH3+])cc1C ZINC000104212588 349711970 /nfs/dbraw/zinc/71/19/70/349711970.db2.gz NCMCPRVYWKTDBS-VIFPVBQESA-N 0 3 287.341 0.837 20 5 CCBDHN Cc1nc(N[C@@H]2CCCN(CCCO)C2)ncc1[N+](=O)[O-] ZINC000295027082 199307770 /nfs/dbraw/zinc/30/77/70/199307770.db2.gz VFDCPOUYSCAALV-LLVKDONJSA-N 0 3 295.343 0.952 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000358146238 529800638 /nfs/dbraw/zinc/80/06/38/529800638.db2.gz WSQNGSVXUCLSBI-CYBMUJFWSA-N 0 3 294.311 0.783 20 5 CCBDHN CN1CC[C@@](O)(CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358169230 529800914 /nfs/dbraw/zinc/80/09/14/529800914.db2.gz QVLQSPRXKVYGAA-CYBMUJFWSA-N 0 3 283.303 0.890 20 5 CCBDHN O=C(CCNCc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000159264547 290723615 /nfs/dbraw/zinc/72/36/15/290723615.db2.gz VRQDPYYGUCROEJ-UHFFFAOYSA-N 0 3 293.323 0.933 20 5 CCBDHN CC(C)CN(CCN(C)C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159501016 290724387 /nfs/dbraw/zinc/72/43/87/290724387.db2.gz TYNPIHSVUNHULF-UHFFFAOYSA-N 0 3 283.332 0.978 20 5 CCBDHN COCCNCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602481247 362638516 /nfs/dbraw/zinc/63/85/16/362638516.db2.gz CNCQPLSVNNCRAH-UHFFFAOYSA-N 0 3 285.275 0.700 20 5 CCBDHN CNC(=O)CCN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602772861 362793262 /nfs/dbraw/zinc/79/32/62/362793262.db2.gz MCROSWHNDSBOGD-UHFFFAOYSA-N 0 3 269.305 0.168 20 5 CCBDHN CNC(=O)[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602782964 362798825 /nfs/dbraw/zinc/79/88/25/362798825.db2.gz KXQJKIZUWWGPRO-NSHDSACASA-N 0 3 295.343 0.558 20 5 CCBDHN CN(C)C1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000273311083 192108531 /nfs/dbraw/zinc/10/85/31/192108531.db2.gz NPWIRMWPZYUPHD-UHFFFAOYSA-N 0 3 264.285 0.444 20 5 CCBDHN C[C@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343474021 137137337 /nfs/dbraw/zinc/13/73/37/137137337.db2.gz COROBEPBCJMASP-GXSJLCMTSA-N 0 3 281.316 0.390 20 5 CCBDHN CCCN(CCN(C)C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344144973 137179986 /nfs/dbraw/zinc/17/99/86/137179986.db2.gz VICYVUNXFFCMED-UHFFFAOYSA-N 0 3 269.305 0.732 20 5 CCBDHN CN(C)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000015206862 348039442 /nfs/dbraw/zinc/03/94/42/348039442.db2.gz YDYNNOVVOJEAIY-UHFFFAOYSA-N 0 3 288.329 0.216 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000346261044 137275073 /nfs/dbraw/zinc/27/50/73/137275073.db2.gz MACWOZGDHPNRJP-ZETCQYMHSA-N 0 3 255.278 0.008 20 5 CCBDHN CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000054244475 348545376 /nfs/dbraw/zinc/54/53/76/348545376.db2.gz BPCMCFURLAKFSY-UHFFFAOYSA-N 0 3 273.314 0.401 20 5 CCBDHN CN1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000066050017 348731709 /nfs/dbraw/zinc/73/17/09/348731709.db2.gz ZSIJOUVAJDUMIH-SNVBAGLBSA-N 0 3 281.316 0.392 20 5 CCBDHN CC[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000083483881 349306671 /nfs/dbraw/zinc/30/66/71/349306671.db2.gz AGJXCDBNNMCBAW-LLVKDONJSA-N 0 3 266.301 0.860 20 5 CCBDHN Cc1c(CS(=O)(=O)C(C)C(N)=O)cccc1[N+](=O)[O-] ZINC000121297170 350032521 /nfs/dbraw/zinc/03/25/21/350032521.db2.gz JKCVGTFTGYLXOV-MRVPVSSYSA-N 0 3 286.309 0.692 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105326745 186052193 /nfs/dbraw/zinc/05/21/93/186052193.db2.gz VLZYJKCJFMFUJV-NSHDSACASA-N 0 3 295.343 0.652 20 5 CCBDHN CN(C)C(=O)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573833849 334970087 /nfs/dbraw/zinc/97/00/87/334970087.db2.gz DXPPWOJNEVIHQI-SNVBAGLBSA-N 0 3 297.311 0.012 20 5 CCBDHN COc1cc(OC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000164075927 350776268 /nfs/dbraw/zinc/77/62/68/350776268.db2.gz LUNYZEJSOCZEIT-JTQLQIEISA-N 0 3 268.269 0.971 20 5 CCBDHN C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000173632686 351048602 /nfs/dbraw/zinc/04/86/02/351048602.db2.gz FVQBTTVKRZYRHI-JQWIXIFHSA-N 0 3 284.316 0.263 20 5 CCBDHN Nc1c(C(=O)N2CCCNCC2)cc(F)cc1[N+](=O)[O-] ZINC000178359845 351229246 /nfs/dbraw/zinc/22/92/46/351229246.db2.gz JIBDWUIBHOQYDH-UHFFFAOYSA-N 0 3 282.275 0.752 20 5 CCBDHN CN(C1CNC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122203015 187021013 /nfs/dbraw/zinc/02/10/13/187021013.db2.gz IAGVLOWIHLECFQ-UHFFFAOYSA-N 0 3 289.288 0.326 20 5 CCBDHN C[C@@]1(O)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000124156337 187124573 /nfs/dbraw/zinc/12/45/73/187124573.db2.gz WRLCHICBPNKJAJ-CYBMUJFWSA-N 0 3 281.312 0.603 20 5 CCBDHN CN(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000230695883 352117928 /nfs/dbraw/zinc/11/79/28/352117928.db2.gz VILRKZDUPPFQAZ-QMMMGPOBSA-N 0 3 279.300 0.348 20 5 CCBDHN CN(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000292210700 198203387 /nfs/dbraw/zinc/20/33/87/198203387.db2.gz DEGFQEVZGHKILX-UWVGGRQHSA-N 0 3 286.719 0.754 20 5 CCBDHN COCCN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272951009 353108632 /nfs/dbraw/zinc/10/86/32/353108632.db2.gz PWTUNUIFWBANGB-NSHDSACASA-N 0 3 284.312 0.913 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000153317610 188076500 /nfs/dbraw/zinc/07/65/00/188076500.db2.gz DHBYASZCFPJBKP-CQSZACIVSA-N 0 3 295.339 0.946 20 5 CCBDHN C[C@@]1(O)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000279844208 353318550 /nfs/dbraw/zinc/31/85/50/353318550.db2.gz ARGAXXFXCIEAAT-CQSZACIVSA-N 0 3 295.339 0.993 20 5 CCBDHN O=[N+]([O-])c1ccccc1CNCCCn1cc(CO)nn1 ZINC000290020675 353701708 /nfs/dbraw/zinc/70/17/08/353701708.db2.gz ZMCSTQWNORJZGF-UHFFFAOYSA-N 0 3 291.311 0.859 20 5 CCBDHN COCCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000301146829 354070101 /nfs/dbraw/zinc/07/01/01/354070101.db2.gz HDMHRGNDNLPLST-SECBINFHSA-N 0 3 296.331 0.490 20 5 CCBDHN CN(CCN1CCCC1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301213081 354072291 /nfs/dbraw/zinc/07/22/91/354072291.db2.gz WBMNOKRIDWXUOY-UHFFFAOYSA-N 0 3 293.327 0.621 20 5 CCBDHN CN(CCNC(=O)c1c([N+](=O)[O-])cnn1C)C1CC1 ZINC000331429558 354572506 /nfs/dbraw/zinc/57/25/06/354572506.db2.gz FLOWXZUMFVJSJD-UHFFFAOYSA-N 0 3 267.289 0.152 20 5 CCBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531898155 358488480 /nfs/dbraw/zinc/48/84/80/358488480.db2.gz XBHMAIOUDILUCM-VIFPVBQESA-N 0 3 264.285 0.671 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CNCCO1 ZINC000423991313 235132377 /nfs/dbraw/zinc/13/23/77/235132377.db2.gz LPYWWYGDFRQNNJ-SNVBAGLBSA-N 0 3 295.295 0.322 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351814204 356006760 /nfs/dbraw/zinc/00/67/60/356006760.db2.gz JJCNVXNJPRVUKF-QKCSRTOESA-N 0 3 296.323 0.647 20 5 CCBDHN C[C@H]1CCN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000354008307 356329680 /nfs/dbraw/zinc/32/96/80/356329680.db2.gz SDDKAHSDALBJKF-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC000361064485 138020364 /nfs/dbraw/zinc/02/03/64/138020364.db2.gz DVBVNSAKRYWSGU-JGVFFNPUSA-N 0 3 266.305 0.692 20 5 CCBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356156301 356713166 /nfs/dbraw/zinc/71/31/66/356713166.db2.gz KELVRQIXEAYPQA-UHFFFAOYSA-N 0 3 299.331 0.026 20 5 CCBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])o1 ZINC000360108479 356948603 /nfs/dbraw/zinc/94/86/03/356948603.db2.gz WGHVKWAFCGHRSN-UWVGGRQHSA-N 0 3 295.295 0.781 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@](O)(C2CC2)C1 ZINC000366916058 357255007 /nfs/dbraw/zinc/25/50/07/357255007.db2.gz LIJQPUOQMMFZDP-CQSZACIVSA-N 0 3 293.323 0.603 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC(CCO)CC2)c1 ZINC000530871376 358428573 /nfs/dbraw/zinc/42/85/73/358428573.db2.gz RDPKGOMTOSDLCX-UHFFFAOYSA-N 0 3 268.317 0.886 20 5 CCBDHN Cc1c(Br)c(=O)n(CCN)cc1[N+](=O)[O-] ZINC000580950678 359112869 /nfs/dbraw/zinc/11/28/69/359112869.db2.gz RWXPAJRSHPHVDI-UHFFFAOYSA-N 0 3 276.090 0.786 20 5 CCBDHN CNC(=O)c1ccc(N[C@@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000589101420 359358766 /nfs/dbraw/zinc/35/87/66/359358766.db2.gz CUDMDLKNJUWCLG-SNVBAGLBSA-N 0 3 296.327 0.289 20 5 CCBDHN Cc1cccc(C(=O)N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000588864435 359343789 /nfs/dbraw/zinc/34/37/89/359343789.db2.gz ISTVHKCGCGXRNU-SNVBAGLBSA-N 0 3 281.312 0.556 20 5 CCBDHN CCc1ccc(C(=O)N[C@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000588865323 359344454 /nfs/dbraw/zinc/34/44/54/359344454.db2.gz XMBUXJWYTQMJRR-LBPRGKRZSA-N 0 3 295.339 0.810 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000590442922 359465349 /nfs/dbraw/zinc/46/53/49/359465349.db2.gz IEWQBQZYHNSMNI-NXEZZACHSA-N 0 3 293.327 0.587 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590443585 359466511 /nfs/dbraw/zinc/46/65/11/359466511.db2.gz DNJNOVNDSPGMJR-JOYOIKCWSA-N 0 3 276.296 0.766 20 5 CCBDHN CC1(C)CCCN1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000591320941 359577620 /nfs/dbraw/zinc/57/76/20/359577620.db2.gz NIOHINHYHOGXII-UHFFFAOYSA-N 0 3 281.316 0.922 20 5 CCBDHN Cc1ccc(CNCCc2nnnn2C)cc1[N+](=O)[O-] ZINC000611314584 363705935 /nfs/dbraw/zinc/70/59/35/363705935.db2.gz NLJIDEASUCDHFS-UHFFFAOYSA-N 0 3 276.300 0.759 20 5 CCBDHN CN(C)CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593384768 360073582 /nfs/dbraw/zinc/07/35/82/360073582.db2.gz LOIDTQQRERJEGC-UHFFFAOYSA-N 0 3 269.276 0.954 20 5 CCBDHN COC(=O)c1cc(OC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000594697935 360361775 /nfs/dbraw/zinc/36/17/75/360361775.db2.gz AUNUQVTVMMFDCA-SNVBAGLBSA-N 0 3 296.279 0.749 20 5 CCBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000595102259 360437158 /nfs/dbraw/zinc/43/71/58/360437158.db2.gz IMUDIDFJRMGBFY-SECBINFHSA-N 0 3 286.313 0.005 20 5 CCBDHN CCN1CCC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000594895623 360410910 /nfs/dbraw/zinc/41/09/10/360410910.db2.gz KMWODIFEMIUZGI-LLVKDONJSA-N 0 3 298.320 0.989 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595606536 360594772 /nfs/dbraw/zinc/59/47/72/360594772.db2.gz HPNRPPNDZCGPPB-NSHDSACASA-N 0 3 291.315 0.405 20 5 CCBDHN Nc1c(C(=O)N2CC[C@@H](F)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000595947768 360726434 /nfs/dbraw/zinc/72/64/34/360726434.db2.gz NWFIGEWYZYAEKT-RKDXNWHRSA-N 0 3 282.275 0.688 20 5 CCBDHN COCCN1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596089675 360791969 /nfs/dbraw/zinc/79/19/69/360791969.db2.gz ICPANCWVBBSKAP-UHFFFAOYSA-N 0 3 295.343 0.517 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597654169 361174593 /nfs/dbraw/zinc/17/45/93/361174593.db2.gz PGIIIQKCTFDNDR-NSHDSACASA-N 0 3 299.302 0.315 20 5 CCBDHN C[C@H](C(=O)N[C@@H](CO)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597652662 361174699 /nfs/dbraw/zinc/17/46/99/361174699.db2.gz DJGBOYNHEPPWCK-CMPLNLGQSA-N 0 3 295.339 0.737 20 5 CCBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000330613370 203039518 /nfs/dbraw/zinc/03/95/18/203039518.db2.gz RYVWZMAODJVLRI-UHFFFAOYSA-N 0 3 267.289 0.486 20 5 CCBDHN CCN1CCC(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000330651601 203078716 /nfs/dbraw/zinc/07/87/16/203078716.db2.gz KDOMXSZJGWCEQJ-UHFFFAOYSA-N 0 3 295.343 0.851 20 5 CCBDHN Cc1ncsc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516275568 249158607 /nfs/dbraw/zinc/15/86/07/249158607.db2.gz SMNNVHDJKROVQF-SNVBAGLBSA-N 0 3 297.340 0.707 20 5 CCBDHN C[C@H](O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000249208467 285105862 /nfs/dbraw/zinc/10/58/62/285105862.db2.gz CDBUABOGVNNRCS-NEPJUHHUSA-N 0 3 297.359 0.178 20 5 CCBDHN C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086471443 389008217 /nfs/dbraw/zinc/00/82/17/389008217.db2.gz MQZCEDHWXIXNES-IUCAKERBSA-N 0 3 278.312 0.880 20 5 CCBDHN CCN1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000193717255 389078980 /nfs/dbraw/zinc/07/89/80/389078980.db2.gz GBUCFDXAEVHBHY-VIFPVBQESA-N 0 3 293.327 0.985 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C[NH3+])cc1C ZINC000111303279 389103396 /nfs/dbraw/zinc/10/33/96/389103396.db2.gz YXSNDLHMNCPICG-SECBINFHSA-N 0 3 287.341 0.837 20 5 CCBDHN CCN1CCCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000129956806 389195884 /nfs/dbraw/zinc/19/58/84/389195884.db2.gz CTOYMOFXFZYUGL-GFCCVEGCSA-N 0 3 295.343 0.782 20 5 CCBDHN NC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000237905441 389196641 /nfs/dbraw/zinc/19/66/41/389196641.db2.gz GKCKPSJUYZAYMM-UHFFFAOYSA-N 0 3 261.281 0.971 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](N(C)C)C2)n1 ZINC000166758758 389442643 /nfs/dbraw/zinc/44/26/43/389442643.db2.gz MVMBMEOOUQNNQO-SECBINFHSA-N 0 3 294.311 0.917 20 5 CCBDHN CN(C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351525016 389605348 /nfs/dbraw/zinc/60/53/48/389605348.db2.gz QPQWPMWWQNJZFY-UHFFFAOYSA-N 0 3 298.274 0.350 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCNCC1 ZINC000428425511 389696931 /nfs/dbraw/zinc/69/69/31/389696931.db2.gz ZWPVWXUNICDHFD-UHFFFAOYSA-N 0 3 281.316 0.312 20 5 CCBDHN CC(C)OC[C@@H](CO)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000433139905 389900718 /nfs/dbraw/zinc/90/07/18/389900718.db2.gz DEMBGSVSWGGGCY-LLVKDONJSA-N 0 3 286.332 0.509 20 5 CCBDHN C[C@@H]1COCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000433152603 389901594 /nfs/dbraw/zinc/90/15/94/389901594.db2.gz RYOITPXCIQZJMK-RKDXNWHRSA-N 0 3 254.290 0.843 20 5 CCBDHN CNCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000440836838 390045766 /nfs/dbraw/zinc/04/57/66/390045766.db2.gz XLAUTDUSYWPEAX-UHFFFAOYSA-N 0 3 287.341 0.743 20 5 CCBDHN CC1(C)CCCN1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000457055586 390025405 /nfs/dbraw/zinc/02/54/05/390025405.db2.gz NDCZISLJNSTWBM-UHFFFAOYSA-N 0 3 281.316 0.922 20 5 CCBDHN CCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000572016004 390764313 /nfs/dbraw/zinc/76/43/13/390764313.db2.gz SJBJBIFLUULMDO-SECBINFHSA-N 0 3 289.719 0.723 20 5 CCBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189816720 130024702 /nfs/dbraw/zinc/02/47/02/130024702.db2.gz APRMDWCDZDZUKQ-UHFFFAOYSA-N 0 3 296.327 0.221 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@]23CCOC3)c1 ZINC000341963261 130177252 /nfs/dbraw/zinc/17/72/52/130177252.db2.gz FLPVXSCSNSRDGA-QWHCGFSZSA-N 0 3 296.327 0.407 20 5 CCBDHN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)CN1 ZINC000237419431 131029446 /nfs/dbraw/zinc/02/94/46/131029446.db2.gz RNTRAMADLAIRST-NXEZZACHSA-N 0 3 281.316 0.390 20 5 CCBDHN CC(C)N1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000263903017 131357132 /nfs/dbraw/zinc/35/71/32/131357132.db2.gz BVVIGCBYHWVSQF-UHFFFAOYSA-N 0 3 295.343 0.734 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCC1=CCN(C)CC1 ZINC000356729108 144027581 /nfs/dbraw/zinc/02/75/81/144027581.db2.gz GMXIIYXNTXVOLS-UHFFFAOYSA-N 0 3 279.300 0.320 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356742923 144029258 /nfs/dbraw/zinc/02/92/58/144029258.db2.gz URFKTBRKKJRKSN-PSASIEDQSA-N 0 3 293.327 0.541 20 5 CCBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548938409 286080866 /nfs/dbraw/zinc/08/08/66/286080866.db2.gz UGAHEJNUPFULQO-VIFPVBQESA-N 0 3 281.316 0.874 20 5 CCBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000552132053 286154632 /nfs/dbraw/zinc/15/46/32/286154632.db2.gz WDPYLACYRJEIMM-VIFPVBQESA-N 0 3 281.316 0.874 20 5 CCBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285183106 196216325 /nfs/dbraw/zinc/21/63/25/196216325.db2.gz NRDTWHYECWLJGR-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCNC2)c1 ZINC000071397271 176150818 /nfs/dbraw/zinc/15/08/18/176150818.db2.gz VKHLBIDMZOSZNB-VIFPVBQESA-N 0 3 285.325 0.625 20 5 CCBDHN CCN(CCO)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000183971804 276132878 /nfs/dbraw/zinc/13/28/78/276132878.db2.gz CLIATWPXUOLMNC-UHFFFAOYSA-N 0 3 295.339 0.947 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]([NH3+])C1CC1 ZINC000133127922 281261833 /nfs/dbraw/zinc/26/18/33/281261833.db2.gz ISPKWGSOONAPJA-SNVBAGLBSA-N 0 3 299.352 0.919 20 5 CCBDHN Cc1nn(CCC(=O)N[C@@H](C)CN(C)C)c(C)c1[N+](=O)[O-] ZINC000287211408 302805446 /nfs/dbraw/zinc/80/54/46/302805446.db2.gz NTHPLWQEYOFFSQ-VIFPVBQESA-N 0 3 297.359 0.865 20 5 CCBDHN O=C(N[C@@H]1CNCCC1(F)F)c1[nH]ncc1[N+](=O)[O-] ZINC000572841334 328112149 /nfs/dbraw/zinc/11/21/49/328112149.db2.gz PJNBCLAEMMOSQI-ZCFIWIBFSA-N 0 3 275.215 0.045 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1CCO ZINC000426202959 534321796 /nfs/dbraw/zinc/32/17/96/534321796.db2.gz XHMMRUPKUYOJFO-LLVKDONJSA-N 0 3 281.312 0.603 20 5 CCBDHN CC(=O)N1CC[C@H](CN(C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000156466533 519625548 /nfs/dbraw/zinc/62/55/48/519625548.db2.gz LQNWBAXSMSLVKP-GFCCVEGCSA-N 0 3 295.343 0.592 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000157361629 526622570 /nfs/dbraw/zinc/62/25/70/526622570.db2.gz CCTTZSBMODVCMM-SECBINFHSA-N 0 3 299.714 0.966 20 5 CCBDHN CC(C)[C@H](CN(C)C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000733168448 581868994 /nfs/dbraw/zinc/86/89/94/581868994.db2.gz UKBPVXYJNXVDFM-LBPRGKRZSA-N 0 3 297.359 0.884 20 5 CCBDHN C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCCCC1 ZINC000763963969 582022726 /nfs/dbraw/zinc/02/27/26/582022726.db2.gz MNPZSDWAZYXNLH-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCCCC1 ZINC000763963969 582022729 /nfs/dbraw/zinc/02/27/29/582022729.db2.gz MNPZSDWAZYXNLH-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN CN(C)CCOC1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000738206668 582028957 /nfs/dbraw/zinc/02/89/57/582028957.db2.gz AXQMZXUMUWEBEM-UHFFFAOYSA-N 0 3 297.359 0.791 20 5 CCBDHN CC(C)CCC(=O)NCC(=O)OCC(C)[N+](=O)[O-] ZINC000813106725 614022577 /nfs/dbraw/zinc/02/25/77/614022577.db2.gz GEPDIWOEKDNXOF-VIFPVBQESA-N 0 3 260.290 0.747 20 5 CCBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])N1CCCC1=O ZINC000813115090 614194621 /nfs/dbraw/zinc/19/46/21/614194621.db2.gz KLSVNJJFTKDIMV-GXSJLCMTSA-N 0 3 272.301 0.842 20 5 CCBDHN CC(=O)N1CC[C@](C)(C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813111601 613579456 /nfs/dbraw/zinc/57/94/56/613579456.db2.gz VMVHHMWTPTVXNN-KCJUWKMLSA-N 0 3 258.274 0.453 20 5 CCBDHN CCc1nnc([C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC000849806160 615757444 /nfs/dbraw/zinc/75/74/44/615757444.db2.gz DYXAYVLNCXKAIB-RRKCRQDMSA-N 0 3 254.246 0.637 20 5 CCBDHN CCc1nc([C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])n[nH]1 ZINC000849806160 615757446 /nfs/dbraw/zinc/75/74/46/615757446.db2.gz DYXAYVLNCXKAIB-RRKCRQDMSA-N 0 3 254.246 0.637 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000912608745 616101022 /nfs/dbraw/zinc/10/10/22/616101022.db2.gz NHTHDAYJXJKCBE-UHFFFAOYSA-N 0 3 299.302 0.730 20 5 CCBDHN CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000924999251 616106171 /nfs/dbraw/zinc/10/61/71/616106171.db2.gz MUEHFIIYHBDKIB-UHFFFAOYSA-N 0 3 285.275 0.388 20 5 CCBDHN COCC1(C(=O)OCC(C)[N+](=O)[O-])CCOCC1 ZINC000813106945 616752637 /nfs/dbraw/zinc/75/26/37/616752637.db2.gz IKQOOHPVQTVJOD-SECBINFHSA-N 0 3 261.274 0.638 20 5 CCBDHN COC[C@@H](CCO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843082304 616850109 /nfs/dbraw/zinc/85/01/09/616850109.db2.gz BQDLQBMMXVPGCZ-YPMHNXCESA-N 0 3 284.312 0.615 20 5 CCBDHN CN1C[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000312757970 625570377 /nfs/dbraw/zinc/57/03/77/625570377.db2.gz WWDXYYMNRNJYHE-JQWIXIFHSA-N 0 3 279.296 0.449 20 5 CCBDHN C[C@]1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CN2CCC1CC2 ZINC000892788353 623839475 /nfs/dbraw/zinc/83/94/75/623839475.db2.gz CTHONVKYKHBBPI-ZDUSSCGKSA-N 0 3 293.327 0.392 20 5 CCBDHN CC(COC(=O)CCOC1CCOCC1)[N+](=O)[O-] ZINC000813115811 624679739 /nfs/dbraw/zinc/67/97/39/624679739.db2.gz ZZFSTJIPMYUJME-SECBINFHSA-N 0 3 261.274 0.781 20 5 CCBDHN O=[N+]([O-])CCNCCn1ccc(C(F)(F)F)n1 ZINC000905407374 634860641 /nfs/dbraw/zinc/86/06/41/634860641.db2.gz GSWFOACOGMRPKM-UHFFFAOYSA-N 0 3 252.196 0.768 20 5 CCBDHN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNCC[N+](=O)[O-])O2 ZINC000905486582 634871203 /nfs/dbraw/zinc/87/12/03/634871203.db2.gz OJZDPBLQVYEXNG-WRWGMCAJSA-N 0 3 258.318 0.825 20 5 CCBDHN CC(COC(=O)[C@@H](C)n1nnnc1C(C)(C)C)[N+](=O)[O-] ZINC000813110453 641023842 /nfs/dbraw/zinc/02/38/42/641023842.db2.gz AYNYCUYDESLZFN-JGVFFNPUSA-N 0 3 285.304 0.740 20 5 CCBDHN CC(COC(=O)c1ccc(OCC(N)=O)cc1)[N+](=O)[O-] ZINC000813111728 641024540 /nfs/dbraw/zinc/02/45/40/641024540.db2.gz KQMHPRFRARIYHG-QMMMGPOBSA-N 0 3 282.252 0.373 20 5 CCBDHN C[C@H](C[N+](=O)[O-])OC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000814048623 641055049 /nfs/dbraw/zinc/05/50/49/641055049.db2.gz VTZYDFUFNBQAEJ-FSDSQADBSA-N 0 3 298.217 0.652 20 5 CCBDHN Nc1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000848766019 643676763 /nfs/dbraw/zinc/67/67/63/643676763.db2.gz LJVTVJCDAJTGPD-WDEREUQCSA-N 0 3 278.312 0.432 20 5 CCBDHN C[C@@H](NC[C@@H]1COCCN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000863545048 645105383 /nfs/dbraw/zinc/10/53/83/645105383.db2.gz GZUOTMBIZHZBTQ-MWLCHTKSSA-N 0 3 280.328 0.816 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@@H](C)C1 ZINC000878315886 646890849 /nfs/dbraw/zinc/89/08/49/646890849.db2.gz DFAOYSVDWLVJIY-JTQLQIEISA-N 0 3 267.333 0.736 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928442276 648635116 /nfs/dbraw/zinc/63/51/16/648635116.db2.gz APLJORKESOGIIL-WPRPVWTQSA-N 0 3 281.316 0.309 20 5 CCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234447683 806246686 /nfs/dbraw/zinc/24/66/86/806246686.db2.gz PKCLJRRVUQATQE-SECBINFHSA-O 0 3 294.331 0.631 20 5 CCBDHN CCN1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2C)C[C@@H]1C ZINC001121298446 799029706 /nfs/dbraw/zinc/02/97/06/799029706.db2.gz HLIOBXNFCDNBTC-UWVGGRQHSA-N 0 3 282.348 0.511 20 5 CCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccn[nH]1 ZINC001123891041 799496536 /nfs/dbraw/zinc/49/65/36/799496536.db2.gz JRKKLAATZGBPSO-UHFFFAOYSA-N 0 3 289.295 0.838 20 5 CCBDHN CC(C)C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154723973 800834507 /nfs/dbraw/zinc/83/45/07/800834507.db2.gz PYSKEOKPPKNSFE-UHFFFAOYSA-N 0 3 283.332 0.580 20 5 CCBDHN Cc1nnc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001157761399 801473132 /nfs/dbraw/zinc/47/31/32/801473132.db2.gz QZWYXJVWKBRMLO-RKDXNWHRSA-N 0 3 299.356 0.108 20 5 CCBDHN COc1nc(C)c([N+](=O)[O-])c(N2CCNC3(CC3)C2)n1 ZINC001158936329 801725183 /nfs/dbraw/zinc/72/51/83/801725183.db2.gz BYRLNQGABINCKH-UHFFFAOYSA-N 0 3 279.300 0.644 20 5 CCBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ccc([N+](=O)[O-])c(C)n1 ZINC001159292948 801785891 /nfs/dbraw/zinc/78/58/91/801785891.db2.gz OGYKUJOEISBTMK-UHFFFAOYSA-N 0 3 277.284 0.999 20 5 CCBDHN CN1CCO[C@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001162687434 802393990 /nfs/dbraw/zinc/39/39/90/802393990.db2.gz BTKNOVLAKNHUTI-GFCCVEGCSA-N 0 3 292.339 0.941 20 5 CCBDHN O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]c2nc(Cl)ccc2[N+](=O)[O-])N1 ZINC001163251201 802518316 /nfs/dbraw/zinc/51/83/16/802518316.db2.gz QKVMKKLOOLUKOX-CPCISQLKSA-N 0 3 297.702 0.633 20 5 CCBDHN O=[N+]([O-])c1ncccc1N1CC(N[C@H]2CCOC2)C1 ZINC001164234485 802693508 /nfs/dbraw/zinc/69/35/08/802693508.db2.gz PLQBEWAAQKTLBE-VIFPVBQESA-N 0 3 264.285 0.557 20 5 CCBDHN O=[N+]([O-])c1cnc(-n2cnc3c2CNCC3)c(F)c1 ZINC001164313901 802720441 /nfs/dbraw/zinc/72/04/41/802720441.db2.gz VXIUUMXGHWCTQJ-UHFFFAOYSA-N 0 3 263.232 0.960 20 5 CCBDHN COc1nc(-n2ncc3c2CCNC3)ncc1[N+](=O)[O-] ZINC001165218435 802797759 /nfs/dbraw/zinc/79/77/59/802797759.db2.gz LLZXQTRNDSCYPO-UHFFFAOYSA-N 0 3 276.256 0.225 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)CCO)c1 ZINC000899734524 815222048 /nfs/dbraw/zinc/22/20/48/815222048.db2.gz JKTYKNXOHWUVGU-UHFFFAOYSA-N 0 3 281.312 0.557 20 5 CCBDHN COc1nc(-n2nccc2CN)ncc1[N+](=O)[O-] ZINC001155123940 822045474 /nfs/dbraw/zinc/04/54/74/822045474.db2.gz OQRMQEYDRADHNA-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN O=c1[nH][n-]cc1CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967849 836087674 /nfs/dbraw/zinc/08/76/74/836087674.db2.gz TXSPMWSXVJVRJE-DCAQKATOSA-N 0 3 268.317 0.533 20 5 CCBDHN NCc1cnnn1-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001169304128 836205306 /nfs/dbraw/zinc/20/53/06/836205306.db2.gz NZYLGWGXMHWWCM-UHFFFAOYSA-N 0 3 295.690 0.955 20 5 CCBDHN C[C@H](Nc1cc([N+](=O)[O-])c(=O)n(C)c1)[C@H]1CNCCO1 ZINC001170566450 838126576 /nfs/dbraw/zinc/12/65/76/838126576.db2.gz GCKLIKLSFCUSLY-GZMMTYOYSA-N 0 3 282.300 0.082 20 5 CCBDHN C[C@@H](Nc1cnc([N+](=O)[O-])cn1)[C@H]1CNCCO1 ZINC001170572185 838147547 /nfs/dbraw/zinc/14/75/47/838147547.db2.gz PIOGIWVXIZJGFZ-HTQZYQBOSA-N 0 3 253.262 0.174 20 5 CCBDHN CC(COC(=O)CN1C(=O)COc2ccccc21)[N+](=O)[O-] ZINC000813101576 838676203 /nfs/dbraw/zinc/67/62/03/838676203.db2.gz DOGJTNGLVJVDCD-VIFPVBQESA-N 0 3 294.263 0.620 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1C ZINC000719497420 848848712 /nfs/dbraw/zinc/84/87/12/848848712.db2.gz SKDHZPFVKVXLJR-PSASIEDQSA-N 0 3 278.312 0.999 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1C ZINC000719497421 848848854 /nfs/dbraw/zinc/84/88/54/848848854.db2.gz SKDHZPFVKVXLJR-SCZZXKLOSA-N 0 3 278.312 0.999 20 5 CCBDHN CN1CCNC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000686127346 849062788 /nfs/dbraw/zinc/06/27/88/849062788.db2.gz ZPFAQTZWQOLROG-GFCCVEGCSA-N 0 3 278.312 0.115 20 5 CCBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H]1CCCN(C)C1 ZINC001310517761 908502511 /nfs/dbraw/zinc/50/25/11/908502511.db2.gz CHFXPCWSUYAOMV-JTQLQIEISA-N 0 3 293.327 0.936 20 5 CCBDHN C[C@@H]1CCCN1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001322757200 911939884 /nfs/dbraw/zinc/93/98/84/911939884.db2.gz OULDOHSLHCQXLD-MRVPVSSYSA-N 0 3 267.289 0.532 20 5 CCBDHN CC1(C)[C@@H](NCC[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC001335470210 920218945 /nfs/dbraw/zinc/21/89/45/920218945.db2.gz UACUYWITOSGFPA-QWRGUYRKSA-N 0 3 257.334 0.352 20 5 CCBDHN C[C@H](NC(=O)[C@@H]1CNCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC001340994505 922310864 /nfs/dbraw/zinc/31/08/64/922310864.db2.gz IULJWJXPJPTHPE-GWCFXTLKSA-N 0 3 292.339 0.676 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC1(O)CCCC1 ZINC000090589160 349438345 /nfs/dbraw/zinc/43/83/45/349438345.db2.gz XHULFWCJPXIURJ-UHFFFAOYSA-N 0 3 295.339 0.993 20 5 CCBDHN C[C@H](O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090565238 349438773 /nfs/dbraw/zinc/43/87/73/349438773.db2.gz KQMZECQINPMIBU-NWDGAFQWSA-N 0 3 295.339 0.849 20 5 CCBDHN CCc1[nH]nc(C(=O)N2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000599952411 361841309 /nfs/dbraw/zinc/84/13/09/361841309.db2.gz NLMSYMWSWVLRTN-UHFFFAOYSA-N 0 3 290.283 0.802 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CCC[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000109051779 349753314 /nfs/dbraw/zinc/75/33/14/349753314.db2.gz FXNPFDCPZWJRAT-SNVBAGLBSA-N 0 3 295.343 0.803 20 5 CCBDHN CCN(C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000112926231 349795866 /nfs/dbraw/zinc/79/58/66/349795866.db2.gz BMJZYUWDRRDUTQ-UHFFFAOYSA-N 0 3 284.291 0.998 20 5 CCBDHN CN(C)[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000272497315 282263778 /nfs/dbraw/zinc/26/37/78/282263778.db2.gz SKRHZOSBDUDOCH-VIFPVBQESA-N 0 3 278.312 0.953 20 5 CCBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000118494680 349903114 /nfs/dbraw/zinc/90/31/14/349903114.db2.gz DROFJZWUCUFWKH-VIFPVBQESA-N 0 3 295.343 0.952 20 5 CCBDHN COCC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304301487 232008457 /nfs/dbraw/zinc/00/84/57/232008457.db2.gz IAWMGKQNAMNDID-ZDUSSCGKSA-N 0 3 298.343 0.511 20 5 CCBDHN CC[C@@]1(O)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602810179 362812463 /nfs/dbraw/zinc/81/24/63/362812463.db2.gz FKMNQGBYKCIRJC-GFCCVEGCSA-N 0 3 268.317 0.947 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CC[NH3+] ZINC000311758235 137075572 /nfs/dbraw/zinc/07/55/72/137075572.db2.gz VYDOENDKJANXCP-SECBINFHSA-N 0 3 287.341 0.919 20 5 CCBDHN C[C@@H]1C[C@@H](O)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343711225 137151306 /nfs/dbraw/zinc/15/13/06/137151306.db2.gz FJXXKCHQUVKFQM-UTUOFQBUSA-N 0 3 296.323 0.790 20 5 CCBDHN COC(=O)c1cc(C(=O)NCCN(C)C)cc([N+](=O)[O-])c1 ZINC000120342344 349981724 /nfs/dbraw/zinc/98/17/24/349981724.db2.gz JLESCSOXXLBBJP-UHFFFAOYSA-N 0 3 295.295 0.673 20 5 CCBDHN Cc1ncc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000040997943 348246611 /nfs/dbraw/zinc/24/66/11/348246611.db2.gz BDKCJYYYEUCVOD-JTQLQIEISA-N 0 3 297.340 0.707 20 5 CCBDHN CN1CC[C@]2(CCN(C(=O)c3c([N+](=O)[O-])cnn3C)C2)C1 ZINC000346275765 137276388 /nfs/dbraw/zinc/27/63/88/137276388.db2.gz UOBBUWULNDFTAR-ZDUSSCGKSA-N 0 3 293.327 0.496 20 5 CCBDHN CO[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@@](C)(CO)C1 ZINC000602963783 362910808 /nfs/dbraw/zinc/91/08/08/362910808.db2.gz IKRMBJVPBQZHLB-CMPLNLGQSA-N 0 3 284.316 0.263 20 5 CCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347517865 137341131 /nfs/dbraw/zinc/34/11/31/137341131.db2.gz JIAOJEGFEOPCJX-NXEZZACHSA-N 0 3 295.343 0.741 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN(C)C ZINC000052893394 348517064 /nfs/dbraw/zinc/51/70/64/348517064.db2.gz JBSMZOCYETZKEB-UHFFFAOYSA-N 0 3 252.274 0.590 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCN(C)C1 ZINC000066050034 348732095 /nfs/dbraw/zinc/73/20/95/348732095.db2.gz JPFFBIVNPWQFKL-SNVBAGLBSA-N 0 3 281.316 0.310 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CNCCO1 ZINC000134269783 350359446 /nfs/dbraw/zinc/35/94/46/350359446.db2.gz SOBHOMFQWCNAOV-JTQLQIEISA-N 0 3 252.274 0.699 20 5 CCBDHN CC[C@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169189786 350836825 /nfs/dbraw/zinc/83/68/25/350836825.db2.gz NVJMCMMITUQANF-KOLCDFICSA-N 0 3 293.327 0.740 20 5 CCBDHN CCc1n[nH]c(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000176389872 351172620 /nfs/dbraw/zinc/17/26/20/351172620.db2.gz RNHRPDCJMLZFAD-UHFFFAOYSA-N 0 3 269.305 0.514 20 5 CCBDHN CCc1[nH]nc(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000176389872 351172623 /nfs/dbraw/zinc/17/26/23/351172623.db2.gz RNHRPDCJMLZFAD-UHFFFAOYSA-N 0 3 269.305 0.514 20 5 CCBDHN COCCNCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000212713300 351930769 /nfs/dbraw/zinc/93/07/69/351930769.db2.gz WSVLHCOXGJAREU-UHFFFAOYSA-N 0 3 267.285 0.561 20 5 CCBDHN COc1ccc(NC(=O)[C@@H](CN)OC)cc1[N+](=O)[O-] ZINC000227400924 352050412 /nfs/dbraw/zinc/05/04/12/352050412.db2.gz DYVOZHKNTLTDOW-SNVBAGLBSA-N 0 3 269.257 0.516 20 5 CCBDHN CN(C)CCOCCNc1cccnc1[N+](=O)[O-] ZINC000231208088 352126250 /nfs/dbraw/zinc/12/62/50/352126250.db2.gz VZHKCEANPBMQTH-UHFFFAOYSA-N 0 3 254.290 0.980 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CSCCN1 ZINC000603417832 363121800 /nfs/dbraw/zinc/12/18/00/363121800.db2.gz CBFZYAKHXUEYJQ-SSDOTTSWSA-N 0 3 257.319 0.445 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@H]2CSCCN2)s1 ZINC000603419690 363124209 /nfs/dbraw/zinc/12/42/09/363124209.db2.gz PMZGCSDWQDEJDK-LURJTMIESA-N 0 3 260.344 0.590 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCS[C@H]3COCC[C@H]32)n1 ZINC000246592855 352374637 /nfs/dbraw/zinc/37/46/37/352374637.db2.gz CTVLYKFXLBSVGY-MNOVXSKESA-N 0 3 298.368 0.998 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000268219600 352817287 /nfs/dbraw/zinc/81/72/87/352817287.db2.gz LSVWXGBEHFLBAK-CABZTGNLSA-N 0 3 293.327 0.390 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000268217282 352817802 /nfs/dbraw/zinc/81/78/02/352817802.db2.gz PUBLIKSVGNCADU-MWLCHTKSSA-N 0 3 293.327 0.390 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271099453 353022528 /nfs/dbraw/zinc/02/25/28/353022528.db2.gz JUQOHRBOAYXYPO-VIFPVBQESA-N 0 3 281.316 0.542 20 5 CCBDHN C[C@@H](O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272597800 353078509 /nfs/dbraw/zinc/07/85/09/353078509.db2.gz QKLLOKSOCNKISO-NXEZZACHSA-N 0 3 254.290 0.494 20 5 CCBDHN O=[N+]([O-])c1ccccc1OCCN1[C@@H](CO)CC[C@@H]1CO ZINC000287443853 353646854 /nfs/dbraw/zinc/64/68/54/353646854.db2.gz QHFDQSKIZORVOW-VXGBXAGGSA-N 0 3 296.323 0.791 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCC[C@]1(C)CO ZINC000331189464 354484546 /nfs/dbraw/zinc/48/45/46/354484546.db2.gz VGVYAERZJOOJEE-ZYHUDNBSSA-N 0 3 268.317 0.969 20 5 CCBDHN C[C@@H]1COCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331432935 354572953 /nfs/dbraw/zinc/57/29/53/354572953.db2.gz DBCACKDWUAUUGF-JQWIXIFHSA-N 0 3 284.316 0.121 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CCN1C ZINC000558750240 291071519 /nfs/dbraw/zinc/07/15/19/291071519.db2.gz XMYAUXBLZUYCPS-JGVFFNPUSA-N 0 3 267.289 0.530 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CCN1C ZINC000558750243 291071855 /nfs/dbraw/zinc/07/18/55/291071855.db2.gz XMYAUXBLZUYCPS-YUMQZZPRSA-N 0 3 267.289 0.530 20 5 CCBDHN CC(C)CN(CCN(C)C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558766154 291072722 /nfs/dbraw/zinc/07/27/22/291072722.db2.gz VMQIGWJHURYYQL-UHFFFAOYSA-N 0 3 283.332 0.978 20 5 CCBDHN CC(C)[C@H](CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000359827228 137967946 /nfs/dbraw/zinc/96/79/46/137967946.db2.gz DFVDPTVAOAFZOS-NSHDSACASA-N 0 3 281.312 0.800 20 5 CCBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCN1C ZINC000354629444 356458265 /nfs/dbraw/zinc/45/82/65/356458265.db2.gz XJOZLLZAZMHSRS-JGVFFNPUSA-N 0 3 267.289 0.530 20 5 CCBDHN Cn1c(C(=O)NCC2(O)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000354713332 356481233 /nfs/dbraw/zinc/48/12/33/356481233.db2.gz PSJUFGRPDJDIJG-UHFFFAOYSA-N 0 3 296.327 0.120 20 5 CCBDHN NC(=O)C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000175248754 283292194 /nfs/dbraw/zinc/29/21/94/283292194.db2.gz BUSHBGIZLUCAGB-JTQLQIEISA-N 0 3 281.316 0.379 20 5 CCBDHN Cc1nc(NC[C@H]2CCCN2CCCO)ncc1[N+](=O)[O-] ZINC000450590845 236097837 /nfs/dbraw/zinc/09/78/37/236097837.db2.gz DXTPWZSOIZJVQF-LLVKDONJSA-N 0 3 295.343 0.374 20 5 CCBDHN CN1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])n3C)C[C@@H]21 ZINC000408461820 358107544 /nfs/dbraw/zinc/10/75/44/358107544.db2.gz BHRGNKSMCDGSIS-KOLCDFICSA-N 0 3 278.312 0.709 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000582369633 359141166 /nfs/dbraw/zinc/14/11/66/359141166.db2.gz RFZWSMMZPCLCBZ-STQMWFEESA-N 0 3 293.323 0.650 20 5 CCBDHN CC[C@@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000584054210 359163911 /nfs/dbraw/zinc/16/39/11/359163911.db2.gz LZLRDOGKBDPXBP-SNVBAGLBSA-N 0 3 264.285 0.612 20 5 CCBDHN Cc1cc(N[C@@H](CO)CN(C)C)ncc1[N+](=O)[O-] ZINC000589102002 359358599 /nfs/dbraw/zinc/35/85/99/359358599.db2.gz SJQDKBRXPDMBJC-SECBINFHSA-N 0 3 254.290 0.633 20 5 CCBDHN CCc1n[nH]c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000590776532 359523267 /nfs/dbraw/zinc/52/32/67/359523267.db2.gz UQVMGRWUVXIUPA-WCBMZHEXSA-N 0 3 293.327 0.656 20 5 CCBDHN CCc1[nH]nc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000590776532 359523268 /nfs/dbraw/zinc/52/32/68/359523268.db2.gz UQVMGRWUVXIUPA-WCBMZHEXSA-N 0 3 293.327 0.656 20 5 CCBDHN CC[C@@H](CN1CCCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000611206682 363680773 /nfs/dbraw/zinc/68/07/73/363680773.db2.gz NSCJAWCXSGMJKK-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000594570262 360331590 /nfs/dbraw/zinc/33/15/90/360331590.db2.gz MKMHVEYTEZQLJI-LBPRGKRZSA-N 0 3 299.327 0.004 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1O ZINC000595743593 360635549 /nfs/dbraw/zinc/63/55/49/360635549.db2.gz PKEUPXNBMJPSCF-NXEZZACHSA-N 0 3 268.317 0.740 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2COC[C@@H]2C1 ZINC000595826929 360669628 /nfs/dbraw/zinc/66/96/28/360669628.db2.gz BEBJIRCFNXIXBQ-NEPJUHHUSA-N 0 3 293.323 0.725 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC3(COC3)C2)c1 ZINC000595831954 360671025 /nfs/dbraw/zinc/67/10/25/360671025.db2.gz AJZUUXIDFDUUOG-UHFFFAOYSA-N 0 3 252.274 0.514 20 5 CCBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1[N+](=O)[O-] ZINC000595946243 360724357 /nfs/dbraw/zinc/72/43/57/360724357.db2.gz CKNBCZKLBTYACP-HTQZYQBOSA-N 0 3 299.306 0.782 20 5 CCBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1[N+](=O)[O-] ZINC000595946243 360724362 /nfs/dbraw/zinc/72/43/62/360724362.db2.gz CKNBCZKLBTYACP-HTQZYQBOSA-N 0 3 299.306 0.782 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000178724107 189140331 /nfs/dbraw/zinc/14/03/31/189140331.db2.gz SZZRZIMLJOEFQB-NSHDSACASA-N 0 3 287.341 0.699 20 5 CCBDHN CNc1nccc(C(=O)NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000563547000 291237074 /nfs/dbraw/zinc/23/70/74/291237074.db2.gz NEKUJFMHVVOIHC-SECBINFHSA-N 0 3 293.327 0.135 20 5 CCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595987590 360762827 /nfs/dbraw/zinc/76/28/27/360762827.db2.gz AYPXXGKGAQKGAO-VXNVDRBHSA-N 0 3 282.275 0.688 20 5 CCBDHN CNc1ccc(C(=O)N[C@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000597652421 361173709 /nfs/dbraw/zinc/17/37/09/361173709.db2.gz BODJEYJGEPOBMS-JTQLQIEISA-N 0 3 296.327 0.289 20 5 CCBDHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000564099331 291266742 /nfs/dbraw/zinc/26/67/42/291266742.db2.gz IELJAPRZRDMMHD-SNVBAGLBSA-N 0 3 272.305 0.039 20 5 CCBDHN Cc1n[nH]c(C(=O)NC(C)(C)CN(C)C)c1[N+](=O)[O-] ZINC000598740624 361505379 /nfs/dbraw/zinc/50/53/79/361505379.db2.gz UJHOAVPZGAAULU-UHFFFAOYSA-N 0 3 269.305 0.696 20 5 CCBDHN CCN1CCC(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000330677568 203106426 /nfs/dbraw/zinc/10/64/26/203106426.db2.gz VLOQWQIIYRWKCX-UHFFFAOYSA-N 0 3 295.343 0.700 20 5 CCBDHN Cc1n[nH]c(C(=O)NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000330702378 203133444 /nfs/dbraw/zinc/13/34/44/203133444.db2.gz HYGVBLZKQXTZKF-MRVPVSSYSA-N 0 3 267.289 0.308 20 5 CCBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000123185298 284691184 /nfs/dbraw/zinc/69/11/84/284691184.db2.gz NVPBAEBUWDZJEN-VIFPVBQESA-N 0 3 281.316 0.874 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@H]([NH3+])C2)cc1C ZINC000479793423 285256444 /nfs/dbraw/zinc/25/64/44/285256444.db2.gz QQLCGFCSBJMVNZ-MGCOHNPYSA-N 0 3 299.352 0.980 20 5 CCBDHN CO[C@H](CN)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000289994842 388899514 /nfs/dbraw/zinc/89/95/14/388899514.db2.gz PAZKRSGEMCUMDE-LLVKDONJSA-N 0 3 265.269 0.458 20 5 CCBDHN CC(C)(O)CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000189906095 388977296 /nfs/dbraw/zinc/97/72/96/388977296.db2.gz RDTORVHSRUQXLJ-UHFFFAOYSA-N 0 3 295.339 0.992 20 5 CCBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@H]1CNCCO1 ZINC000313274294 389112745 /nfs/dbraw/zinc/11/27/45/389112745.db2.gz UGNLEWNSGKELHD-ZFDPJTLLSA-N 0 3 291.307 0.713 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](O)C2)c1 ZINC000216396250 389133278 /nfs/dbraw/zinc/13/32/78/389133278.db2.gz MWYJBYKXIOHLRM-OLZOCXBDSA-N 0 3 296.323 0.791 20 5 CCBDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000345896578 389317378 /nfs/dbraw/zinc/31/73/78/389317378.db2.gz AEEHSUKVVVEXCU-JTQLQIEISA-N 0 3 293.327 0.970 20 5 CCBDHN CCc1n[nH]c(C(=O)NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000264385921 389325100 /nfs/dbraw/zinc/32/51/00/389325100.db2.gz YBNFZOJFEOUYRC-UHFFFAOYSA-N 0 3 281.316 0.704 20 5 CCBDHN CN(C[C@@H]1CCCN1C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000421701277 389370238 /nfs/dbraw/zinc/37/02/38/389370238.db2.gz HJNKSAOMVNQMSP-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H]1N(C)C ZINC000270410652 389432035 /nfs/dbraw/zinc/43/20/35/389432035.db2.gz XGQKKIMQUMCEGC-RKDXNWHRSA-N 0 3 285.373 0.810 20 5 CCBDHN COC(=O)c1cnc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000276910296 389552874 /nfs/dbraw/zinc/55/28/74/389552874.db2.gz OYHPYGXRYOENPW-SNVBAGLBSA-N 0 3 294.311 0.917 20 5 CCBDHN O=C(C[C@@H]1CNCCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000430389083 389798749 /nfs/dbraw/zinc/79/87/49/389798749.db2.gz ZRFNDLWVOWSHQL-SNVBAGLBSA-N 0 3 291.307 0.862 20 5 CCBDHN CC(C)OC[C@H](CO)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000433139906 389900475 /nfs/dbraw/zinc/90/04/75/389900475.db2.gz DEMBGSVSWGGGCY-NSHDSACASA-N 0 3 286.332 0.509 20 5 CCBDHN CNC(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440498385 390037929 /nfs/dbraw/zinc/03/79/29/390037929.db2.gz JULIBAXCWGHMBI-SNVBAGLBSA-N 0 3 293.327 0.612 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000577814043 390846053 /nfs/dbraw/zinc/84/60/53/390846053.db2.gz NWDDRJZVFAMXOA-TZMCWYRMSA-N 0 3 280.324 0.812 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N(C)C)C2)n1 ZINC000191797841 130305556 /nfs/dbraw/zinc/30/55/56/130305556.db2.gz RNBWFVWVOZVRGS-JTQLQIEISA-N 0 3 295.343 0.977 20 5 CCBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000237318772 131023847 /nfs/dbraw/zinc/02/38/47/131023847.db2.gz YLHBUBRRFFXEHE-UHFFFAOYSA-N 0 3 287.341 0.931 20 5 CCBDHN C[C@@H](CO)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000245568145 131087597 /nfs/dbraw/zinc/08/75/97/131087597.db2.gz FTGYYZOYYCSUJT-JOYOIKCWSA-N 0 3 254.286 0.941 20 5 CCBDHN C[C@@H]1NCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000262743762 131257950 /nfs/dbraw/zinc/25/79/50/131257950.db2.gz FHPHZHDRKANXHG-UWVGGRQHSA-N 0 3 281.316 0.390 20 5 CCBDHN CCN(CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])C1CC1 ZINC000263765174 131325663 /nfs/dbraw/zinc/32/56/63/131325663.db2.gz RTMIMPZXJCGJPR-UHFFFAOYSA-N 0 3 281.316 0.840 20 5 CCBDHN COCCN(C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000263819498 131338319 /nfs/dbraw/zinc/33/83/19/131338319.db2.gz ZJGRUBHNGIBEBK-UHFFFAOYSA-N 0 3 281.312 0.903 20 5 CCBDHN CN(CC1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356455011 144004044 /nfs/dbraw/zinc/00/40/44/144004044.db2.gz GPPRDLAGFQMHEB-UHFFFAOYSA-N 0 3 295.343 0.742 20 5 CCBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C1=CCN(C)CC1 ZINC000356731328 144028053 /nfs/dbraw/zinc/02/80/53/144028053.db2.gz OYMQPGKMPAWJKY-VIFPVBQESA-N 0 3 293.327 0.709 20 5 CCBDHN COCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000357333726 144082961 /nfs/dbraw/zinc/08/29/61/144082961.db2.gz XCOMFMQRGJMREV-UHFFFAOYSA-N 0 3 298.343 0.631 20 5 CCBDHN CN(CC1CCN(C)CC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357906274 144131738 /nfs/dbraw/zinc/13/17/38/144131738.db2.gz GMGXXBKGBQQSOJ-UHFFFAOYSA-N 0 3 295.343 0.742 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358063313 144147188 /nfs/dbraw/zinc/14/71/88/144147188.db2.gz JCDHTJYROKMSTP-CYBMUJFWSA-N 0 3 294.311 0.095 20 5 CCBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCNCC1 ZINC000020362668 171161617 /nfs/dbraw/zinc/16/16/17/171161617.db2.gz CKPANNNHVHHVTQ-JTQLQIEISA-N 0 3 278.312 0.827 20 5 CCBDHN Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000285108546 196197998 /nfs/dbraw/zinc/19/79/98/196197998.db2.gz OIWPRUAYLTXNDB-UHFFFAOYSA-N 0 3 278.272 0.643 20 5 CCBDHN CN(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000170863627 273808331 /nfs/dbraw/zinc/80/83/31/273808331.db2.gz XNMSXEDOOXBCOK-MRVPVSSYSA-N 0 3 253.258 0.964 20 5 CCBDHN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1 ZINC000420250049 274364944 /nfs/dbraw/zinc/36/49/44/274364944.db2.gz YSFMWXMOTVEQCH-MRVPVSSYSA-N 0 3 262.273 0.436 20 5 CCBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](C)O ZINC000352194970 276134989 /nfs/dbraw/zinc/13/49/89/276134989.db2.gz NAQUSNVGDPJVSX-JTQLQIEISA-N 0 3 269.301 0.459 20 5 CCBDHN CN1C[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C[C@H]2C1 ZINC000357685518 277199998 /nfs/dbraw/zinc/19/99/98/277199998.db2.gz BLEKFMDRRJFKIS-RKDXNWHRSA-N 0 3 291.311 0.087 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262317626 278843474 /nfs/dbraw/zinc/84/34/74/278843474.db2.gz DRKWQFWLZUTWJF-DTWKUNHWSA-N 0 3 278.312 0.999 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCN1C ZINC000354629446 280105585 /nfs/dbraw/zinc/10/55/85/280105585.db2.gz XJOZLLZAZMHSRS-YUMQZZPRSA-N 0 3 267.289 0.530 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CNCCO1 ZINC000157358242 525561129 /nfs/dbraw/zinc/56/11/29/525561129.db2.gz QWGCCHRKUINMFP-LLVKDONJSA-N 0 3 279.296 0.621 20 5 CCBDHN CC(C)N1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000457107138 529075305 /nfs/dbraw/zinc/07/53/05/529075305.db2.gz DZZIUNUCEHGIMY-NSHDSACASA-N 0 3 295.343 0.732 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CN(C)C)C(C)C ZINC000744414791 581840828 /nfs/dbraw/zinc/84/08/28/581840828.db2.gz YKLHGGFIBPRAKD-LLVKDONJSA-N 0 3 297.359 0.802 20 5 CCBDHN CC(C)(CCC(=O)NCCN1CC[C@H](O)C1)[N+](=O)[O-] ZINC000863833978 614081179 /nfs/dbraw/zinc/08/11/79/614081179.db2.gz ZYKTVYRLTBBOGF-JTQLQIEISA-N 0 3 273.333 0.005 20 5 CCBDHN COc1ccc(C[C@](C)(CO)NCC[N+](=O)[O-])cc1 ZINC000933431606 617263241 /nfs/dbraw/zinc/26/32/41/617263241.db2.gz WZLFISDJSJLUSO-CYBMUJFWSA-N 0 3 268.313 0.855 20 5 CCBDHN CC1(C)C[C@H](O)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000879621779 614780471 /nfs/dbraw/zinc/78/04/71/614780471.db2.gz ZHOXXVPIIHNDOP-NSHDSACASA-N 0 3 268.317 0.884 20 5 CCBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H](C)N1 ZINC000856407860 615561112 /nfs/dbraw/zinc/56/11/12/615561112.db2.gz DXMLXRFEPQJIGH-DTWKUNHWSA-N 0 3 293.327 0.785 20 5 CCBDHN CN1CCC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819133432 616190590 /nfs/dbraw/zinc/19/05/90/616190590.db2.gz NELIBDUUFPICNG-OLZOCXBDSA-N 0 3 293.323 0.839 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825890884 616196306 /nfs/dbraw/zinc/19/63/06/616196306.db2.gz AGXWGCDNOULHOE-OLZOCXBDSA-N 0 3 293.323 0.839 20 5 CCBDHN COC(=O)[C@@H]1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000842364449 616361804 /nfs/dbraw/zinc/36/18/04/616361804.db2.gz XZZMXNHGLYVABL-HLTSFMKQSA-N 0 3 259.258 0.784 20 5 CCBDHN CO[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000851036390 616901443 /nfs/dbraw/zinc/90/14/43/616901443.db2.gz IYEYATKUDZTELI-PELKAZGASA-N 0 3 291.300 0.942 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN(C)CCO ZINC000899732754 633886414 /nfs/dbraw/zinc/88/64/14/633886414.db2.gz LYIZJKNZYDVQJF-UHFFFAOYSA-N 0 3 281.312 0.557 20 5 CCBDHN O=[N+]([O-])CCNC[C@H](c1ccccc1)N1CCOCC1 ZINC000899866137 633911279 /nfs/dbraw/zinc/91/12/79/633911279.db2.gz MGIGCLSUKDMOIR-CQSZACIVSA-N 0 3 279.340 0.926 20 5 CCBDHN C[C@@H]1CCNC(=O)[C@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799345937 640563976 /nfs/dbraw/zinc/56/39/76/640563976.db2.gz BUGJVPDBHPPOLW-WQAKAFBOSA-N 0 3 293.323 0.742 20 5 CCBDHN CC(COC(=O)[C@@H](C)Sc1nncn1C)[N+](=O)[O-] ZINC000813104125 641022124 /nfs/dbraw/zinc/02/21/24/641022124.db2.gz KIUVTBPXUKVSFL-NKWVEPMBSA-N 0 3 274.302 0.504 20 5 CCBDHN Cc1csc2ncc(C(=O)OCC(C)[N+](=O)[O-])c(=O)n12 ZINC000813108301 641023598 /nfs/dbraw/zinc/02/35/98/641023598.db2.gz CZOPTZFZWJXLGU-ZCFIWIBFSA-N 0 3 297.292 0.886 20 5 CCBDHN CC(COC(=O)c1ccc(N2CCCC2)nn1)[N+](=O)[O-] ZINC000813109982 641023707 /nfs/dbraw/zinc/02/37/07/641023707.db2.gz YCHOQFRUZPZEDB-VIFPVBQESA-N 0 3 280.284 0.899 20 5 CCBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1-n1cnnn1 ZINC000813112050 641024430 /nfs/dbraw/zinc/02/44/30/641024430.db2.gz MUMGCNOZPHRXSU-SECBINFHSA-N 0 3 291.267 0.793 20 5 CCBDHN CC(COC(=O)C[C@@H]1CCCS(=O)(=O)C1)[N+](=O)[O-] ZINC000816091120 641140630 /nfs/dbraw/zinc/14/06/30/641140630.db2.gz LPXVNHKSRLJCGC-IUCAKERBSA-N 0 3 279.314 0.410 20 5 CCBDHN CC(COC(=O)c1cn(CC2CC2)nn1)[N+](=O)[O-] ZINC000835457010 642665002 /nfs/dbraw/zinc/66/50/02/642665002.db2.gz VWEDYUALRZZDPC-ZETCQYMHSA-N 0 3 254.246 0.510 20 5 CCBDHN CC(COC(=O)COCC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000842801841 642955623 /nfs/dbraw/zinc/95/56/23/642955623.db2.gz NLSCUUCJPYVXJF-QMMMGPOBSA-N 0 3 277.273 0.553 20 5 CCBDHN CC(COC(=O)[C@H]1CCc2ncncc2C1)[N+](=O)[O-] ZINC000842801488 642955702 /nfs/dbraw/zinc/95/57/02/642955702.db2.gz ITMSXRFXOJLPEM-BDAKNGLRSA-N 0 3 265.269 0.790 20 5 CCBDHN CC(COC(=O)/C=C\c1ccc(C(N)=O)o1)[N+](=O)[O-] ZINC000853127059 644077588 /nfs/dbraw/zinc/07/75/88/644077588.db2.gz OFEYBVWOHSWXSX-YSCPKTQFSA-N 0 3 268.225 0.600 20 5 CCBDHN C[C@H](NCCn1cnnn1)c1ccc([N+](=O)[O-])cc1 ZINC000878659744 646953630 /nfs/dbraw/zinc/95/36/30/646953630.db2.gz HMTDFKSRMNIQTP-VIFPVBQESA-N 0 3 262.273 0.932 20 5 CCBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccnn1C ZINC000879685395 647093304 /nfs/dbraw/zinc/09/33/04/647093304.db2.gz VUMDRFPGQNYUBU-VIFPVBQESA-N 0 3 264.289 0.876 20 5 CCBDHN O=[N+]([O-])c1ncccc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000886247624 647934144 /nfs/dbraw/zinc/93/41/44/647934144.db2.gz WNXCKGGTJDBRFT-NWDGAFQWSA-N 0 3 281.312 0.867 20 5 CCBDHN C[C@@H](O)[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000930355480 648342244 /nfs/dbraw/zinc/34/22/44/648342244.db2.gz YPCIRYHCURJOSW-MFKMUULPSA-N 0 3 268.313 0.811 20 5 CCBDHN C[C@@H](O)[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000930355482 648342645 /nfs/dbraw/zinc/34/26/45/648342645.db2.gz YPCIRYHCURJOSW-ZWNOBZJWSA-N 0 3 268.313 0.811 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H]1CCN(C)C1 ZINC001167280890 790785208 /nfs/dbraw/zinc/78/52/08/790785208.db2.gz HDQCMZIPRPNJNS-QMMMGPOBSA-N 0 3 280.284 0.892 20 5 CCBDHN COCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122316070 799194934 /nfs/dbraw/zinc/19/49/34/799194934.db2.gz CPHALOYBGNTRBV-UHFFFAOYSA-N 0 3 267.285 0.447 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2nccc2CN)n1 ZINC001162591040 802373268 /nfs/dbraw/zinc/37/32/68/802373268.db2.gz LIRBUXKLXWZRHR-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(NC2CCN([C@H]3CCOC3)CC2)n1 ZINC001163760295 802607922 /nfs/dbraw/zinc/60/79/22/802607922.db2.gz YCNZPIXZANEHGD-NSHDSACASA-N 0 3 295.343 0.994 20 5 CCBDHN O=C1CC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)N1 ZINC001164168039 802681021 /nfs/dbraw/zinc/68/10/21/802681021.db2.gz ZGBVYTFNXNSRFM-JTQLQIEISA-N 0 3 276.296 0.889 20 5 CCBDHN CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)CCN ZINC001164296322 802710823 /nfs/dbraw/zinc/71/08/23/802710823.db2.gz FIRNMNRQQRBBCK-UHFFFAOYSA-N 0 3 293.732 0.973 20 5 CCBDHN COc1nc(-n2ncc3c2CCNC3)ccc1[N+](=O)[O-] ZINC001165218951 802798760 /nfs/dbraw/zinc/79/87/60/802798760.db2.gz SOKQSYMKYQAJKX-UHFFFAOYSA-N 0 3 275.268 0.830 20 5 CCBDHN CC[C@@](N)(CO)N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580926 808262524 /nfs/dbraw/zinc/26/25/24/808262524.db2.gz IACOVFMWUNRCKV-YPMHNXCESA-N 0 3 265.313 0.709 20 5 CCBDHN CN1CC[C@@H](N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001254580760 808262668 /nfs/dbraw/zinc/26/26/68/808262668.db2.gz FPAHGPOEHLHBMM-DGCLKSJQSA-N 0 3 275.308 0.882 20 5 CCBDHN CN(CCCNC(=O)C(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001265914921 809892938 /nfs/dbraw/zinc/89/29/38/809892938.db2.gz MSSJFJWEUUSFNR-UHFFFAOYSA-N 0 3 294.311 0.018 20 5 CCBDHN O=C(NC1CN(CCC2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292787 815962770 /nfs/dbraw/zinc/96/27/70/815962770.db2.gz VRYUJXUNIUHSGY-GHMZBOCLSA-N 0 3 253.302 0.252 20 5 CCBDHN C[C@@H](CN(C)C)Nc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001163776446 820335194 /nfs/dbraw/zinc/33/51/94/820335194.db2.gz AIVCOAGVBPTMNO-QMMMGPOBSA-N 0 3 254.290 0.656 20 5 CCBDHN COc1c(F)cc(-n2nncc2CN)cc1[N+](=O)[O-] ZINC001169310267 836209584 /nfs/dbraw/zinc/20/95/84/836209584.db2.gz SQMNVAXBSVFTDK-UHFFFAOYSA-N 0 3 267.220 0.782 20 5 CCBDHN CC(COC(=O)CCCNC(=O)c1cccnc1)[N+](=O)[O-] ZINC000813102515 838676924 /nfs/dbraw/zinc/67/69/24/838676924.db2.gz HBMWZBFCCDBJRJ-SNVBAGLBSA-N 0 3 295.295 0.800 20 5 CCBDHN C[C@H](Nc1cc([N+](=O)[O-])ccn1)[C@@H]1CNCCO1 ZINC001159489769 839303803 /nfs/dbraw/zinc/30/38/03/839303803.db2.gz RKAZQQSBQRFXIC-WPRPVWTQSA-N 0 3 252.274 0.779 20 5 CCBDHN CC(COC(=O)C1(n2cnnn2)CCCCC1)[N+](=O)[O-] ZINC000845577831 840063397 /nfs/dbraw/zinc/06/33/97/840063397.db2.gz YRDBRXDEIDOZTQ-SECBINFHSA-N 0 3 283.288 0.541 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(N[C@H](CO)CN(C)C)n1 ZINC000716779579 841679804 /nfs/dbraw/zinc/67/98/04/841679804.db2.gz PKZCVILKQJQMAT-VIFPVBQESA-N 0 3 254.290 0.633 20 5 CCBDHN Cc1c(CNC[C@H](O)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000717296938 848222613 /nfs/dbraw/zinc/22/26/13/848222613.db2.gz YONBGXZKHLZWRY-SKDRFNHKSA-N 0 3 254.286 0.735 20 5 CCBDHN CN1CCNC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000686124369 849061922 /nfs/dbraw/zinc/06/19/22/849061922.db2.gz SKRORLSNDSMDRI-GFCCVEGCSA-N 0 3 278.312 0.115 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2NC[C@@H]3C[C@@H]32)n1 ZINC001335379791 920157975 /nfs/dbraw/zinc/15/79/75/920157975.db2.gz BTEXGEGHCCLJFD-LYFYHCNISA-N 0 3 276.256 0.659 20 5 CCBDHN Cn1c(=O)ccc2c1CCC[C@H]2NCC[N+](=O)[O-] ZINC001335480792 920226130 /nfs/dbraw/zinc/22/61/30/920226130.db2.gz IFMIZMVORGYPKQ-SNVBAGLBSA-N 0 3 251.286 0.629 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)C2(O)CCC2)cc1 ZINC001336737401 920967987 /nfs/dbraw/zinc/96/79/87/920967987.db2.gz RBPGLWRGQGYCMR-LBPRGKRZSA-N 0 3 266.297 0.960 20 5 CCBDHN CN1CCNC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001341484423 922506687 /nfs/dbraw/zinc/50/66/87/922506687.db2.gz ROLZGOHTJUNFCO-ZDUSSCGKSA-N 0 3 292.339 0.157 20 5 CCBDHN CC(C)(Cn1cc(CNCC2CC2)nn1)[N+](=O)[O-] ZINC001348512365 924712850 /nfs/dbraw/zinc/71/28/50/924712850.db2.gz NQEMIIZAUZLSOS-UHFFFAOYSA-N 0 3 253.306 0.833 20 5 CCBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CNC2)c1C ZINC000090289340 349435516 /nfs/dbraw/zinc/43/55/16/349435516.db2.gz GQULUERCIQITES-UHFFFAOYSA-N 0 3 285.325 0.462 20 5 CCBDHN CCc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423986719 529605075 /nfs/dbraw/zinc/60/50/75/529605075.db2.gz GMFWJBXYLSPGQJ-LBPRGKRZSA-N 0 3 293.323 0.875 20 5 CCBDHN CN1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000452970102 529797809 /nfs/dbraw/zinc/79/78/09/529797809.db2.gz DNHHUWFCNBIRAC-SKDRFNHKSA-N 0 3 290.323 0.953 20 5 CCBDHN CN1CC[C@](O)(CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000358299711 529810136 /nfs/dbraw/zinc/81/01/36/529810136.db2.gz FNEJYJNBOPJOJX-NSHDSACASA-N 0 3 297.340 0.783 20 5 CCBDHN CN1C[C@@H]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)[C@@H]2C1 ZINC000425281241 529823824 /nfs/dbraw/zinc/82/38/24/529823824.db2.gz IRYPCRGNKZPIHG-WCBMZHEXSA-N 0 3 278.316 0.328 20 5 CCBDHN CN(C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000308677261 232014856 /nfs/dbraw/zinc/01/48/56/232014856.db2.gz HGMMNJOVBPBWIO-UHFFFAOYSA-N 0 3 281.316 0.642 20 5 CCBDHN CC1(C)[C@@H](O)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000361401424 535027584 /nfs/dbraw/zinc/02/75/84/535027584.db2.gz BCQHLPUPPBIYHA-NSHDSACASA-N 0 3 281.312 0.602 20 5 CCBDHN COC[C@]1(CO)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602835928 362827154 /nfs/dbraw/zinc/82/71/54/362827154.db2.gz AIQHGJNAXWLNJA-CYBMUJFWSA-N 0 3 298.343 0.431 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000602840051 362827985 /nfs/dbraw/zinc/82/79/85/362827985.db2.gz LCINPDKXQPCIGA-LLVKDONJSA-N 0 3 295.343 0.652 20 5 CCBDHN O=C(NCC1(O)CNC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000261575255 137009631 /nfs/dbraw/zinc/00/96/31/137009631.db2.gz YUVTVRYTEIJEEY-UHFFFAOYSA-N 0 3 266.257 0.051 20 5 CCBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCNCC1 ZINC000261781999 137019797 /nfs/dbraw/zinc/01/97/97/137019797.db2.gz KDIDKUAIAQBSCN-JTQLQIEISA-N 0 3 278.312 0.827 20 5 CCBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cnn(C)c1 ZINC000314384023 137078973 /nfs/dbraw/zinc/07/89/73/137078973.db2.gz UDOBFKVOHNETCK-CABZTGNLSA-N 0 3 294.315 0.237 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343529160 137140122 /nfs/dbraw/zinc/14/01/22/137140122.db2.gz VSYSILHHZPHGIM-JQWIXIFHSA-N 0 3 295.343 0.780 20 5 CCBDHN COC(=O)[C@@](C)(O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000343948830 137169474 /nfs/dbraw/zinc/16/94/74/137169474.db2.gz DKTVWKCAGUNMHP-AWEZNQCLSA-N 0 3 296.323 0.993 20 5 CCBDHN C[C@@H]1C[C@@H](CO)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000344133148 137179042 /nfs/dbraw/zinc/17/90/42/137179042.db2.gz POGFYRVCHGQWGP-NEPJUHHUSA-N 0 3 295.339 0.849 20 5 CCBDHN C[C@H]1[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCCN1C ZINC000343428129 137134133 /nfs/dbraw/zinc/13/41/33/137134133.db2.gz GYWMJCRUXYSYMK-VHSXEESVSA-N 0 3 281.316 0.390 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000035677544 348160111 /nfs/dbraw/zinc/16/01/11/348160111.db2.gz RQQTUTNHBQJEBQ-LLVKDONJSA-N 0 3 284.337 0.914 20 5 CCBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])nn3C)C2)C1 ZINC000346333847 137279641 /nfs/dbraw/zinc/27/96/41/137279641.db2.gz WGZANTGUCQCCNJ-CYBMUJFWSA-N 0 3 293.327 0.496 20 5 CCBDHN CN(CCCN1CCN(C)CC1)c1c([N+](=O)[O-])ncn1C ZINC000346652833 137296865 /nfs/dbraw/zinc/29/68/65/137296865.db2.gz LFMAAHJQPFDQDL-UHFFFAOYSA-N 0 3 296.375 0.402 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCN2[C@H](CO)CC[C@H]2CO)cc1 ZINC000347346235 137332588 /nfs/dbraw/zinc/33/25/88/137332588.db2.gz SZLQQSBFIPZWOA-STQMWFEESA-N 0 3 296.323 0.791 20 5 CCBDHN CCOC(=O)CCN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000050067668 348465820 /nfs/dbraw/zinc/46/58/20/348465820.db2.gz LJHWJYJCWOUACV-UHFFFAOYSA-N 0 3 284.316 0.985 20 5 CCBDHN C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N(C)C1CC1 ZINC000057707875 348614610 /nfs/dbraw/zinc/61/46/10/348614610.db2.gz DDARKNVBNOQFCF-VIFPVBQESA-N 0 3 281.316 0.390 20 5 CCBDHN CCN1CCC(N(C)c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076267776 349075908 /nfs/dbraw/zinc/07/59/08/349075908.db2.gz AHMLLUYOYBUHFP-UHFFFAOYSA-N 0 3 280.332 0.888 20 5 CCBDHN NC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000088130849 349357904 /nfs/dbraw/zinc/35/79/04/349357904.db2.gz CYLYOQCOMBKIJT-UHFFFAOYSA-N 0 3 291.311 0.130 20 5 CCBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)CN1 ZINC000086467734 349340142 /nfs/dbraw/zinc/34/01/42/349340142.db2.gz WCIQKXYEUSKHRT-RKDXNWHRSA-N 0 3 266.301 0.756 20 5 CCBDHN C[C@@H](O)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000089931568 349413999 /nfs/dbraw/zinc/41/39/99/349413999.db2.gz VPRCWAQHXCJKJF-MNOVXSKESA-N 0 3 268.317 0.884 20 5 CCBDHN C[C@H](O)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000089931565 349414173 /nfs/dbraw/zinc/41/41/73/349414173.db2.gz VPRCWAQHXCJKJF-WDEREUQCSA-N 0 3 268.317 0.884 20 5 CCBDHN CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000124351315 350096964 /nfs/dbraw/zinc/09/69/64/350096964.db2.gz AEHDUZHDRKTFRR-GFCCVEGCSA-N 0 3 293.327 0.701 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CC[C@@H](C)O ZINC000135643210 350405459 /nfs/dbraw/zinc/40/54/59/350405459.db2.gz KVZUSHDBCIYRBF-SECBINFHSA-N 0 3 256.306 0.802 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2C[C@]2(O)C1 ZINC000603087785 362956395 /nfs/dbraw/zinc/95/63/95/362956395.db2.gz OVGYFYLGCNQREP-WDMOLILDSA-N 0 3 294.307 0.401 20 5 CCBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@]1(F)CCNC1 ZINC000151093822 350491903 /nfs/dbraw/zinc/49/19/03/350491903.db2.gz XSUUPXXXSGUODW-GFCCVEGCSA-N 0 3 267.260 0.913 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]([C@@H](C)O)C1 ZINC000162799563 350753946 /nfs/dbraw/zinc/75/39/46/350753946.db2.gz DEFQYQBDYOUCAE-MWLCHTKSSA-N 0 3 268.317 0.802 20 5 CCBDHN CCN1CCCC[C@@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271414405 191123834 /nfs/dbraw/zinc/12/38/34/191123834.db2.gz OVMKLGDPTZFGNZ-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN C[C@H]1C[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000172623055 351000765 /nfs/dbraw/zinc/00/07/65/351000765.db2.gz BYDRANTVHLUAPE-WDEREUQCSA-N 0 3 295.343 0.732 20 5 CCBDHN C[C@@H]1CC[C@H](C(N)=O)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000174846079 351106651 /nfs/dbraw/zinc/10/66/51/351106651.db2.gz UQPFRWAREFQYRG-ZJUUUORDSA-N 0 3 281.316 0.377 20 5 CCBDHN COC(=O)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176226775 351162475 /nfs/dbraw/zinc/16/24/75/351162475.db2.gz BFLVPMVMEZCFDM-SNVBAGLBSA-N 0 3 282.300 0.676 20 5 CCBDHN C[C@@H](O)CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181910831 351342179 /nfs/dbraw/zinc/34/21/79/351342179.db2.gz JJRBZNQWCADAEA-MNOVXSKESA-N 0 3 284.312 0.647 20 5 CCBDHN C[C@@]1(O)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181949872 351342188 /nfs/dbraw/zinc/34/21/88/351342188.db2.gz BNMIUOLIIBADPF-SMDDNHRTSA-N 0 3 296.323 0.791 20 5 CCBDHN CC(C)(CC(N)=O)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000186260737 351488878 /nfs/dbraw/zinc/48/88/78/351488878.db2.gz CBXYEROPKQMYSN-UHFFFAOYSA-N 0 3 282.300 0.000 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(O)cc2)c1 ZINC000228412287 352074354 /nfs/dbraw/zinc/07/43/54/352074354.db2.gz SEFWHBHXTOPWKK-CYBMUJFWSA-N 0 3 292.295 0.648 20 5 CCBDHN CN(C)CCOCCNc1ncc([N+](=O)[O-])cn1 ZINC000231207755 352126402 /nfs/dbraw/zinc/12/64/02/352126402.db2.gz LQJMLCVVQWLMPW-UHFFFAOYSA-N 0 3 255.278 0.375 20 5 CCBDHN Cc1c(CNC(=O)COC2(C)CNC2)cccc1[N+](=O)[O-] ZINC000231856556 352137555 /nfs/dbraw/zinc/13/75/55/352137555.db2.gz LWTBLKFVDJINMM-UHFFFAOYSA-N 0 3 293.323 0.898 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@](C)(O)C1 ZINC000235826144 352188775 /nfs/dbraw/zinc/18/87/75/352188775.db2.gz PTAPYEGGOGQUII-NSHDSACASA-N 0 3 254.290 0.556 20 5 CCBDHN CCN(C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264929047 352608195 /nfs/dbraw/zinc/60/81/95/352608195.db2.gz RWUJJNHHJJSOPH-UHFFFAOYSA-N 0 3 269.305 0.249 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000270618325 352957215 /nfs/dbraw/zinc/95/72/15/352957215.db2.gz QWNMVEMIOPLFCX-UHFFFAOYSA-N 0 3 253.262 0.012 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000270618325 352957219 /nfs/dbraw/zinc/95/72/19/352957219.db2.gz QWNMVEMIOPLFCX-UHFFFAOYSA-N 0 3 253.262 0.012 20 5 CCBDHN C[C@@H](O)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272591226 353077500 /nfs/dbraw/zinc/07/75/00/353077500.db2.gz PMNCRLNVTGLXLS-ZJUUUORDSA-N 0 3 254.290 0.494 20 5 CCBDHN COCCNCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000152291004 188008122 /nfs/dbraw/zinc/00/81/22/188008122.db2.gz XJWJLGBQIGYVAV-UHFFFAOYSA-N 0 3 273.314 0.622 20 5 CCBDHN C[C@H](CCN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000274441134 353129706 /nfs/dbraw/zinc/12/97/06/353129706.db2.gz GUPBREGBALSDBA-LLVKDONJSA-N 0 3 294.359 0.823 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000152830274 188046040 /nfs/dbraw/zinc/04/60/40/188046040.db2.gz YFVKWYDOQPJVDO-ZDUSSCGKSA-N 0 3 299.302 0.776 20 5 CCBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CCC(N)=O ZINC000286502322 353591452 /nfs/dbraw/zinc/59/14/52/353591452.db2.gz PTZJSGHNJVAHHJ-UHFFFAOYSA-N 0 3 267.285 0.781 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](CO)CC2)c1 ZINC000293282729 353801535 /nfs/dbraw/zinc/80/15/35/353801535.db2.gz VNDZYXLHZPWXKJ-LLVKDONJSA-N 0 3 268.317 0.886 20 5 CCBDHN CN(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1O ZINC000556974141 291018366 /nfs/dbraw/zinc/01/83/66/291018366.db2.gz UYQSXMWTSQJSBG-YUMQZZPRSA-N 0 3 285.325 0.403 20 5 CCBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1CO ZINC000305730447 354156118 /nfs/dbraw/zinc/15/61/18/354156118.db2.gz NGUWADKASNRSAO-AAEUAGOBSA-N 0 3 295.339 0.849 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCN2CCCC2)n1 ZINC000331218051 354495202 /nfs/dbraw/zinc/49/52/02/354495202.db2.gz WZBCKINTPZZXQR-UHFFFAOYSA-N 0 3 295.343 0.979 20 5 CCBDHN CN1CCC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000280059592 283060652 /nfs/dbraw/zinc/06/06/52/283060652.db2.gz ZBSRLGLAQMKKJG-SNVBAGLBSA-N 0 3 284.293 0.599 20 5 CCBDHN CCN1CC[C@@H]2OCCN(c3ncc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000338731916 355407641 /nfs/dbraw/zinc/40/76/41/355407641.db2.gz CCXJDTWKZIFXKF-RYUDHWBXSA-N 0 3 293.327 0.684 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@]1(O)CCN(C)C1 ZINC000361016468 138019238 /nfs/dbraw/zinc/01/92/38/138019238.db2.gz ZDNWPHPJMGXDKA-LBPRGKRZSA-N 0 3 283.332 0.598 20 5 CCBDHN CC(C)CN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356150946 356712440 /nfs/dbraw/zinc/71/24/40/356712440.db2.gz IXMXSPHQPZCGPL-UHFFFAOYSA-N 0 3 297.359 0.988 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC([NH3+])C2)c1C ZINC000359288132 356794327 /nfs/dbraw/zinc/79/43/27/356794327.db2.gz ORLGAZWBINHXCM-UHFFFAOYSA-N 0 3 299.352 0.980 20 5 CCBDHN C[C@H]1C[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CCN1C ZINC000408055281 357892543 /nfs/dbraw/zinc/89/25/43/357892543.db2.gz SHZYFPMKPCTJCE-UWVGGRQHSA-N 0 3 295.343 0.883 20 5 CCBDHN CCN1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000610654552 363591534 /nfs/dbraw/zinc/59/15/34/363591534.db2.gz JPCNNYUTAKRWIR-UHFFFAOYSA-N 0 3 267.333 0.737 20 5 CCBDHN C[C@@H](NC[C@]1(O)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294746399 199163948 /nfs/dbraw/zinc/16/39/48/199163948.db2.gz LSGXHNDLWWLRKI-NOZJJQNGSA-N 0 3 281.312 0.979 20 5 CCBDHN COC(=O)CC1(NCCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000567995289 358623519 /nfs/dbraw/zinc/62/35/19/358623519.db2.gz HBKGCSYIKOXWMD-UHFFFAOYSA-N 0 3 295.295 0.442 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 ZINC000590046989 359418884 /nfs/dbraw/zinc/41/88/84/359418884.db2.gz RNJXYXZREOGFTE-SCZZXKLOSA-N 0 3 264.285 0.699 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)[C@@H]2C1 ZINC000590444235 359466568 /nfs/dbraw/zinc/46/65/68/359466568.db2.gz MWCYYKOHNAGPRG-PSASIEDQSA-N 0 3 279.300 0.104 20 5 CCBDHN CCc1ccc(S(=O)(=O)N(C)C2CNC2)cc1[N+](=O)[O-] ZINC000592389400 359831688 /nfs/dbraw/zinc/83/16/88/359831688.db2.gz XRMQNTUOSJHDAF-UHFFFAOYSA-N 0 3 299.352 0.750 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@@](C)(F)C1 ZINC000592491808 359855657 /nfs/dbraw/zinc/85/56/57/359855657.db2.gz JLRCLKWKXPCSDB-LLVKDONJSA-N 0 3 271.296 0.462 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC3CC3)C2)n1 ZINC000611219835 363685955 /nfs/dbraw/zinc/68/59/55/363685955.db2.gz VBCDXLAUKNPDOJ-JTQLQIEISA-N 0 3 293.327 0.542 20 5 CCBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@H]2C[C@H]2N1 ZINC000592558343 359889225 /nfs/dbraw/zinc/88/92/25/359889225.db2.gz WWNMQQZRJJXOOE-PFZYVWIYSA-N 0 3 287.279 0.582 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000177045109 189024309 /nfs/dbraw/zinc/02/43/09/189024309.db2.gz OFCADTTVIFLLFL-ZJUUUORDSA-N 0 3 293.327 0.533 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])[C@@H]2C1 ZINC000594363747 360282435 /nfs/dbraw/zinc/28/24/35/360282435.db2.gz JVSLVNZBGHIKTA-PSASIEDQSA-N 0 3 291.311 0.178 20 5 CCBDHN N[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595261007 360464503 /nfs/dbraw/zinc/46/45/03/360464503.db2.gz RFLNBDAZUXMRGV-VXGBXAGGSA-N 0 3 297.286 0.871 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1[N+](=O)[O-] ZINC000595946885 360725573 /nfs/dbraw/zinc/72/55/73/360725573.db2.gz JUEXXYGKALEATF-RNFRBKRXSA-N 0 3 271.252 0.138 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1[N+](=O)[O-] ZINC000595946885 360725575 /nfs/dbraw/zinc/72/55/75/360725575.db2.gz JUEXXYGKALEATF-RNFRBKRXSA-N 0 3 271.252 0.138 20 5 CCBDHN Cc1cccc(C(=O)N2CCOC3(CNC3)C2)c1[N+](=O)[O-] ZINC000596097802 360794454 /nfs/dbraw/zinc/79/44/54/360794454.db2.gz LUWAOFIPTMTUJL-UHFFFAOYSA-N 0 3 291.307 0.718 20 5 CCBDHN COCCN1CC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596119327 360801225 /nfs/dbraw/zinc/80/12/25/360801225.db2.gz CFALMFDSUIEQDY-VIFPVBQESA-N 0 3 282.300 0.828 20 5 CCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CNC1 ZINC000563608790 291241515 /nfs/dbraw/zinc/24/15/15/291241515.db2.gz XBONLEJJOQDERA-UHFFFAOYSA-N 0 3 292.295 0.184 20 5 CCBDHN Cc1n[nH]c(C(=O)N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000598162928 361346494 /nfs/dbraw/zinc/34/64/94/361346494.db2.gz LEAGSIFSOYLHRZ-UHFFFAOYSA-N 0 3 267.289 0.260 20 5 CCBDHN Cc1[nH]nc(C(=O)N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000598162928 361346498 /nfs/dbraw/zinc/34/64/98/361346498.db2.gz LEAGSIFSOYLHRZ-UHFFFAOYSA-N 0 3 267.289 0.260 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1CO ZINC000598648541 361472223 /nfs/dbraw/zinc/47/22/23/361472223.db2.gz UMWKVUKEQBAVBP-VXGBXAGGSA-N 0 3 295.339 0.707 20 5 CCBDHN O=c1[nH]ccc(NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599200162 361609189 /nfs/dbraw/zinc/60/91/89/361609189.db2.gz YSIQKWRISAFILZ-QMMMGPOBSA-N 0 3 268.273 0.174 20 5 CCBDHN O=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000275345400 193006060 /nfs/dbraw/zinc/00/60/60/193006060.db2.gz YRYDQENGKHYADI-CWSCBRNRSA-N 0 3 294.311 0.348 20 5 CCBDHN CCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000330798501 203249536 /nfs/dbraw/zinc/24/95/36/203249536.db2.gz CLXRPWVJFRSCQV-UHFFFAOYSA-N 0 3 295.343 0.700 20 5 CCBDHN CC(C)(N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567217952 291466536 /nfs/dbraw/zinc/46/65/36/291466536.db2.gz WCHXXLOWTMDAFQ-UHFFFAOYSA-N 0 3 267.285 0.827 20 5 CCBDHN CO[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1C ZINC000251583117 285147609 /nfs/dbraw/zinc/14/76/09/285147609.db2.gz FGLMCVVOSQLVBD-WCFLWFBJSA-N 0 3 298.343 0.509 20 5 CCBDHN CC1(CO)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000186972445 388862306 /nfs/dbraw/zinc/86/23/06/388862306.db2.gz IPSWXJHDPUBBKC-GFCCVEGCSA-N 0 3 298.343 0.247 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](O)C2)c1 ZINC000046444282 388877038 /nfs/dbraw/zinc/87/70/38/388877038.db2.gz MWYJBYKXIOHLRM-STQMWFEESA-N 0 3 296.323 0.791 20 5 CCBDHN C[C@@H](O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000192814567 389055436 /nfs/dbraw/zinc/05/54/36/389055436.db2.gz CDBUABOGVNNRCS-VXGBXAGGSA-N 0 3 297.359 0.178 20 5 CCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357057286 389131293 /nfs/dbraw/zinc/13/12/93/389131293.db2.gz PMFAKFDMYHOXLO-ZJUUUORDSA-N 0 3 295.343 0.741 20 5 CCBDHN CN(Cc1c([N+](=O)[O-])ncn1C)C[C@H]1CCCN1C ZINC000420995463 389344333 /nfs/dbraw/zinc/34/43/33/389344333.db2.gz DRIUASQYBOFSGI-SNVBAGLBSA-N 0 3 267.333 0.854 20 5 CCBDHN CCN1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000264704874 389347780 /nfs/dbraw/zinc/34/77/80/389347780.db2.gz CYLWZBSZEYHOCE-UHFFFAOYSA-N 0 3 281.316 0.346 20 5 CCBDHN C[C@@H](CO)[C@@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274006147 389476747 /nfs/dbraw/zinc/47/67/47/389476747.db2.gz LIIUPAHDHRIGJB-DTWKUNHWSA-N 0 3 281.312 0.800 20 5 CCBDHN CN1CCNC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000414964453 389647723 /nfs/dbraw/zinc/64/77/23/389647723.db2.gz MFJXEBOQTDHOKA-SNVBAGLBSA-N 0 3 270.358 0.650 20 5 CCBDHN CN1CCNC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000414965818 389649369 /nfs/dbraw/zinc/64/93/69/389649369.db2.gz NUBJGOWCLGHVNB-LBPRGKRZSA-N 0 3 264.329 0.588 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000379465050 389761974 /nfs/dbraw/zinc/76/19/74/389761974.db2.gz HLXAPJWIOXCVAI-DTWKUNHWSA-N 0 3 266.301 0.756 20 5 CCBDHN COc1cc(C(=O)NCCN(C)C)cc([N+](=O)[O-])c1OC ZINC000428953722 389728969 /nfs/dbraw/zinc/72/89/69/389728969.db2.gz GWQJWJAOHVPSBW-UHFFFAOYSA-N 0 3 297.311 0.903 20 5 CCBDHN CCOC[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488762250 390096020 /nfs/dbraw/zinc/09/60/20/390096020.db2.gz HGNWOOZHMZZNQH-GFCCVEGCSA-N 0 3 298.343 0.826 20 5 CCBDHN C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCCC1 ZINC000539017332 390201026 /nfs/dbraw/zinc/20/10/26/390201026.db2.gz FOXRVGJZQXFWPP-VIFPVBQESA-N 0 3 281.316 0.542 20 5 CCBDHN Cc1sc(C(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000583262057 390277395 /nfs/dbraw/zinc/27/73/95/390277395.db2.gz RGTQWBGELKXOGZ-SECBINFHSA-N 0 3 298.368 0.680 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)CC1(CO)CC1 ZINC000190017501 130051333 /nfs/dbraw/zinc/05/13/33/130051333.db2.gz VPSGKWVUAQUGAG-UHFFFAOYSA-N 0 3 254.290 0.496 20 5 CCBDHN NC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000088130855 135052441 /nfs/dbraw/zinc/05/24/41/135052441.db2.gz JNTXSOVUCZAGIH-UHFFFAOYSA-N 0 3 290.323 0.735 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420433721 292181774 /nfs/dbraw/zinc/18/17/74/292181774.db2.gz DDZNREMFKLBOCR-BDAKNGLRSA-N 0 3 287.341 0.917 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548962748 286081954 /nfs/dbraw/zinc/08/19/54/286081954.db2.gz WYQWBONHSCQCPK-XVKPBYJWSA-N 0 3 279.300 0.530 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN(C)CCOC)n1 ZINC000191797244 227179665 /nfs/dbraw/zinc/17/96/65/227179665.db2.gz QJAPCPABCTYXLI-UHFFFAOYSA-N 0 3 299.331 0.119 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000237636437 288327115 /nfs/dbraw/zinc/32/71/15/288327115.db2.gz QIMXPRQDMDCMET-JGVFFNPUSA-N 0 3 267.289 0.151 20 5 CCBDHN Cc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000391151545 328977539 /nfs/dbraw/zinc/97/75/39/328977539.db2.gz WWAQCBFNMPOSIP-CYBMUJFWSA-N 0 3 291.311 0.645 20 5 CCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000554685236 334446419 /nfs/dbraw/zinc/44/64/19/334446419.db2.gz URCVDPDCJPZPGI-ZDUSSCGKSA-N 0 3 294.311 0.109 20 5 CCBDHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000381706190 336071278 /nfs/dbraw/zinc/07/12/78/336071278.db2.gz HUKDQRCSNZFAOS-HTQZYQBOSA-N 0 3 273.314 0.609 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000581424796 336074935 /nfs/dbraw/zinc/07/49/35/336074935.db2.gz IXAJZGPXUYVZJU-IJLUTSLNSA-N 0 3 292.295 0.891 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1CCO ZINC000426202960 534319890 /nfs/dbraw/zinc/31/98/90/534319890.db2.gz XHMMRUPKUYOJFO-NSHDSACASA-N 0 3 281.312 0.603 20 5 CCBDHN Cn1c(C(=O)N[C@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000449662445 534680759 /nfs/dbraw/zinc/68/07/59/534680759.db2.gz LQTUPKXCUZGOBX-QMMMGPOBSA-N 0 3 288.254 0.660 20 5 CCBDHN CN(C)C[C@@H](O)CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000782139396 581289950 /nfs/dbraw/zinc/28/99/50/581289950.db2.gz AQADMSJFHYLKPE-JTQLQIEISA-N 0 3 291.311 0.872 20 5 CCBDHN C[C@H]1CCCN1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000783920015 581367476 /nfs/dbraw/zinc/36/74/76/581367476.db2.gz XMUGOOHBBQKTPT-VIFPVBQESA-N 0 3 281.316 0.542 20 5 CCBDHN CNC(=O)[C@H](C)CN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592023 582083086 /nfs/dbraw/zinc/08/30/86/582083086.db2.gz OKVREUDXIZMVDY-ZWNOBZJWSA-N 0 3 295.339 0.942 20 5 CCBDHN COc1cc([N+](=O)[O-])cn(CCN2CCCC2)c1=O ZINC000882270244 617217585 /nfs/dbraw/zinc/21/75/85/617217585.db2.gz HWUNSHUSZHTIGW-UHFFFAOYSA-N 0 3 267.285 0.861 20 5 CCBDHN CCC[C@H](O)[C@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843098819 614430150 /nfs/dbraw/zinc/43/01/50/614430150.db2.gz ALYRPCUXJIVCFV-IHRRRGAJSA-N 0 3 298.339 0.740 20 5 CCBDHN CC(C)(CCc1noc(C[C@@H]2CNCCO2)n1)[N+](=O)[O-] ZINC000843232773 614086758 /nfs/dbraw/zinc/08/67/58/614086758.db2.gz CGOAIODGMGWKCI-SECBINFHSA-N 0 3 284.316 0.588 20 5 CCBDHN CC[S@@](=O)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000132780762 616005911 /nfs/dbraw/zinc/00/59/11/616005911.db2.gz ZSLQOIVPCNZSQB-BLVKFPJESA-N 0 3 286.353 0.986 20 5 CCBDHN CN(CCO)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000925015353 616102491 /nfs/dbraw/zinc/10/24/91/616102491.db2.gz JUTFBKVSQIUXGG-DAXSKMNVSA-N 0 3 293.323 0.648 20 5 CCBDHN CN(CCO)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000884824094 616108845 /nfs/dbraw/zinc/10/88/45/616108845.db2.gz QWKUICNRDNMGMF-UHFFFAOYSA-N 0 3 279.300 0.579 20 5 CCBDHN CN(CC[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000930076282 616123319 /nfs/dbraw/zinc/12/33/19/616123319.db2.gz ALTZEDVIHSWYMI-UHFFFAOYSA-N 0 3 259.350 0.553 20 5 CCBDHN CN1C[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000818994322 616297135 /nfs/dbraw/zinc/29/71/35/616297135.db2.gz FFACKJGSSLBOIY-CMPLNLGQSA-N 0 3 279.296 0.449 20 5 CCBDHN COCC(COC)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819350759 616734720 /nfs/dbraw/zinc/73/47/20/616734720.db2.gz UJZKEQWZBHZCCR-ZDUSSCGKSA-N 0 3 284.312 0.879 20 5 CCBDHN CNC(=O)c1cncc(/C=C\C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813109397 616926295 /nfs/dbraw/zinc/92/62/95/616926295.db2.gz JSMHLKWYNFSEAB-ZBJFTSOASA-N 0 3 293.279 0.663 20 5 CCBDHN COC(=O)c1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108846 616985899 /nfs/dbraw/zinc/98/58/99/616985899.db2.gz MDQJHTUOZGALEE-ZETCQYMHSA-N 0 3 268.225 0.690 20 5 CCBDHN C[C@@H](O)CN(CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000810040529 640922290 /nfs/dbraw/zinc/92/22/90/640922290.db2.gz UFWNTRXWXRKVRO-MFKMUULPSA-N 0 3 284.312 0.303 20 5 CCBDHN CC(COC(=O)Cn1c(=O)cnc2ccccc21)[N+](=O)[O-] ZINC000813102876 641022323 /nfs/dbraw/zinc/02/23/23/641022323.db2.gz KTSZSNZMTMWSEQ-VIFPVBQESA-N 0 3 291.263 0.605 20 5 CCBDHN CC(COC(=O)c1ccc(N2CCOCC2)nc1)[N+](=O)[O-] ZINC000813113733 641024772 /nfs/dbraw/zinc/02/47/72/641024772.db2.gz IJEXDYVNEYWFOH-JTQLQIEISA-N 0 3 295.295 0.740 20 5 CCBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccn(C)n1 ZINC000816091196 641140195 /nfs/dbraw/zinc/14/01/95/641140195.db2.gz NUHYNXQPGWBRHX-SSDOTTSWSA-N 0 3 294.271 0.131 20 5 CCBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)[N+](=O)[O-] ZINC000816091731 641140227 /nfs/dbraw/zinc/14/02/27/641140227.db2.gz GTVQOYLFGDLVTD-BQBZGAKWSA-N 0 3 298.217 0.748 20 5 CCBDHN CC(COC(=O)Cc1cn2c(n1)CCCC2)[N+](=O)[O-] ZINC000845575288 643330800 /nfs/dbraw/zinc/33/08/00/643330800.db2.gz GSHZIDKYGACXDY-SECBINFHSA-N 0 3 267.285 0.970 20 5 CCBDHN CC(COC(=O)c1cnc2nccn2c1)[N+](=O)[O-] ZINC000870378274 645987648 /nfs/dbraw/zinc/98/76/48/645987648.db2.gz VEUJNNXWWMZUGS-SSDOTTSWSA-N 0 3 250.214 0.551 20 5 CCBDHN CC(COC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F)[N+](=O)[O-] ZINC000873533307 646386469 /nfs/dbraw/zinc/38/64/69/646386469.db2.gz WNRVEENNLSOSSV-FSDSQADBSA-N 0 3 298.217 0.509 20 5 CCBDHN Cc1nc(NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000134274781 647716413 /nfs/dbraw/zinc/71/64/13/647716413.db2.gz QHKMUAGKGPYRRP-SECBINFHSA-N 0 3 252.274 0.699 20 5 CCBDHN Cc1c(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000886249624 647936154 /nfs/dbraw/zinc/93/61/54/647936154.db2.gz OZPSMVQJNHALHT-UOJUARBOSA-N 0 3 266.297 0.877 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1C ZINC000928454686 648640045 /nfs/dbraw/zinc/64/00/45/648640045.db2.gz RKAFQCKHSCLRSR-BDAKNGLRSA-N 0 3 266.301 0.756 20 5 CCBDHN C[C@@H](O)[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177501 649055858 /nfs/dbraw/zinc/05/58/58/649055858.db2.gz ADRCDAZXSSDTLQ-LNLATYFQSA-N 0 3 254.286 0.987 20 5 CCBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1c([N+](=O)[O-])cnn1C ZINC001122181321 799163184 /nfs/dbraw/zinc/16/31/84/799163184.db2.gz PMYQIUBFGZOYCZ-XHNCKOQMSA-N 0 3 281.316 0.539 20 5 CCBDHN CC(C)=CC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154344915 800764166 /nfs/dbraw/zinc/76/41/66/800764166.db2.gz GCAFZCTVVOQUBD-UHFFFAOYSA-N 0 3 295.343 0.890 20 5 CCBDHN Cc1cnc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC001157767171 801475069 /nfs/dbraw/zinc/47/50/69/801475069.db2.gz IPEKEZNDDXFQBZ-GHMZBOCLSA-N 0 3 293.327 0.046 20 5 CCBDHN COc1cc(N[C@@H](C)[C@@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001159495358 801820865 /nfs/dbraw/zinc/82/08/65/801820865.db2.gz DYRJEODYHSUXQN-KWQFWETISA-N 0 3 282.300 0.787 20 5 CCBDHN CC[C@@]([NH3+])(CO)[N-]c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159743415 801857342 /nfs/dbraw/zinc/85/73/42/801857342.db2.gz FMDVMUQKYVGSKY-VIFPVBQESA-N 0 3 271.233 0.367 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001160451124 801943039 /nfs/dbraw/zinc/94/30/39/801943039.db2.gz VXKNKGVUCBUPNK-JTQLQIEISA-N 0 3 293.327 0.786 20 5 CCBDHN O=[N+]([O-])c1ncccc1N1CC(N[C@@H]2CCOC2)C1 ZINC001164234484 802693475 /nfs/dbraw/zinc/69/34/75/802693475.db2.gz PLQBEWAAQKTLBE-SECBINFHSA-N 0 3 264.285 0.557 20 5 CCBDHN COc1nc(-n2cnc3c2CNCC3)ccc1[N+](=O)[O-] ZINC001164310473 802718024 /nfs/dbraw/zinc/71/80/24/802718024.db2.gz UKAYDKPUBCKXDE-UHFFFAOYSA-N 0 3 275.268 0.830 20 5 CCBDHN COc1nc(-n2cnc3c2CNCC3)ncc1[N+](=O)[O-] ZINC001164310089 802718278 /nfs/dbraw/zinc/71/82/78/802718278.db2.gz GVCJIKBZXZSEQJ-UHFFFAOYSA-N 0 3 276.256 0.225 20 5 CCBDHN Cc1ncc([N+](=O)[O-])c(N2CC(C)(N(C)C)C2)n1 ZINC001165117210 802784764 /nfs/dbraw/zinc/78/47/64/802784764.db2.gz BVVWACSESBVOST-UHFFFAOYSA-N 0 3 251.290 0.834 20 5 CCBDHN O=[N+]([O-])c1cnc(-n2ncc3c2CCNC3)c([N+](=O)[O-])c1 ZINC001165218382 802797526 /nfs/dbraw/zinc/79/75/26/802797526.db2.gz CXJTYLBMYIMWAE-UHFFFAOYSA-N 0 3 290.239 0.729 20 5 CCBDHN Cc1cnc(N(C2CNC2)S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001166968231 803000094 /nfs/dbraw/zinc/00/00/94/803000094.db2.gz RKENMNMNSNQGHG-UHFFFAOYSA-N 0 3 286.313 0.036 20 5 CCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H](CO)[C@H](O)C1 ZINC001254551830 808260161 /nfs/dbraw/zinc/26/01/61/808260161.db2.gz GHKHQGRWUYVJBI-MPKXVKKWSA-N 0 3 280.324 0.811 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1C[C@H](O)C[C@@H]1CO)C2 ZINC001254577022 808262755 /nfs/dbraw/zinc/26/27/55/808262755.db2.gz BKAZIYQUZOBOKD-BFHYXJOUSA-N 0 3 278.308 0.490 20 5 CCBDHN O=C(N[C@H]1COC2(CNC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001263156462 809462999 /nfs/dbraw/zinc/46/29/99/809462999.db2.gz XNUXBXOQMKFALM-SNVBAGLBSA-N 0 3 277.280 0.456 20 5 CCBDHN Cc1cnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001126936877 815326693 /nfs/dbraw/zinc/32/66/93/815326693.db2.gz VQJQQOLWGSMKJF-RKDXNWHRSA-N 0 3 284.341 0.323 20 5 CCBDHN CC(COC(=O)Cn1cc(C2CC2)cn1)[N+](=O)[O-] ZINC000851036588 811501206 /nfs/dbraw/zinc/50/12/06/811501206.db2.gz KPZHMENKGSDOND-QMMMGPOBSA-N 0 3 253.258 0.969 20 5 CCBDHN O=[N+]([O-])CCN[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000905102140 815510260 /nfs/dbraw/zinc/51/02/60/815510260.db2.gz AGDAHUAITLYELB-OAHLLOKOSA-N 0 3 293.367 0.796 20 5 CCBDHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C(N)=O ZINC001268831487 813107642 /nfs/dbraw/zinc/10/76/42/813107642.db2.gz PTANXBHFEHRBST-UHFFFAOYSA-N 0 3 294.311 0.018 20 5 CCBDHN O=C(NC1CN(CCC2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030293861 815962532 /nfs/dbraw/zinc/96/25/32/815962532.db2.gz SSSHBRNKDOFGIY-CHWSQXEVSA-N 0 3 297.355 0.269 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)CCN(C)CCO ZINC000691372293 819229387 /nfs/dbraw/zinc/22/93/87/819229387.db2.gz POOITRBECZOTSO-UHFFFAOYSA-N 0 3 285.348 0.480 20 5 CCBDHN NCc1cnnn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001169310643 836209794 /nfs/dbraw/zinc/20/97/94/836209794.db2.gz KIFGWAGJFUFLJP-UHFFFAOYSA-N 0 3 277.269 0.639 20 5 CCBDHN C[C@@H](Nc1ncnc2[nH]cc([N+](=O)[O-])c21)[C@@H]1CNCCO1 ZINC001170566300 838126413 /nfs/dbraw/zinc/12/64/13/838126413.db2.gz XQISBYYDQPWRSL-APPZFPTMSA-N 0 3 292.299 0.655 20 5 CCBDHN C[C@@H](Nc1c[n+]([O-])ccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170568015 838138532 /nfs/dbraw/zinc/13/85/32/838138532.db2.gz MJJSYBXXSFFDMK-LDYMZIIASA-N 0 3 268.273 0.017 20 5 CCBDHN NCc1cnnn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001158420138 838150517 /nfs/dbraw/zinc/15/05/17/838150517.db2.gz DJBBTGMSPOTZBE-UHFFFAOYSA-N 0 3 254.637 0.683 20 5 CCBDHN CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001137121112 848131328 /nfs/dbraw/zinc/13/13/28/848131328.db2.gz URJLWXSXDMELCJ-UHFFFAOYSA-N 0 3 266.301 0.811 20 5 CCBDHN COCCCCCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001483863356 896087510 /nfs/dbraw/zinc/08/75/10/896087510.db2.gz VJWRXLPQOGQZOB-CHWSQXEVSA-N 0 3 299.371 0.611 20 5 CCBDHN Cc1nn(C)c(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC001337778963 921292681 /nfs/dbraw/zinc/29/26/81/921292681.db2.gz ITHQKHIQRVBGIY-UHFFFAOYSA-N 0 3 295.343 0.803 20 5 CCBDHN CC[C@H](C)N1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001338060890 921355291 /nfs/dbraw/zinc/35/52/91/921355291.db2.gz VESDQVJIXPDRHI-JTQLQIEISA-N 0 3 282.348 0.512 20 5 CCBDHN CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC001303019474 908056986 /nfs/dbraw/zinc/05/69/86/908056986.db2.gz UBPYBMLHWFSVHI-SSDOTTSWSA-N 0 3 253.262 0.142 20 5 CCBDHN CC[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC001303019474 908057000 /nfs/dbraw/zinc/05/70/00/908057000.db2.gz UBPYBMLHWFSVHI-SSDOTTSWSA-N 0 3 253.262 0.142 20 5 CCBDHN CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC001303019475 908058145 /nfs/dbraw/zinc/05/81/45/908058145.db2.gz UBPYBMLHWFSVHI-ZETCQYMHSA-N 0 3 253.262 0.142 20 5 CCBDHN CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC001303019475 908058163 /nfs/dbraw/zinc/05/81/63/908058163.db2.gz UBPYBMLHWFSVHI-ZETCQYMHSA-N 0 3 253.262 0.142 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CN(C)CC1(C)C ZINC001303988116 908129697 /nfs/dbraw/zinc/12/96/97/908129697.db2.gz GKXPIBRIRCLQSY-SNVBAGLBSA-N 0 3 295.343 0.556 20 5 CCBDHN CN(C)C(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001308108745 908381166 /nfs/dbraw/zinc/38/11/66/908381166.db2.gz LHBMSGLZAQXJTQ-LLVKDONJSA-N 0 3 295.343 0.592 20 5 CCBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC/C=C\CO)c1 ZINC001335379123 920157959 /nfs/dbraw/zinc/15/79/59/920157959.db2.gz ABFLUVFNCPGUEI-BIOMNHJASA-N 0 3 252.270 0.766 20 5 CCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CNCCN1C ZINC001339791093 921828709 /nfs/dbraw/zinc/82/87/09/921828709.db2.gz UJGSFUKHHOSVDH-CYBMUJFWSA-N 0 3 292.339 0.457 20 5 CCBDHN CN1CCNC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001339996775 921907955 /nfs/dbraw/zinc/90/79/55/921907955.db2.gz UVLZFCYAOBWAIV-CYBMUJFWSA-N 0 3 292.339 0.157 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)CN[C@@H](C)[C@@H]1C ZINC001342629457 923028719 /nfs/dbraw/zinc/02/87/19/923028719.db2.gz LYQIOSSWNRWTMT-UTLUCORTSA-N 0 3 295.343 0.697 20 5 CCBDHN Cc1n[n-]c(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000337617067 214183275 /nfs/dbraw/zinc/18/32/75/214183275.db2.gz MCYLLGOSCQKQQN-UHFFFAOYSA-N 0 3 253.262 0.062 20 5 CCBDHN COC(=O)[C@@]1(C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602785708 362799831 /nfs/dbraw/zinc/79/98/31/362799831.db2.gz KDFYEAXKLXAWDW-ZDUSSCGKSA-N 0 3 296.327 0.985 20 5 CCBDHN O=C(CN1CCNCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000261907671 137025032 /nfs/dbraw/zinc/02/50/32/137025032.db2.gz XOKXRIKUNMPZFX-UHFFFAOYSA-N 0 3 290.323 0.389 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNCC1 ZINC000037631728 348197237 /nfs/dbraw/zinc/19/72/37/348197237.db2.gz KTQNXTHHEFIMKH-UHFFFAOYSA-N 0 3 278.312 0.747 20 5 CCBDHN C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000346217890 137273476 /nfs/dbraw/zinc/27/34/76/137273476.db2.gz IXTSOJRQPHQCRI-MRVPVSSYSA-N 0 3 254.290 0.613 20 5 CCBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N(C)C ZINC000347823448 137359316 /nfs/dbraw/zinc/35/93/16/137359316.db2.gz NTZPUDRICNNAKY-MRVPVSSYSA-N 0 3 254.290 0.613 20 5 CCBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cnn(C)c1 ZINC000273402118 192139200 /nfs/dbraw/zinc/13/92/00/192139200.db2.gz RBKWGWBKZDVBGR-SNVBAGLBSA-N 0 3 291.311 0.841 20 5 CCBDHN CN(C)CCn1cc(Nc2c([N+](=O)[O-])ncn2C)cn1 ZINC000057854510 348617654 /nfs/dbraw/zinc/61/76/54/348617654.db2.gz XKFLYSVNDULTCL-UHFFFAOYSA-N 0 3 279.304 0.830 20 5 CCBDHN CNCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000070303951 348883768 /nfs/dbraw/zinc/88/37/68/348883768.db2.gz QLTGWIXEENLLRZ-UHFFFAOYSA-N 0 3 287.341 0.743 20 5 CCBDHN CNCCN(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000070303872 348883836 /nfs/dbraw/zinc/88/38/36/348883836.db2.gz GKMDJBSSGUGWKO-UHFFFAOYSA-N 0 3 287.341 0.576 20 5 CCBDHN CNCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000070303827 348883900 /nfs/dbraw/zinc/88/39/00/348883900.db2.gz SWHRUVWGVNUJGA-UHFFFAOYSA-N 0 3 287.341 0.743 20 5 CCBDHN CC(C)N(CCN(C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000151972675 350514491 /nfs/dbraw/zinc/51/44/91/350514491.db2.gz NQZVMPAVBJIVGV-UHFFFAOYSA-N 0 3 283.332 0.590 20 5 CCBDHN CC(C)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000153646642 350561055 /nfs/dbraw/zinc/56/10/55/350561055.db2.gz KOASAVKNVDOPLM-UHFFFAOYSA-N 0 3 294.355 0.783 20 5 CCBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1C ZINC000164250271 350777932 /nfs/dbraw/zinc/77/79/32/350777932.db2.gz DJJZGEWBZBFFBW-BDAKNGLRSA-N 0 3 281.316 0.873 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2CO)n1 ZINC000176207405 351161425 /nfs/dbraw/zinc/16/14/25/351161425.db2.gz IPQKLTDNPKUKEP-JTQLQIEISA-N 0 3 254.290 0.638 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCN(CC3CC3)CC2)n1 ZINC000176212815 351161520 /nfs/dbraw/zinc/16/15/20/351161520.db2.gz UYJLLKNQWFZWBF-UHFFFAOYSA-N 0 3 279.344 0.819 20 5 CCBDHN COC(=O)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176226789 351162014 /nfs/dbraw/zinc/16/20/14/351162014.db2.gz BFLVPMVMEZCFDM-JTQLQIEISA-N 0 3 282.300 0.676 20 5 CCBDHN CN(CCN(C)C1CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000186780049 351513671 /nfs/dbraw/zinc/51/36/71/351513671.db2.gz YOAPYKGNBBYVCM-UHFFFAOYSA-N 0 3 267.333 0.817 20 5 CCBDHN CCCc1n[nH]c(C(=O)N2CCN[C@H](C)C2)c1[N+](=O)[O-] ZINC000188414083 351594871 /nfs/dbraw/zinc/59/48/71/351594871.db2.gz DGCWEROMWGJYOE-MRVPVSSYSA-N 0 3 281.316 0.704 20 5 CCBDHN CCCc1[nH]nc(C(=O)N2CCN[C@H](C)C2)c1[N+](=O)[O-] ZINC000188414083 351594872 /nfs/dbraw/zinc/59/48/72/351594872.db2.gz DGCWEROMWGJYOE-MRVPVSSYSA-N 0 3 281.316 0.704 20 5 CCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1=CC[NH2+]CC1 ZINC000189297645 351666163 /nfs/dbraw/zinc/66/61/63/351666163.db2.gz YSCJXOBOCPJONA-UHFFFAOYSA-N 0 3 297.336 0.793 20 5 CCBDHN NC(=O)C1(NCCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000123222389 187078492 /nfs/dbraw/zinc/07/84/92/187078492.db2.gz ZDOWZVRKPJZZTM-UHFFFAOYSA-N 0 3 281.316 0.569 20 5 CCBDHN CNC(=O)c1ccc(NC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000212662489 351930611 /nfs/dbraw/zinc/93/06/11/351930611.db2.gz NINSRWLYTGZRDN-JTQLQIEISA-N 0 3 294.311 0.355 20 5 CCBDHN COCCNCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000215503879 351935907 /nfs/dbraw/zinc/93/59/07/351935907.db2.gz ZTGFUMZLKJDLAF-UHFFFAOYSA-N 0 3 254.290 0.946 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2C[C@@H](O)[C@H](O)C2)cc1 ZINC000236528959 352196737 /nfs/dbraw/zinc/19/67/37/352196737.db2.gz KYDSTHRFEMSWLV-VXGBXAGGSA-N 0 3 252.270 0.175 20 5 CCBDHN NC1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000237903815 352288466 /nfs/dbraw/zinc/28/84/66/352288466.db2.gz LQSAEEZXRPPRKR-SECBINFHSA-N 0 3 291.311 0.494 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NCCCN1CCN(C)CC1 ZINC000266603672 352712894 /nfs/dbraw/zinc/71/28/94/352712894.db2.gz PTTWIGKDQRVYPT-UHFFFAOYSA-N 0 3 282.348 0.378 20 5 CCBDHN C[C@@H](O)CCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000269855315 352881286 /nfs/dbraw/zinc/88/12/86/352881286.db2.gz HRLHDISCZBBKNR-SNVBAGLBSA-N 0 3 269.301 0.459 20 5 CCBDHN CN1CCN(CCn2ccc([N+](=O)[O-])n2)C(C)(C)C1 ZINC000271049495 353017469 /nfs/dbraw/zinc/01/74/69/353017469.db2.gz PGTZYCXINWPXDM-UHFFFAOYSA-N 0 3 267.333 0.817 20 5 CCBDHN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272909004 353105193 /nfs/dbraw/zinc/10/51/93/353105193.db2.gz JIGRQLYGRZXLME-QMMMGPOBSA-N 0 3 279.300 0.698 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272707507 353086660 /nfs/dbraw/zinc/08/66/60/353086660.db2.gz ZZYCVFJXEJWAOH-ZJUUUORDSA-N 0 3 293.327 0.793 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272707507 353086662 /nfs/dbraw/zinc/08/66/62/353086662.db2.gz ZZYCVFJXEJWAOH-ZJUUUORDSA-N 0 3 293.327 0.793 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000152997692 188059246 /nfs/dbraw/zinc/05/92/46/188059246.db2.gz YLWZDDJEZKESJX-CQSZACIVSA-N 0 3 295.339 0.946 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1C ZINC000277466309 353245006 /nfs/dbraw/zinc/24/50/06/353245006.db2.gz JIWTZEDEVFFFPN-HTQZYQBOSA-N 0 3 252.274 0.745 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@]2(CCN(C)C2)C1 ZINC000292386792 353783986 /nfs/dbraw/zinc/78/39/86/353783986.db2.gz TVCNUUIAQJTRBI-LBPRGKRZSA-N 0 3 265.317 0.860 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000299327236 354009116 /nfs/dbraw/zinc/00/91/16/354009116.db2.gz YUQPCCFDDHWJTG-VIFPVBQESA-N 0 3 267.289 0.002 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)C1CC1 ZINC000304796385 354122406 /nfs/dbraw/zinc/12/24/06/354122406.db2.gz WAVDMWHJWYUUMX-SNVBAGLBSA-N 0 3 254.290 0.494 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2CN(C)C)n1 ZINC000332711240 354726840 /nfs/dbraw/zinc/72/68/40/354726840.db2.gz PAXJJSWLTBJWPB-JTQLQIEISA-N 0 3 295.343 0.977 20 5 CCBDHN CO[C@H](CN)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353136313 356162651 /nfs/dbraw/zinc/16/26/51/356162651.db2.gz AVHTZXSBWGWFNA-LLVKDONJSA-N 0 3 282.300 0.097 20 5 CCBDHN CN(C)CCOCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354503912 356427812 /nfs/dbraw/zinc/42/78/12/356427812.db2.gz HNRXEWDESDNGDJ-UHFFFAOYSA-N 0 3 296.327 0.485 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)C2CC2)n1 ZINC000356278721 356739053 /nfs/dbraw/zinc/73/90/53/356739053.db2.gz JUFBRNXOBRRNOL-UHFFFAOYSA-N 0 3 295.343 0.977 20 5 CCBDHN CN(C)[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000359966231 356928673 /nfs/dbraw/zinc/92/86/73/356928673.db2.gz LQVYGYOQPKXLHB-WDEREUQCSA-N 0 3 269.276 0.845 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](O)C[C@H](C)C1 ZINC000401518733 357799848 /nfs/dbraw/zinc/79/98/48/357799848.db2.gz AOUOPOUUCMGCMG-GXSJLCMTSA-N 0 3 268.317 0.802 20 5 CCBDHN COCCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450311027 236080316 /nfs/dbraw/zinc/08/03/16/236080316.db2.gz YCWVSMLQFJARHM-NSHDSACASA-N 0 3 295.343 0.638 20 5 CCBDHN COc1cccc(N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000405254176 357823598 /nfs/dbraw/zinc/82/35/98/357823598.db2.gz FNYQFQOILMKGQY-WDEREUQCSA-N 0 3 293.323 0.859 20 5 CCBDHN CN1CC[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@@H]21 ZINC000568595363 358687302 /nfs/dbraw/zinc/68/73/02/358687302.db2.gz HFRNGRVSRLUMAQ-SKDRFNHKSA-N 0 3 291.311 0.580 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442477 359465539 /nfs/dbraw/zinc/46/55/39/359465539.db2.gz HEVXJNSOFPCWQL-ZJUUUORDSA-N 0 3 293.327 0.413 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000590444238 359466437 /nfs/dbraw/zinc/46/64/37/359466437.db2.gz MWCYYKOHNAGPRG-WPRPVWTQSA-N 0 3 279.300 0.104 20 5 CCBDHN CCc1n[nH]c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590444425 359466942 /nfs/dbraw/zinc/46/69/42/359466942.db2.gz LOIYGABROVTVIQ-WCBMZHEXSA-N 0 3 293.327 0.656 20 5 CCBDHN CCc1[nH]nc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590444425 359466948 /nfs/dbraw/zinc/46/69/48/359466948.db2.gz LOIYGABROVTVIQ-WCBMZHEXSA-N 0 3 293.327 0.656 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000590445031 359468232 /nfs/dbraw/zinc/46/82/32/359468232.db2.gz PLCVKUKIJAJDHN-SKDRFNHKSA-N 0 3 290.323 0.953 20 5 CCBDHN C[C@@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000563075389 291188675 /nfs/dbraw/zinc/18/86/75/291188675.db2.gz FFMYXELEEYIOQR-MRVPVSSYSA-N 0 3 253.258 0.437 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H]([NH3+])C2)cc1C ZINC000592382399 359829828 /nfs/dbraw/zinc/82/98/28/359829828.db2.gz QQLCGFCSBJMVNZ-AOOOYVTPSA-N 0 3 299.352 0.980 20 5 CCBDHN NC[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000594451566 360315631 /nfs/dbraw/zinc/31/56/31/360315631.db2.gz MGLVJLCZQNPOOL-ZETCQYMHSA-N 0 3 295.221 0.187 20 5 CCBDHN N[C@H]1C[C@H]2CN(c3sccc3[N+](=O)[O-])CCN2C1=O ZINC000594700795 360362122 /nfs/dbraw/zinc/36/21/22/360362122.db2.gz BUSQQODEBCKULS-YUMQZZPRSA-N 0 3 282.325 0.405 20 5 CCBDHN CC(C)(C(=O)N1CC[C@@H](F)[C@H](N)C1)n1cc([N+](=O)[O-])cn1 ZINC000595260647 360464229 /nfs/dbraw/zinc/46/42/29/360464229.db2.gz HEAPBMBBWBVOFD-NXEZZACHSA-N 0 3 299.306 0.424 20 5 CCBDHN C[C@]1(O)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000177973248 189082443 /nfs/dbraw/zinc/08/24/43/189082443.db2.gz QTXUVGKQYOMWKA-JSGCOSHPSA-N 0 3 296.323 0.791 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1COCCO1 ZINC000595744309 360635507 /nfs/dbraw/zinc/63/55/07/360635507.db2.gz VRFGSQUVGFWEBZ-SNVBAGLBSA-N 0 3 270.289 0.139 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@]1(C)CO ZINC000595875144 360687394 /nfs/dbraw/zinc/68/73/94/360687394.db2.gz PTBDPIXHWRDRRD-SMDDNHRTSA-N 0 3 295.339 0.707 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCOC2(CNC2)C1 ZINC000596097059 360793157 /nfs/dbraw/zinc/79/31/57/360793157.db2.gz DTOYTUPNXRPOBU-UHFFFAOYSA-N 0 3 283.309 0.471 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](CO)CN(C)C)n1 ZINC000596243025 360850197 /nfs/dbraw/zinc/85/01/97/360850197.db2.gz JKLXAZQNPDBDQR-JTQLQIEISA-N 0 3 268.317 0.941 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN(C)C ZINC000597652932 361174517 /nfs/dbraw/zinc/17/45/17/361174517.db2.gz GFHWMDHJZPQYQL-LLVKDONJSA-N 0 3 295.339 0.864 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597926024 361284613 /nfs/dbraw/zinc/28/46/13/361284613.db2.gz ZOCNAKRKZQSBJS-SECBINFHSA-N 0 3 295.343 0.931 20 5 CCBDHN CN(C)CCSc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301586971 201084006 /nfs/dbraw/zinc/08/40/06/201084006.db2.gz BKXOYNJFTWNUQB-UHFFFAOYSA-N 0 3 270.314 0.742 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN[C@H](C(C)C)C1 ZINC000598569777 361445829 /nfs/dbraw/zinc/44/58/29/361445829.db2.gz DRMAAWAWNYILBY-NSHDSACASA-N 0 3 295.343 0.556 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)N[C@@H](C)C2)n1 ZINC000599110203 361575305 /nfs/dbraw/zinc/57/53/05/361575305.db2.gz KVYRSACYGSERAJ-DTORHVGOSA-N 0 3 294.311 0.963 20 5 CCBDHN CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000565311092 291371645 /nfs/dbraw/zinc/37/16/45/291371645.db2.gz AJEDPYIHPVCQQJ-UHFFFAOYSA-N 0 3 267.333 0.817 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000330908260 203377878 /nfs/dbraw/zinc/37/78/78/203377878.db2.gz OGYFSMJKPTXWPY-ZJUUUORDSA-N 0 3 281.316 0.390 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](O)C1 ZINC000181769581 285165419 /nfs/dbraw/zinc/16/54/19/285165419.db2.gz LJVHSMZCIHFLDE-GHMZBOCLSA-N 0 3 282.296 0.401 20 5 CCBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@H]1O ZINC000285880766 388808803 /nfs/dbraw/zinc/80/88/03/388808803.db2.gz JKRLWYQBGDNDBD-CHWSQXEVSA-N 0 3 266.297 0.829 20 5 CCBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184492636 388774191 /nfs/dbraw/zinc/77/41/91/388774191.db2.gz NRKOTAQFZZDOIW-UHFFFAOYSA-N 0 3 267.289 0.254 20 5 CCBDHN CN(C)C1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000340013098 389145329 /nfs/dbraw/zinc/14/53/29/389145329.db2.gz HKBJRLRWTJLYQM-UHFFFAOYSA-N 0 3 264.285 0.444 20 5 CCBDHN CCN(C)C[C@H](O)Cn1c(C)c([N+](=O)[O-])ccc1=O ZINC000311940828 389106190 /nfs/dbraw/zinc/10/61/90/389106190.db2.gz JLWIYWROKLYLKO-JTQLQIEISA-N 0 3 269.301 0.378 20 5 CCBDHN CCN1CCC[C@@H]1CN(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331022235 389286522 /nfs/dbraw/zinc/28/65/22/389286522.db2.gz QIBUEXMOWSFJPU-SNVBAGLBSA-N 0 3 296.331 0.129 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000153024345 389294582 /nfs/dbraw/zinc/29/45/82/389294582.db2.gz MTXTWTNXPIXDEP-CYBMUJFWSA-N 0 3 281.312 0.637 20 5 CCBDHN CN(C[C@@H]1CCCN1C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000421704771 389370371 /nfs/dbraw/zinc/37/03/71/389370371.db2.gz PTQZDKUDHLYBEB-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN CN(C[C@H]1CCCN1C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000421701278 389370752 /nfs/dbraw/zinc/37/07/52/389370752.db2.gz HJNKSAOMVNQMSP-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C2CC2)C1 ZINC000350078226 389483776 /nfs/dbraw/zinc/48/37/76/389483776.db2.gz MUXDVRIAYPUBFX-GFCCVEGCSA-N 0 3 279.344 0.960 20 5 CCBDHN COc1cc(C(=O)NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000164895249 389437320 /nfs/dbraw/zinc/43/73/20/389437320.db2.gz OWVZPGWBYGECQH-JTQLQIEISA-N 0 3 295.295 0.322 20 5 CCBDHN CC(C)N(CCN(C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271469887 389443947 /nfs/dbraw/zinc/44/39/47/389443947.db2.gz YKQJQKABZKXCQG-UHFFFAOYSA-N 0 3 283.332 0.741 20 5 CCBDHN CN(C)C(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174810246 389530851 /nfs/dbraw/zinc/53/08/51/389530851.db2.gz OKJKMLYFDRLWLH-UHFFFAOYSA-N 0 3 295.343 0.592 20 5 CCBDHN CN1CCNC[C@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000414961021 389647652 /nfs/dbraw/zinc/64/76/52/389647652.db2.gz HTJNNLNJONKEGY-ZDUSSCGKSA-N 0 3 264.329 0.588 20 5 CCBDHN Cc1cc([N+](=O)[O-])cn(C[C@H](O)CN(C)C2CC2)c1=O ZINC000414141496 389602778 /nfs/dbraw/zinc/60/27/78/389602778.db2.gz JRFLPNYNIMQGGL-GFCCVEGCSA-N 0 3 281.312 0.520 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)CN1C ZINC000351960211 389725449 /nfs/dbraw/zinc/72/54/49/389725449.db2.gz SPQOKKWDIYPYFB-GHMZBOCLSA-N 0 3 267.333 0.816 20 5 CCBDHN COC[C@H](NCCn1ccc([N+](=O)[O-])n1)[C@H]1CCCO1 ZINC000434797680 389947024 /nfs/dbraw/zinc/94/70/24/389947024.db2.gz ZZVUTUUUGIFMIR-WDEREUQCSA-N 0 3 284.316 0.575 20 5 CCBDHN CN(C[C@H]1CCCN1C)c1ncc([N+](=O)[O-])cn1 ZINC000420637005 390019574 /nfs/dbraw/zinc/01/95/74/390019574.db2.gz OEICFFAMRXGFLZ-SECBINFHSA-N 0 3 251.290 0.915 20 5 CCBDHN CC(C)N1CC[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000457089156 390027599 /nfs/dbraw/zinc/02/75/99/390027599.db2.gz KXQLEEUWKCITQH-VIFPVBQESA-N 0 3 281.316 0.873 20 5 CCBDHN CN(C)CC(C)(C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000457213859 390034606 /nfs/dbraw/zinc/03/46/06/390034606.db2.gz VJLWXCVHLMMZFL-UHFFFAOYSA-N 0 3 296.327 0.213 20 5 CCBDHN C[C@H]1[C@H](CO)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000488765251 390095952 /nfs/dbraw/zinc/09/59/52/390095952.db2.gz HSBBLNMRWDVFQY-UWVGGRQHSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](C)CN1 ZINC000579573351 390185522 /nfs/dbraw/zinc/18/55/22/390185522.db2.gz KMKMEFQUVRLVNL-BDAKNGLRSA-N 0 3 276.300 0.824 20 5 CCBDHN CNc1nccc(C(=O)NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000566813634 390650564 /nfs/dbraw/zinc/65/05/64/390650564.db2.gz YACSPJSIBKBGKA-UHFFFAOYSA-N 0 3 293.327 0.277 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N(C)C)C2)n1 ZINC000191797854 130305466 /nfs/dbraw/zinc/30/54/66/130305466.db2.gz RNBWFVWVOZVRGS-SNVBAGLBSA-N 0 3 295.343 0.977 20 5 CCBDHN COCCNCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000212789234 130754376 /nfs/dbraw/zinc/75/43/76/130754376.db2.gz BTVWAARBCAKKLV-UHFFFAOYSA-N 0 3 273.314 0.622 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000262830269 131265186 /nfs/dbraw/zinc/26/51/86/131265186.db2.gz UVJCZBPEUSDXDF-NXEZZACHSA-N 0 3 295.343 0.699 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000358063090 144147241 /nfs/dbraw/zinc/14/72/41/144147241.db2.gz YKMHMYCOEGTPDU-CYBMUJFWSA-N 0 3 297.286 0.530 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@](O)(C3CC3)C2)n1 ZINC000368474194 144226834 /nfs/dbraw/zinc/22/68/34/144226834.db2.gz MZDILESJTTYSFO-LBPRGKRZSA-N 0 3 266.301 0.638 20 5 CCBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285521038 196313653 /nfs/dbraw/zinc/31/36/53/196313653.db2.gz OGQBEQKSRRLYIL-VIFPVBQESA-N 0 3 281.316 0.732 20 5 CCBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000285537401 196319538 /nfs/dbraw/zinc/31/95/38/196319538.db2.gz PPHYCRBNAKTNIK-NSHDSACASA-N 0 3 296.323 0.791 20 5 CCBDHN C[C@H](NCCC(=O)NC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000298478053 278256766 /nfs/dbraw/zinc/25/67/66/278256766.db2.gz SSHASQPMSQPLTF-QMMMGPOBSA-N 0 3 280.284 0.830 20 5 CCBDHN Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000582992371 329294438 /nfs/dbraw/zinc/29/44/38/329294438.db2.gz CYRHGDWRDMQOCW-STQMWFEESA-N 0 3 293.323 0.650 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580465748 330143203 /nfs/dbraw/zinc/14/32/03/330143203.db2.gz VPLDTPXDFLSJHI-QWRGUYRKSA-N 0 3 290.323 0.651 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580465746 330143257 /nfs/dbraw/zinc/14/32/57/330143257.db2.gz VPLDTPXDFLSJHI-GHMZBOCLSA-N 0 3 290.323 0.651 20 5 CCBDHN C[C@@H]1OCC[C@@H]1N(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000361562155 534172516 /nfs/dbraw/zinc/17/25/16/534172516.db2.gz HYQDAAPSKGAILJ-JQWIXIFHSA-N 0 3 284.316 0.263 20 5 CCBDHN CCN(CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000183984418 521111675 /nfs/dbraw/zinc/11/16/75/521111675.db2.gz JUUIKLDEDYXLMN-UHFFFAOYSA-N 0 3 281.312 0.639 20 5 CCBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CNCCO1 ZINC000423987313 534630322 /nfs/dbraw/zinc/63/03/22/534630322.db2.gz HIWFETDAOSGWDF-GFCCVEGCSA-N 0 3 295.295 0.078 20 5 CCBDHN CC(C)(C(=O)N1CCNC(C)(C)C1)n1cc([N+](=O)[O-])cn1 ZINC000423702675 527509252 /nfs/dbraw/zinc/50/92/52/527509252.db2.gz AHIUSAMXETVZQB-UHFFFAOYSA-N 0 3 295.343 0.737 20 5 CCBDHN CCN1CCC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000450220391 529076052 /nfs/dbraw/zinc/07/60/52/529076052.db2.gz YQVCWGNENRKMLH-SNVBAGLBSA-N 0 3 290.327 0.956 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](O)c2ccco2)c1 ZINC000743259947 581805148 /nfs/dbraw/zinc/80/51/48/581805148.db2.gz RGJJSDBIGDYLMD-MNOVXSKESA-N 0 3 296.283 0.068 20 5 CCBDHN CN1CC[C@@](O)(CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000762816619 581963905 /nfs/dbraw/zinc/96/39/05/581963905.db2.gz RXZIDBMTGVWAIN-CYBMUJFWSA-N 0 3 291.311 0.721 20 5 CCBDHN NC(=O)c1ccc(CN[C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000763087247 581985214 /nfs/dbraw/zinc/98/52/14/581985214.db2.gz UUXJVLKBFLDJKB-NSHDSACASA-N 0 3 279.296 0.554 20 5 CCBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC2(CO)CCOCC2)c1 ZINC000750051724 582032059 /nfs/dbraw/zinc/03/20/59/582032059.db2.gz LFNHRKWAAHRUGA-ZDUSSCGKSA-N 0 3 296.323 0.759 20 5 CCBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](CO)C2)cc1 ZINC000776584041 582081148 /nfs/dbraw/zinc/08/11/48/582081148.db2.gz JBPRJLSDGTUQSR-GXFFZTMASA-N 0 3 266.297 0.942 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000776597098 582084030 /nfs/dbraw/zinc/08/40/30/582084030.db2.gz HFOMFGYRYIGNQP-JIMOISOXSA-N 0 3 266.297 0.941 20 5 CCBDHN Cc1cc(NCCn2cc([N+](=O)[O-])cn2)nc(N)n1 ZINC000768540276 582107769 /nfs/dbraw/zinc/10/77/69/582107769.db2.gz WCEUUPAOTBXVNV-UHFFFAOYSA-N 0 3 263.261 0.584 20 5 CCBDHN CC(C)NC(=O)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813108286 613908426 /nfs/dbraw/zinc/90/84/26/613908426.db2.gz CRJPWMCRBFWNTB-SECBINFHSA-N 0 3 260.290 0.890 20 5 CCBDHN CC(=O)Nc1nc(C(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813103175 614209499 /nfs/dbraw/zinc/20/94/99/614209499.db2.gz YRWKQCPYDUQZMK-RXMQYKEDSA-N 0 3 273.270 0.924 20 5 CCBDHN CCOCCn1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000857029201 615302766 /nfs/dbraw/zinc/30/27/66/615302766.db2.gz KSEHAOCJZGWECN-SECBINFHSA-N 0 3 271.273 0.742 20 5 CCBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000833859398 615908987 /nfs/dbraw/zinc/90/89/87/615908987.db2.gz IAKVNEDXBZBFAZ-UHFFFAOYSA-N 0 3 296.327 0.884 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000912608663 616101748 /nfs/dbraw/zinc/10/17/48/616101748.db2.gz JMCUKWYQRPHLHJ-UHFFFAOYSA-N 0 3 299.302 0.730 20 5 CCBDHN CN(CCO)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000899728705 616104083 /nfs/dbraw/zinc/10/40/83/616104083.db2.gz UTZTWYWRJPDGDH-UHFFFAOYSA-N 0 3 281.312 0.178 20 5 CCBDHN CN(C[C@@H]1CCCN1C)c1c([N+](=O)[O-])cnn1C ZINC000894249639 616137227 /nfs/dbraw/zinc/13/72/27/616137227.db2.gz YKGFTUUMOMFVHO-VIFPVBQESA-N 0 3 253.306 0.859 20 5 CCBDHN CN1CCN(C)CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000897097575 616237245 /nfs/dbraw/zinc/23/72/45/616237245.db2.gz NEJFQGVYXBAMHI-UHFFFAOYSA-N 0 3 280.332 0.068 20 5 CCBDHN COC(=O)C12CC(C(=O)OCC(C)[N+](=O)[O-])(C1)C2 ZINC000842801817 616399158 /nfs/dbraw/zinc/39/91/58/616399158.db2.gz MUVNWMCBWHXCTC-ARTQYDKTSA-N 0 3 257.242 0.538 20 5 CCBDHN CN1CC[C@](O)(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804614724 616455970 /nfs/dbraw/zinc/45/59/70/616455970.db2.gz BVDAFDPACTZQSF-LBPRGKRZSA-N 0 3 296.283 0.982 20 5 CCBDHN CO[C@@H]1CC[C@@H]1N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000934114238 616694656 /nfs/dbraw/zinc/69/46/56/616694656.db2.gz GVNGGBDKJKWEEW-WDEREUQCSA-N 0 3 254.290 0.901 20 5 CCBDHN C[C@@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CN2CCC1CC2 ZINC000892791542 623838795 /nfs/dbraw/zinc/83/87/95/623838795.db2.gz MBMIUDXVRNNNNF-CYBMUJFWSA-N 0 3 293.327 0.392 20 5 CCBDHN CC(COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)[N+](=O)[O-] ZINC000813103433 624648770 /nfs/dbraw/zinc/64/87/70/624648770.db2.gz AHTPKNMLLQOJRT-VHSKPIJISA-N 0 3 288.325 0.649 20 5 CCBDHN CC(COC(=O)c1ccc(CNC(N)=O)cc1)[N+](=O)[O-] ZINC000813104588 624649206 /nfs/dbraw/zinc/64/92/06/624649206.db2.gz FAQIBBKFRKXSFM-MRVPVSSYSA-N 0 3 281.268 0.677 20 5 CCBDHN CC(COC(=O)c1cccc(C(N)=O)c1)[N+](=O)[O-] ZINC000813104617 624649303 /nfs/dbraw/zinc/64/93/03/624649303.db2.gz PBOVHBZIKZYFBJ-SSDOTTSWSA-N 0 3 252.226 0.608 20 5 CCBDHN CC(COC(=O)CCOC1CCOCC1)[N+](=O)[O-] ZINC000813115812 624679879 /nfs/dbraw/zinc/67/98/79/624679879.db2.gz ZZFSTJIPMYUJME-VIFPVBQESA-N 0 3 261.274 0.781 20 5 CCBDHN O=C(CCN1CC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000934013187 625002192 /nfs/dbraw/zinc/00/21/92/625002192.db2.gz GCBRGNDJYZLEBM-SNVBAGLBSA-N 0 3 279.296 0.990 20 5 CCBDHN Cn1cc(N2CCC[C@@H](NCC[N+](=O)[O-])C2)cn1 ZINC000905140996 634807464 /nfs/dbraw/zinc/80/74/64/634807464.db2.gz XCCUTSMMTCFNDU-SNVBAGLBSA-N 0 3 253.306 0.255 20 5 CCBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2CNOC2)n1 ZINC000925868067 631417558 /nfs/dbraw/zinc/41/75/58/631417558.db2.gz ABZLMFSTDSWCNV-HBNTYKKESA-N 0 3 281.316 0.768 20 5 CCBDHN Cc1c(CC(=O)NCCN(C)CCO)cccc1[N+](=O)[O-] ZINC000899736578 633879046 /nfs/dbraw/zinc/87/90/46/633879046.db2.gz LHOGCYYLXVOQBJ-UHFFFAOYSA-N 0 3 295.339 0.486 20 5 CCBDHN O=[N+]([O-])CCN[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000905355002 634847516 /nfs/dbraw/zinc/84/75/16/634847516.db2.gz QZVKGVZZGCXIPN-GJZGRUSLSA-N 0 3 293.367 0.736 20 5 CCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)OCCN1CCCCC1 ZINC000917538565 637974908 /nfs/dbraw/zinc/97/49/08/637974908.db2.gz RQPSEBJMMRBMMN-UHFFFAOYSA-N 0 3 282.300 0.820 20 5 CCBDHN Cc1nccn1CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839710069 640356300 /nfs/dbraw/zinc/35/63/00/640356300.db2.gz POTKBFINHBZQFT-GHMZBOCLSA-N 0 3 266.301 0.705 20 5 CCBDHN Cc1cnc(COCC(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813103107 641022101 /nfs/dbraw/zinc/02/21/01/641022101.db2.gz NTVCGBPEQIFMOQ-SSDOTTSWSA-N 0 3 258.230 0.708 20 5 CCBDHN CC(COC(=O)C[C@H](NC(N)=O)c1ccccc1)[N+](=O)[O-] ZINC000813105293 641022295 /nfs/dbraw/zinc/02/22/95/641022295.db2.gz XMLOOMHWHCPDKZ-KOLCDFICSA-N 0 3 295.295 0.995 20 5 CCBDHN CC(COC(=O)CCn1ccccc1=O)[N+](=O)[O-] ZINC000813105793 641022547 /nfs/dbraw/zinc/02/25/47/641022547.db2.gz UPLZZSBHZMAEED-SECBINFHSA-N 0 3 254.242 0.447 20 5 CCBDHN CC(COC(=O)[C@H]1CCc2cnn(C)c2C1)[N+](=O)[O-] ZINC000813105272 641022566 /nfs/dbraw/zinc/02/25/66/641022566.db2.gz LHIRWKJKAKSUMG-IUCAKERBSA-N 0 3 267.285 0.733 20 5 CCBDHN CC(COC(=O)Cn1c2ccccc2n(C)c1=O)[N+](=O)[O-] ZINC000813114037 641024406 /nfs/dbraw/zinc/02/44/06/641024406.db2.gz LJXOWTPBKPPFOP-VIFPVBQESA-N 0 3 293.279 0.548 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NOCCN(C)C ZINC000854947192 644276818 /nfs/dbraw/zinc/27/68/18/644276818.db2.gz KBNFROZXTJFROD-UHFFFAOYSA-N 0 3 268.273 0.521 20 5 CCBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccnn1C ZINC000879685394 647093955 /nfs/dbraw/zinc/09/39/55/647093955.db2.gz VUMDRFPGQNYUBU-SECBINFHSA-N 0 3 264.289 0.876 20 5 CCBDHN Cc1ccc(N2C(=O)N[C@H](CN(C)C)C2=O)cc1[N+](=O)[O-] ZINC000927174764 648546656 /nfs/dbraw/zinc/54/66/56/648546656.db2.gz LZJNUFCBFMPOJZ-SNVBAGLBSA-N 0 3 292.295 0.890 20 5 CCBDHN O=C(N[C@@H]1CCCN2CCSC[C@@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC000928079635 648611644 /nfs/dbraw/zinc/61/16/44/648611644.db2.gz NKJUYPCMRCPIMF-DBIOUOCHSA-N 0 3 285.369 0.348 20 5 CCBDHN C[C@@H](Nc1cc(N)c([N+](=O)[O-])cn1)[C@H]1CNCCO1 ZINC001159497944 801823435 /nfs/dbraw/zinc/82/34/35/801823435.db2.gz JXLJOXZBOVBKMS-GMSGAONNSA-N 0 3 267.289 0.361 20 5 CCBDHN Cc1cc(CN)nn1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001163985960 802645590 /nfs/dbraw/zinc/64/55/90/802645590.db2.gz LNGGKPMKCHMJAP-UHFFFAOYSA-N 0 3 273.256 0.590 20 5 CCBDHN COC(=O)c1cnc(NCCN(C)CCO)c([N+](=O)[O-])c1 ZINC001164120284 802669520 /nfs/dbraw/zinc/66/95/20/802669520.db2.gz QIXPQFLCSWIYJF-UHFFFAOYSA-N 0 3 298.299 0.112 20 5 CCBDHN O=[N+]([O-])c1cc(F)cnc1-n1cnc2c1CNCC2 ZINC001164310273 802718529 /nfs/dbraw/zinc/71/85/29/802718529.db2.gz NUIJIBZDEOWHAL-UHFFFAOYSA-N 0 3 263.232 0.960 20 5 CCBDHN CCOC(=O)CN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005687 836096022 /nfs/dbraw/zinc/09/60/22/836096022.db2.gz CGNGHXCXGXYONH-QWHCGFSZSA-N 0 3 299.371 0.613 20 5 CCBDHN CC(=O)N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)C1 ZINC001169035918 836109973 /nfs/dbraw/zinc/10/99/73/836109973.db2.gz DWESSRMMHYBGPY-UHTWSYAYSA-N 0 3 269.345 0.984 20 5 CCBDHN COC(=O)c1ncc([N+](=O)[O-])cc1-n1ccc([C@@H](C)N)n1 ZINC001169237858 836171338 /nfs/dbraw/zinc/17/13/38/836171338.db2.gz RGXCJCRIMQONML-SSDOTTSWSA-N 0 3 291.267 0.982 20 5 CCBDHN COc1cc(-n2nncc2CN)cnc1[N+](=O)[O-] ZINC001169312417 836192280 /nfs/dbraw/zinc/19/22/80/836192280.db2.gz YCFBOWOLTKXRKK-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN COc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170559707 838089565 /nfs/dbraw/zinc/08/95/65/838089565.db2.gz ZQBJDKZJORNZOO-KWQFWETISA-N 0 3 282.300 0.787 20 5 CCBDHN C[C@H](Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-])[C@H]1CNCCO1 ZINC001170562313 838107473 /nfs/dbraw/zinc/10/74/73/838107473.db2.gz IEHAIIIYYVVUDU-IONNQARKSA-N 0 3 286.263 0.156 20 5 CCBDHN C[C@@H](Nc1c[n+]([O-])ccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170568011 838138279 /nfs/dbraw/zinc/13/82/79/838138279.db2.gz MJJSYBXXSFFDMK-KCJUWKMLSA-N 0 3 268.273 0.017 20 5 CCBDHN CCN1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001178861198 842935389 /nfs/dbraw/zinc/93/53/89/842935389.db2.gz UPKPGESOADZSPR-JTQLQIEISA-N 0 3 295.343 0.788 20 5 CCBDHN CCCCCN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001481557420 892829493 /nfs/dbraw/zinc/82/94/93/892829493.db2.gz PACSFYLAIQCPHN-GHMZBOCLSA-N 0 3 255.318 0.642 20 5 CCBDHN CCNC(=O)C(C)(C)NCCn1c(C)ncc1[N+](=O)[O-] ZINC001307824054 908354973 /nfs/dbraw/zinc/35/49/73/908354973.db2.gz PZLGJHHNQJJHJL-UHFFFAOYSA-N 0 3 283.332 0.604 20 5 CCBDHN CCC(C)(C)N1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001341371822 922449999 /nfs/dbraw/zinc/44/99/99/922449999.db2.gz MYEKKINSLKFNDZ-UHFFFAOYSA-N 0 3 296.375 0.902 20 5 CCBDHN CN1CCNC[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001357303013 926508415 /nfs/dbraw/zinc/50/84/15/926508415.db2.gz NKQFNZWGYJXVFX-CYBMUJFWSA-N 0 3 290.323 0.341 20 5 CCBDHN C[C@@H](O)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090529748 349438481 /nfs/dbraw/zinc/43/84/81/349438481.db2.gz LTTIPEMCLISZLA-DGCLKSJQSA-N 0 3 295.339 0.992 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1CCO ZINC000090525957 349439040 /nfs/dbraw/zinc/43/90/40/349439040.db2.gz IOHSHPGBYUCTKT-GFCCVEGCSA-N 0 3 295.339 0.993 20 5 CCBDHN CN(C)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000268178408 282119379 /nfs/dbraw/zinc/11/93/79/282119379.db2.gz MYWSGHFYPHGLOZ-QMMMGPOBSA-N 0 3 266.305 0.497 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[NH2+]C2)nc1 ZINC000095091932 349589815 /nfs/dbraw/zinc/58/98/15/349589815.db2.gz PTBMZLGVKYQSOK-QMMMGPOBSA-N 0 3 286.313 0.020 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2CO)c1 ZINC000101546688 349663166 /nfs/dbraw/zinc/66/31/66/349663166.db2.gz CLUBGQRKWNQTHC-OLZOCXBDSA-N 0 3 296.323 0.791 20 5 CCBDHN Cc1nn(CCC(=O)NCCN(C)C)c(C)c1[N+](=O)[O-] ZINC000102486775 349679025 /nfs/dbraw/zinc/67/90/25/349679025.db2.gz SFKUDFJSWSJPSH-UHFFFAOYSA-N 0 3 283.332 0.476 20 5 CCBDHN O=[N+]([O-])c1ccc(-c2cnc(N3CCNCC3)nc2)cn1 ZINC000600844922 362079115 /nfs/dbraw/zinc/07/91/15/362079115.db2.gz AYTPTJUHFVRAJH-UHFFFAOYSA-N 0 3 286.295 0.856 20 5 CCBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN(C)C ZINC000301111193 529932825 /nfs/dbraw/zinc/93/28/25/529932825.db2.gz VRDNJPGFHBMHJO-UHFFFAOYSA-N 0 3 266.301 0.928 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2COC[C@@H]2C1 ZINC000601975013 362446015 /nfs/dbraw/zinc/44/60/15/362446015.db2.gz WZKUTCKYXZQEBZ-PHIMTYICSA-N 0 3 266.301 0.678 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000127277092 187294237 /nfs/dbraw/zinc/29/42/37/187294237.db2.gz ZCJVHFZNJQNCDV-SNVBAGLBSA-N 0 3 281.316 0.392 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)[C@@H]1CCO[C@H]1C ZINC000602822256 362818472 /nfs/dbraw/zinc/81/84/72/362818472.db2.gz ULWRBHWVHHPJRH-CMPLNLGQSA-N 0 3 298.343 0.571 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000343717204 137152151 /nfs/dbraw/zinc/15/21/51/137152151.db2.gz SAUQDIFQIZMKIP-MDZLAQPJSA-N 0 3 296.323 0.647 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@]2(O)C[C@H]2C1 ZINC000602899364 362874400 /nfs/dbraw/zinc/87/44/00/362874400.db2.gz ZOEKCCHGKFXVBF-CMPLNLGQSA-N 0 3 266.301 0.556 20 5 CCBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000042591936 348286632 /nfs/dbraw/zinc/28/66/32/348286632.db2.gz MYWLDPQSJOHDOB-UHFFFAOYSA-N 0 3 296.327 0.555 20 5 CCBDHN COC[C@@](C)(CO)NCCOc1cccc([N+](=O)[O-])c1 ZINC000602932565 362893748 /nfs/dbraw/zinc/89/37/48/362893748.db2.gz PZVYXDNGIRQZEQ-CYBMUJFWSA-N 0 3 284.312 0.961 20 5 CCBDHN CO[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@](C)(CO)C1 ZINC000602963784 362910800 /nfs/dbraw/zinc/91/08/00/362910800.db2.gz IKRMBJVPBQZHLB-JQWIXIFHSA-N 0 3 284.316 0.263 20 5 CCBDHN C[C@H]1CCCN(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000046861327 348363940 /nfs/dbraw/zinc/36/39/40/348363940.db2.gz DLYLAJWHDMVBTB-NSHDSACASA-N 0 3 295.343 0.639 20 5 CCBDHN CN(C)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347433815 137335981 /nfs/dbraw/zinc/33/59/81/137335981.db2.gz QALJUOKYJXNMCS-UHFFFAOYSA-N 0 3 261.285 0.933 20 5 CCBDHN Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000069533850 348851589 /nfs/dbraw/zinc/85/15/89/348851589.db2.gz ASUNKEGTGUGUJL-ZETCQYMHSA-N 0 3 281.316 0.839 20 5 CCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H](C)N1C ZINC000339618864 215272980 /nfs/dbraw/zinc/27/29/80/215272980.db2.gz IWRMMFOKFKYQFU-QWRGUYRKSA-N 0 3 267.333 0.816 20 5 CCBDHN CNC(=O)[C@H](C)CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000081525420 349271757 /nfs/dbraw/zinc/27/17/57/349271757.db2.gz JIXUSXGWLMVZAP-SECBINFHSA-N 0 3 269.305 0.105 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])s1 ZINC000134258016 350358181 /nfs/dbraw/zinc/35/81/81/350358181.db2.gz LBPMZNFFYAKRJF-SSDOTTSWSA-N 0 3 271.298 0.375 20 5 CCBDHN CN1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000141814518 350455821 /nfs/dbraw/zinc/45/58/21/350455821.db2.gz JFZWMMCRXFKUJU-UHFFFAOYSA-N 0 3 267.289 0.002 20 5 CCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(C2CC2)C1 ZINC000144361337 350462932 /nfs/dbraw/zinc/46/29/32/350462932.db2.gz AGMIMSPKKNIBJO-SECBINFHSA-N 0 3 279.300 0.144 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000153289540 350556609 /nfs/dbraw/zinc/55/66/09/350556609.db2.gz SXEHKAIAMJGTLY-CYBMUJFWSA-N 0 3 296.327 0.341 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(C)C1 ZINC000108904457 186235969 /nfs/dbraw/zinc/23/59/69/186235969.db2.gz QMTDYHDHZRLTIR-SNVBAGLBSA-N 0 3 278.312 0.980 20 5 CCBDHN C[C@@H](CO)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000163161479 350761528 /nfs/dbraw/zinc/76/15/28/350761528.db2.gz KTQGHCTYKVUGTO-JQWIXIFHSA-N 0 3 284.312 0.647 20 5 CCBDHN CC[C@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169189692 350836636 /nfs/dbraw/zinc/83/66/36/350836636.db2.gz NVJMCMMITUQANF-ONGXEEELSA-N 0 3 293.327 0.740 20 5 CCBDHN CN(C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000174980682 351113364 /nfs/dbraw/zinc/11/33/64/351113364.db2.gz MYKPFQDNNXKMRL-UHFFFAOYSA-N 0 3 251.286 0.815 20 5 CCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000176227504 351161863 /nfs/dbraw/zinc/16/18/63/351161863.db2.gz GAYKNIAJZPBAFO-JTQLQIEISA-N 0 3 254.290 0.902 20 5 CCBDHN COC(=O)[C@H](C)CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176244714 351163738 /nfs/dbraw/zinc/16/37/38/351163738.db2.gz IELNSYXZFQWIPM-SECBINFHSA-N 0 3 270.289 0.532 20 5 CCBDHN CNC(=O)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176239261 351163829 /nfs/dbraw/zinc/16/38/29/351163829.db2.gz LEYACFHKERFUKK-JTQLQIEISA-N 0 3 281.316 0.249 20 5 CCBDHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180939895 351295131 /nfs/dbraw/zinc/29/51/31/351295131.db2.gz DKUKXTMWWOHRHA-UHFFFAOYSA-N 0 3 294.311 0.553 20 5 CCBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H](F)CN1 ZINC000188318373 351588343 /nfs/dbraw/zinc/58/83/43/351588343.db2.gz BELRXIQAZOHMKS-VHSXEESVSA-N 0 3 267.260 0.911 20 5 CCBDHN COC(=O)c1cnc(N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000189336975 351670697 /nfs/dbraw/zinc/67/06/97/351670697.db2.gz GVYFEYRPIXNWQI-UHFFFAOYSA-N 0 3 282.300 0.774 20 5 CCBDHN C[C@@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193402843 351827056 /nfs/dbraw/zinc/82/70/56/351827056.db2.gz OCFNVJUYZSIZIN-NXEZZACHSA-N 0 3 299.352 0.871 20 5 CCBDHN CNC(=O)c1ccc(NCCNCCOC)c([N+](=O)[O-])c1 ZINC000216078568 351939518 /nfs/dbraw/zinc/93/95/18/351939518.db2.gz YRKQMLGTQSQCCH-UHFFFAOYSA-N 0 3 296.327 0.602 20 5 CCBDHN COc1cc(CCNC(=O)[C@H](C)N)c([N+](=O)[O-])cc1OC ZINC000195139954 351898194 /nfs/dbraw/zinc/89/81/94/351898194.db2.gz BVAHKQQFYWCCGD-QMMMGPOBSA-N 0 3 297.311 0.618 20 5 CCBDHN COc1cc(CCNC(=O)CN)c([N+](=O)[O-])cc1OC ZINC000195139915 351898258 /nfs/dbraw/zinc/89/82/58/351898258.db2.gz VYQCCVBSSFPCHI-UHFFFAOYSA-N 0 3 283.284 0.229 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](O)[C@@H](C)C1 ZINC000230653428 352116701 /nfs/dbraw/zinc/11/67/01/352116701.db2.gz MOIKYOWZQORGOB-GXSJLCMTSA-N 0 3 268.317 0.802 20 5 CCBDHN CCCC[C@@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000236752929 352209927 /nfs/dbraw/zinc/20/99/27/352209927.db2.gz IALIIELDDZQLNC-SNVBAGLBSA-N 0 3 269.305 0.425 20 5 CCBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000237319165 352260945 /nfs/dbraw/zinc/26/09/45/352260945.db2.gz PWSBOEYGDOPLKE-UHFFFAOYSA-N 0 3 282.300 0.264 20 5 CCBDHN CN1CCC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000604198295 363180660 /nfs/dbraw/zinc/18/06/60/363180660.db2.gz FRHMBNYKZKEBGZ-SECBINFHSA-N 0 3 267.289 0.002 20 5 CCBDHN C[C@H](O)CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248452164 352441851 /nfs/dbraw/zinc/44/18/51/352441851.db2.gz JJRBZNQWCADAEA-WDEREUQCSA-N 0 3 284.312 0.647 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000267903761 352797154 /nfs/dbraw/zinc/79/71/54/352797154.db2.gz AYHWLXGXGRUWRY-VXNVDRBHSA-N 0 3 293.327 0.981 20 5 CCBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)CO ZINC000292185912 198194566 /nfs/dbraw/zinc/19/45/66/198194566.db2.gz MUTOIKQNPKTYAX-SNVBAGLBSA-N 0 3 269.301 0.459 20 5 CCBDHN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1 ZINC000272579086 353076636 /nfs/dbraw/zinc/07/66/36/353076636.db2.gz OALKFOUSKRTYJS-BDAKNGLRSA-N 0 3 267.289 0.000 20 5 CCBDHN COCCNCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000152439754 188019922 /nfs/dbraw/zinc/01/99/22/188019922.db2.gz XCFTURDURYPIPO-UHFFFAOYSA-N 0 3 281.312 0.869 20 5 CCBDHN O=[N+]([O-])c1cccc([C@H](O)CN(CCO)CCCO)c1 ZINC000154211301 188129550 /nfs/dbraw/zinc/12/95/50/188129550.db2.gz FWTBIKIARDXRNF-CYBMUJFWSA-N 0 3 284.312 0.305 20 5 CCBDHN C[C@@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1C ZINC000277466314 353245142 /nfs/dbraw/zinc/24/51/42/353245142.db2.gz JIWTZEDEVFFFPN-YUMQZZPRSA-N 0 3 252.274 0.745 20 5 CCBDHN NC(=O)c1ccnc(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000290444506 353727186 /nfs/dbraw/zinc/72/71/86/353727186.db2.gz CJBKIUBAHDNCGZ-UHFFFAOYSA-N 0 3 279.300 0.596 20 5 CCBDHN CCN(C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290694457 353743090 /nfs/dbraw/zinc/74/30/90/353743090.db2.gz UZDNZFGTRIFSCM-UHFFFAOYSA-N 0 3 267.289 0.452 20 5 CCBDHN Cc1nc(NC[C@@H](O)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000296256617 353938997 /nfs/dbraw/zinc/93/89/97/353938997.db2.gz FZLLRGRNMBWEQI-LLVKDONJSA-N 0 3 295.343 0.952 20 5 CCBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cnc([N+](=O)[O-])n1 ZINC000305286012 354143138 /nfs/dbraw/zinc/14/31/38/354143138.db2.gz DPKJJXOLDFPVCI-LBPRGKRZSA-N 0 3 291.311 0.679 20 5 CCBDHN CN(C[C@@H]1CCCN1C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000331247744 354504867 /nfs/dbraw/zinc/50/48/67/354504867.db2.gz VVESDZCNOSHQAO-QMMMGPOBSA-N 0 3 267.289 0.484 20 5 CCBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000353481936 356235044 /nfs/dbraw/zinc/23/50/44/356235044.db2.gz LFTMPSJURVMYFB-BPCQOVAHSA-N 0 3 296.323 0.790 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@](C)(O)CO ZINC000619464270 366263570 /nfs/dbraw/zinc/26/35/70/366263570.db2.gz JRKPPZLQMZSQTG-LBPRGKRZSA-N 0 3 254.286 0.736 20 5 CCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCCC1 ZINC000560479406 291104415 /nfs/dbraw/zinc/10/44/15/291104415.db2.gz NZZRIXVPAVBJFV-MRVPVSSYSA-N 0 3 267.289 0.532 20 5 CCBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356210231 356724641 /nfs/dbraw/zinc/72/46/41/356724641.db2.gz HCTBJVLKUOOYFS-SNVBAGLBSA-N 0 3 295.343 0.742 20 5 CCBDHN CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000359588726 356852932 /nfs/dbraw/zinc/85/29/32/356852932.db2.gz LXCTYIWKTLDEHO-UHFFFAOYSA-N 0 3 254.290 0.567 20 5 CCBDHN CN(C)[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000359966230 356929130 /nfs/dbraw/zinc/92/91/30/356929130.db2.gz LQVYGYOQPKXLHB-MNOVXSKESA-N 0 3 269.276 0.845 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCCN1CCO ZINC000450617609 236101554 /nfs/dbraw/zinc/10/15/54/236101554.db2.gz RRXNOTOTHCCUCL-JTQLQIEISA-N 0 3 283.332 0.587 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCN1CCCO ZINC000450588389 236097138 /nfs/dbraw/zinc/09/71/38/236097138.db2.gz BAZOVXZRCHXWCF-GFCCVEGCSA-N 0 3 294.355 0.979 20 5 CCBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])[nH]1 ZINC000452782357 236261298 /nfs/dbraw/zinc/26/12/98/236261298.db2.gz KLWKJTKEIKEZJM-JTQLQIEISA-N 0 3 296.327 0.500 20 5 CCBDHN Cc1nn(C)c(N2CC[C@H](OCCN(C)C)C2)c1[N+](=O)[O-] ZINC000610764388 363611728 /nfs/dbraw/zinc/61/17/28/363611728.db2.gz DSXINRWCUDIFCX-NSHDSACASA-N 0 3 297.359 0.794 20 5 CCBDHN CCCC[C@@H](CN)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000567892498 358607385 /nfs/dbraw/zinc/60/73/85/358607385.db2.gz HPCYDLQNDULFTF-JTQLQIEISA-N 0 3 296.327 0.390 20 5 CCBDHN NC1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000088130937 283398067 /nfs/dbraw/zinc/39/80/67/283398067.db2.gz HVFNFOPIGGOICC-UHFFFAOYSA-N 0 3 290.323 0.735 20 5 CCBDHN N[C@H](CC(F)F)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000579830380 359050689 /nfs/dbraw/zinc/05/06/89/359050689.db2.gz ZTRKEIWMBHQGJD-SSDOTTSWSA-N 0 3 299.237 0.814 20 5 CCBDHN CN1CCC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000610864184 363623703 /nfs/dbraw/zinc/62/37/03/363623703.db2.gz LXAAXNAGRLHALS-JTQLQIEISA-N 0 3 296.331 0.185 20 5 CCBDHN CNC(=O)c1ccc(N[C@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000589101419 359359074 /nfs/dbraw/zinc/35/90/74/359359074.db2.gz CUDMDLKNJUWCLG-JTQLQIEISA-N 0 3 296.327 0.289 20 5 CCBDHN CCN1CC[C@H]2OCCN(c3c([N+](=O)[O-])ncn3C)[C@H]2C1 ZINC000590142541 359427041 /nfs/dbraw/zinc/42/70/41/359427041.db2.gz STZCQXKAWASOIS-WDEREUQCSA-N 0 3 295.343 0.628 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442914 359465892 /nfs/dbraw/zinc/46/58/92/359465892.db2.gz HRSSFCKSTZJDFA-IONNQARKSA-N 0 3 265.273 0.094 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000590443587 359467082 /nfs/dbraw/zinc/46/70/82/359467082.db2.gz DNJNOVNDSPGMJR-SKDRFNHKSA-N 0 3 276.296 0.766 20 5 CCBDHN Cc1nc(N2C[C@H](C)NC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000591433922 359591496 /nfs/dbraw/zinc/59/14/96/359591496.db2.gz ORDUNSMCLGVIID-YUMQZZPRSA-N 0 3 251.290 0.880 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@@H]([NH3+])C1 ZINC000592382107 359829393 /nfs/dbraw/zinc/82/93/93/359829393.db2.gz IVQVNIHQYDFDCJ-DTORHVGOSA-N 0 3 285.325 0.671 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](C(F)F)C2)c1 ZINC000611180054 363675285 /nfs/dbraw/zinc/67/52/85/363675285.db2.gz QKSAZGSRQIFAIT-WPRPVWTQSA-N 0 3 290.270 0.739 20 5 CCBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC000595109519 360438733 /nfs/dbraw/zinc/43/87/33/360438733.db2.gz VMZYDWAVAZYGJB-UHFFFAOYSA-N 0 3 286.313 0.150 20 5 CCBDHN C[C@H](O)[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000595764913 360645498 /nfs/dbraw/zinc/64/54/98/360645498.db2.gz DDKLFMUFZQNSPQ-VHSXEESVSA-N 0 3 254.290 0.637 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H]3COC[C@H]3C2)c1 ZINC000595830298 360671811 /nfs/dbraw/zinc/67/18/11/360671811.db2.gz JZBWCBIHTYWDHL-WDEREUQCSA-N 0 3 266.301 0.760 20 5 CCBDHN CN(C)[C@]1(CNc2ccc(N)c([N+](=O)[O-])n2)CCSC1 ZINC000596149976 360812302 /nfs/dbraw/zinc/81/23/02/360812302.db2.gz SMPPAVBLMNTVLH-LBPRGKRZSA-N 0 3 297.384 0.843 20 5 CCBDHN O=c1[n-]ccc(NC[C@@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000596256246 360854646 /nfs/dbraw/zinc/85/46/46/360854646.db2.gz CEIMPFPAJTWZHL-JTQLQIEISA-N 0 3 296.327 0.954 20 5 CCBDHN O=c1[n-]ccc(NC[C@@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000596256246 360854652 /nfs/dbraw/zinc/85/46/52/360854652.db2.gz CEIMPFPAJTWZHL-JTQLQIEISA-N 0 3 296.327 0.954 20 5 CCBDHN Nc1ccc(NC[C@H]2CCCN2CCCO)nc1[N+](=O)[O-] ZINC000596258714 360854907 /nfs/dbraw/zinc/85/49/07/360854907.db2.gz NDHKTBIFPSHPPX-SNVBAGLBSA-N 0 3 295.343 0.253 20 5 CCBDHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596453367 360899561 /nfs/dbraw/zinc/89/95/61/360899561.db2.gz KKQGLHKZVYREOB-UHFFFAOYSA-N 0 3 278.312 0.692 20 5 CCBDHN CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598038432 361321458 /nfs/dbraw/zinc/32/14/58/361321458.db2.gz CYISGRGEHRLNNU-SECBINFHSA-N 0 3 281.316 0.874 20 5 CCBDHN CCCN1CC[C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000598343482 361392191 /nfs/dbraw/zinc/39/21/91/361392191.db2.gz WERJXIIRGHLCSD-JTQLQIEISA-N 0 3 295.343 0.851 20 5 CCBDHN COC(=O)N(C)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000496617452 240251889 /nfs/dbraw/zinc/25/18/89/240251889.db2.gz MIDVXNBUAPEBCP-MRVPVSSYSA-N 0 3 262.262 0.673 20 5 CCBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CNCCO1 ZINC000313300080 248998401 /nfs/dbraw/zinc/99/84/01/248998401.db2.gz NNPWVJAUABKFFJ-ACVFHECNSA-N 0 3 291.307 0.713 20 5 CCBDHN C[C@H](O)[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305196139 285170751 /nfs/dbraw/zinc/17/07/51/285170751.db2.gz TZIKRKRNIZLHEJ-GMXVVIOVSA-N 0 3 298.343 0.245 20 5 CCBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000041999153 388864323 /nfs/dbraw/zinc/86/43/23/388864323.db2.gz HRRFPHPWQPDXMD-UHFFFAOYSA-N 0 3 296.327 0.507 20 5 CCBDHN CN1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)C1 ZINC000292751894 388955277 /nfs/dbraw/zinc/95/52/77/388955277.db2.gz JSGSDQZOCXFWDY-CYBMUJFWSA-N 0 3 292.343 0.889 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)[NH3+])c1C ZINC000195295057 389121935 /nfs/dbraw/zinc/12/19/35/389121935.db2.gz GHACFRJUUAQGFG-MRVPVSSYSA-N 0 3 287.341 0.837 20 5 CCBDHN CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000341004223 389179230 /nfs/dbraw/zinc/17/92/30/389179230.db2.gz ANWZLSIRUOGTCO-UWVGGRQHSA-N 0 3 254.290 0.494 20 5 CCBDHN O=C(NCCN1CCCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000159869403 389375354 /nfs/dbraw/zinc/37/53/54/389375354.db2.gz BENDEPYHZMCOGS-UHFFFAOYSA-N 0 3 281.316 0.924 20 5 CCBDHN CN1CC[C@@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000269101314 389402137 /nfs/dbraw/zinc/40/21/37/389402137.db2.gz RXBMEWPFBLBJLI-VHSXEESVSA-N 0 3 292.343 0.888 20 5 CCBDHN COCCCN(C)CCNc1c([N+](=O)[O-])ncn1C ZINC000266202309 389364676 /nfs/dbraw/zinc/36/46/76/389364676.db2.gz DQOUEHNZPPEKAD-UHFFFAOYSA-N 0 3 271.321 0.709 20 5 CCBDHN CS[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1N(C)C ZINC000271998819 389455172 /nfs/dbraw/zinc/45/51/72/389455172.db2.gz HSXPAFYOKGMNHA-MNOVXSKESA-N 0 3 299.400 0.769 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)s1 ZINC000178916615 389628213 /nfs/dbraw/zinc/62/82/13/389628213.db2.gz OVWSLFMBGWVBNX-SSDOTTSWSA-N 0 3 291.354 0.687 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CNCCO2)c(F)c1 ZINC000415097514 389658718 /nfs/dbraw/zinc/65/87/18/389658718.db2.gz SRWPELLCLWYWFT-NSHDSACASA-N 0 3 269.276 0.812 20 5 CCBDHN C[C@@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H]1C ZINC000379465051 389761998 /nfs/dbraw/zinc/76/19/98/389761998.db2.gz HLXAPJWIOXCVAI-IUCAKERBSA-N 0 3 266.301 0.756 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405205816 389813376 /nfs/dbraw/zinc/81/33/76/389813376.db2.gz GAUWHIQFJCLYSN-NWDGAFQWSA-N 0 3 278.312 0.553 20 5 CCBDHN C[C@H]1C[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1C ZINC000408056542 389823406 /nfs/dbraw/zinc/82/34/06/389823406.db2.gz ISHJNHRVNSIONX-VHSXEESVSA-N 0 3 295.343 0.883 20 5 CCBDHN CCc1n[nH]c(C(=O)NCCN2CCCC2)c1[N+](=O)[O-] ZINC000443920988 389887078 /nfs/dbraw/zinc/88/70/78/389887078.db2.gz MHYVCSNRSSDJCF-UHFFFAOYSA-N 0 3 281.316 0.706 20 5 CCBDHN C[C@H](CN1CCCCC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000578587474 390892816 /nfs/dbraw/zinc/89/28/16/390892816.db2.gz XEYLHBVRCASJHE-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN C[C@H](O)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190896095 130159257 /nfs/dbraw/zinc/15/92/57/130159257.db2.gz ZEMOSTUEYDTRSN-MJVIPROJSA-N 0 3 298.339 0.692 20 5 CCBDHN CNCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000237225631 131015342 /nfs/dbraw/zinc/01/53/42/131015342.db2.gz QRGFCRXDAHFDOL-UHFFFAOYSA-N 0 3 252.274 0.342 20 5 CCBDHN Cc1nn(C)c(C(=O)N2C[C@H](C)NC[C@@H]2C)c1[N+](=O)[O-] ZINC000237636347 131049719 /nfs/dbraw/zinc/04/97/19/131049719.db2.gz YLBWGXHZZSIEFC-YUMQZZPRSA-N 0 3 281.316 0.459 20 5 CCBDHN C[C@@H](CO)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245608935 131087337 /nfs/dbraw/zinc/08/73/37/131087337.db2.gz KTQGHCTYKVUGTO-CMPLNLGQSA-N 0 3 284.312 0.647 20 5 CCBDHN COCCN1CCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132275231 397413832 /nfs/dbraw/zinc/41/38/32/397413832.db2.gz FTBHIYPLALQFQB-SECBINFHSA-N 0 3 297.315 0.159 20 5 CCBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356478914 144006275 /nfs/dbraw/zinc/00/62/75/144006275.db2.gz MMMJLMQPJWVYIY-SECBINFHSA-N 0 3 281.316 0.495 20 5 CCBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CCN1C ZINC000357063801 144055515 /nfs/dbraw/zinc/05/55/15/144055515.db2.gz ZNYBJRYQZBTZMB-NXEZZACHSA-N 0 3 295.343 0.883 20 5 CCBDHN CCCN(CCN(C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357928509 144134148 /nfs/dbraw/zinc/13/41/48/144134148.db2.gz WBXZLZGYENNPOS-UHFFFAOYSA-N 0 3 283.332 0.742 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358057202 144146245 /nfs/dbraw/zinc/14/62/45/144146245.db2.gz OUXZMIFFGCUASU-AWEZNQCLSA-N 0 3 293.323 0.700 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@](O)(C3CC3)C2)n1 ZINC000368474193 144227161 /nfs/dbraw/zinc/22/71/61/144227161.db2.gz MZDILESJTTYSFO-GFCCVEGCSA-N 0 3 266.301 0.638 20 5 CCBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](N2CCCC2)C1 ZINC000552141864 286154971 /nfs/dbraw/zinc/15/49/71/286154971.db2.gz FWJSXAYUSXCJBZ-SECBINFHSA-N 0 3 279.300 0.628 20 5 CCBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@H]2C1 ZINC000284860535 196145999 /nfs/dbraw/zinc/14/59/99/196145999.db2.gz FHLBMVTZQPSQCF-SCZZXKLOSA-N 0 3 279.300 0.484 20 5 CCBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285695998 196368997 /nfs/dbraw/zinc/36/89/97/196368997.db2.gz HFLJDHHTJWFVQQ-ONGXEEELSA-N 0 3 293.327 0.874 20 5 CCBDHN NC(=O)CCNCCOc1ccc([N+](=O)[O-])cc1 ZINC000038079467 174089505 /nfs/dbraw/zinc/08/95/05/174089505.db2.gz OMDPCDNBAOUPNA-UHFFFAOYSA-N 0 3 253.258 0.439 20 5 CCBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCNCC1 ZINC000043472939 175053730 /nfs/dbraw/zinc/05/37/30/175053730.db2.gz BBGBKZXOAWQKSG-UHFFFAOYSA-N 0 3 297.286 0.935 20 5 CCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCNC2)c1 ZINC000071397270 176150791 /nfs/dbraw/zinc/15/07/91/176150791.db2.gz VKHLBIDMZOSZNB-SECBINFHSA-N 0 3 285.325 0.625 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(CCO)CC2)c1 ZINC000525783808 262232999 /nfs/dbraw/zinc/23/29/99/262232999.db2.gz ZAKMYIWICYSTRT-CYBMUJFWSA-N 0 3 298.343 0.247 20 5 CCBDHN Cc1c(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451623011 533848303 /nfs/dbraw/zinc/84/83/03/533848303.db2.gz IJHAEPJXCXFVBU-PHIMTYICSA-N 0 3 289.291 0.608 20 5 CCBDHN CCN(CCO)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000183942158 521102185 /nfs/dbraw/zinc/10/21/85/521102185.db2.gz FQGBLGVZAUZKCQ-UHFFFAOYSA-N 0 3 295.339 0.568 20 5 CCBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CNCCO1 ZINC000423987314 534631321 /nfs/dbraw/zinc/63/13/21/534631321.db2.gz HIWFETDAOSGWDF-LBPRGKRZSA-N 0 3 295.295 0.078 20 5 CCBDHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000361591759 528611956 /nfs/dbraw/zinc/61/19/56/528611956.db2.gz QVMSCDXZMUJZPT-JTQLQIEISA-N 0 3 254.290 0.902 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356475824 536375577 /nfs/dbraw/zinc/37/55/77/536375577.db2.gz HLGQUKRPOWHFET-MRVPVSSYSA-N 0 3 267.289 0.152 20 5 CCBDHN C[C@H](CO)N(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000785538945 581412132 /nfs/dbraw/zinc/41/21/32/581412132.db2.gz ZLDJLYJPUTZZFM-SUNKGSAMSA-N 0 3 298.339 0.692 20 5 CCBDHN CN1CCC(ONC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000773551135 581932793 /nfs/dbraw/zinc/93/27/93/581932793.db2.gz TWZPPIGZOUTYFF-UHFFFAOYSA-N 0 3 269.257 0.943 20 5 CCBDHN COc1cc(N[C@H](CO)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000809341695 617207370 /nfs/dbraw/zinc/20/73/70/617207370.db2.gz VVKUGBNGRNDWEF-VIFPVBQESA-N 0 3 299.327 0.946 20 5 CCBDHN CC(C)N1C(=O)CC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000873532552 614311155 /nfs/dbraw/zinc/31/11/55/614311155.db2.gz JTANKSDYHIYODB-BDAKNGLRSA-N 0 3 258.274 0.594 20 5 CCBDHN CC1(C)C[C@H](O)CN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000879622429 614780392 /nfs/dbraw/zinc/78/03/92/614780392.db2.gz JMAWOVTVWPDRSN-LBPRGKRZSA-N 0 3 295.339 0.849 20 5 CCBDHN CN(C)CCONC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000833859624 615908815 /nfs/dbraw/zinc/90/88/15/615908815.db2.gz NKVADHYGXNHFMO-UHFFFAOYSA-N 0 3 297.267 0.547 20 5 CCBDHN CN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000930620393 616188524 /nfs/dbraw/zinc/18/85/24/616188524.db2.gz MTPYBWFIFXWGAB-SNVBAGLBSA-N 0 3 293.327 0.970 20 5 CCBDHN CN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000930620392 616205730 /nfs/dbraw/zinc/20/57/30/616205730.db2.gz MTPYBWFIFXWGAB-JTQLQIEISA-N 0 3 293.327 0.970 20 5 CCBDHN COC[C@H](CCO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843082299 616649334 /nfs/dbraw/zinc/64/93/34/616649334.db2.gz BQDLQBMMXVPGCZ-AAEUAGOBSA-N 0 3 284.312 0.615 20 5 CCBDHN Cc1sc(=O)n(CC(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813112848 624662708 /nfs/dbraw/zinc/66/27/08/624662708.db2.gz UVETXVVZJPSYIV-ZCFIWIBFSA-N 0 3 274.298 0.735 20 5 CCBDHN Cc1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC001022064145 624869961 /nfs/dbraw/zinc/86/99/61/624869961.db2.gz YHBWLSGJAAYUOJ-RBLKWDMZSA-N 0 3 294.311 0.385 20 5 CCBDHN C[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000261681458 631436581 /nfs/dbraw/zinc/43/65/81/631436581.db2.gz HOWAYPYVGVFXPG-ZCFIWIBFSA-N 0 3 279.343 0.543 20 5 CCBDHN C[C@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000895249112 632034619 /nfs/dbraw/zinc/03/46/19/632034619.db2.gz OSYMCOZSNXHPOB-GXSJLCMTSA-N 0 3 295.343 0.742 20 5 CCBDHN O=C(NCCN1CCc2ccccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839506909 640316382 /nfs/dbraw/zinc/31/63/82/640316382.db2.gz FDIWGAOVEVCOMX-ZIAGYGMSSA-N 0 3 289.335 0.826 20 5 CCBDHN CC(COC(=O)c1ccc2c(c1)nnn2C)[N+](=O)[O-] ZINC000813103342 641022052 /nfs/dbraw/zinc/02/20/52/641022052.db2.gz OSVNKNNZNLFTJV-SSDOTTSWSA-N 0 3 264.241 0.790 20 5 CCBDHN Cc1cn2ccnc(C(=O)OCC(C)[N+](=O)[O-])c2n1 ZINC000813105518 641022255 /nfs/dbraw/zinc/02/22/55/641022255.db2.gz NUIVXCIWBMFBMA-QMMMGPOBSA-N 0 3 264.241 0.860 20 5 CCBDHN CC(COC(=O)C[C@@H](NC(N)=O)c1ccccc1)[N+](=O)[O-] ZINC000813105292 641022622 /nfs/dbraw/zinc/02/26/22/641022622.db2.gz XMLOOMHWHCPDKZ-GXSJLCMTSA-N 0 3 295.295 0.995 20 5 CCBDHN CC(COC(=O)c1cn(CC(=O)C(C)(C)C)nn1)[N+](=O)[O-] ZINC000813107292 641023132 /nfs/dbraw/zinc/02/31/32/641023132.db2.gz OPIBIBYVOSKSIF-MRVPVSSYSA-N 0 3 298.299 0.715 20 5 CCBDHN CC(COC(=O)c1cnn2cccnc12)[N+](=O)[O-] ZINC000813108451 641023636 /nfs/dbraw/zinc/02/36/36/641023636.db2.gz GCGBSGZGIWIJJG-SSDOTTSWSA-N 0 3 250.214 0.551 20 5 CCBDHN CC(COC(=O)c1ccc2n[nH]c(=O)n2c1)[N+](=O)[O-] ZINC000813112725 641024591 /nfs/dbraw/zinc/02/45/91/641024591.db2.gz KBPUBJGPDHQHOG-LURJTMIESA-N 0 3 266.213 0.257 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1 ZINC000823089811 641736596 /nfs/dbraw/zinc/73/65/96/641736596.db2.gz ZBAZXZXEXIXAJM-QYNIQEEDSA-N 0 3 276.256 0.801 20 5 CCBDHN C[C@H]1CCCN1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848373296 643629217 /nfs/dbraw/zinc/62/92/17/643629217.db2.gz BSLUHBWVUBPNOP-VIFPVBQESA-N 0 3 293.327 0.786 20 5 CCBDHN CC(COC(=O)c1nnn(C(C)(C)C)n1)[N+](=O)[O-] ZINC000851036981 643828639 /nfs/dbraw/zinc/82/86/39/643828639.db2.gz OZBNVKJZUULLGQ-LURJTMIESA-N 0 3 257.250 0.250 20 5 CCBDHN O=C1OC[C@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000860165747 644778352 /nfs/dbraw/zinc/77/83/52/644778352.db2.gz YWTFGYWHSLJSQX-RTXFEEFZSA-N 0 3 292.291 0.733 20 5 CCBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1C ZINC000928454688 648640637 /nfs/dbraw/zinc/64/06/37/648640637.db2.gz RKAFQCKHSCLRSR-DTWKUNHWSA-N 0 3 266.301 0.756 20 5 CCBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(N)n1)[C@@H]1CNCCO1 ZINC001159496102 801819718 /nfs/dbraw/zinc/81/97/18/801819718.db2.gz BPJWIUDZCSANCI-CBAPKCEASA-N 0 3 267.289 0.361 20 5 CCBDHN CN(c1nc(Cl)ccc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164296763 802711470 /nfs/dbraw/zinc/71/14/70/802711470.db2.gz OYOSGANSDBFUNR-UHFFFAOYSA-N 0 3 294.720 0.368 20 5 CCBDHN C=Cc1cnc(=O)[n-]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227714155 805383935 /nfs/dbraw/zinc/38/39/35/805383935.db2.gz SORSSRPLTRSUAF-SNVBAGLBSA-O 0 3 282.320 0.188 20 5 CCBDHN Cc1cc(C(=O)NCCN(C)CCO)cc([N+](=O)[O-])c1 ZINC000899732821 815221094 /nfs/dbraw/zinc/22/10/94/815221094.db2.gz OESAIRQPNNRPOY-UHFFFAOYSA-N 0 3 281.312 0.557 20 5 CCBDHN O=C(NCCNC/C(Cl)=C\Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001126936881 815324633 /nfs/dbraw/zinc/32/46/33/815324633.db2.gz VUGIDLDECXUTPT-CTDODENGSA-N 0 3 282.127 0.676 20 5 CCBDHN Cc1c(C)c(N(C)S(=O)(=O)CCN)ncc1[N+](=O)[O-] ZINC001156236781 836068423 /nfs/dbraw/zinc/06/84/23/836068423.db2.gz PYKRFJYKPGACEK-UHFFFAOYSA-N 0 3 288.329 0.331 20 5 CCBDHN NCc1cnnn1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001169309659 836207918 /nfs/dbraw/zinc/20/79/18/836207918.db2.gz HYHJBVUKKDILHY-UHFFFAOYSA-N 0 3 299.088 0.792 20 5 CCBDHN Cc1c[n+]([O-])c(N[C@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170561646 838103783 /nfs/dbraw/zinc/10/37/83/838103783.db2.gz GCTWUGGJOYIAMY-MWLCHTKSSA-N 0 3 282.300 0.325 20 5 CCBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1CNCCO1 ZINC001159496272 839312448 /nfs/dbraw/zinc/31/24/48/839312448.db2.gz IRHIZVILPDLMAF-GMSGAONNSA-N 0 3 270.264 0.918 20 5 CCBDHN C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C1=CCN(C)CC1 ZINC001325097520 913208401 /nfs/dbraw/zinc/20/84/01/913208401.db2.gz YQHURAVTGHAVCX-SECBINFHSA-N 0 3 293.327 0.709 20 5 CCBDHN Cc1cccnc1CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001480863259 891409171 /nfs/dbraw/zinc/40/91/71/891409171.db2.gz SMFHERFSZZBJFI-DGCLKSJQSA-N 0 3 292.339 0.603 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC2CCN(C3CC3)CC2)n1 ZINC001336535546 920820619 /nfs/dbraw/zinc/82/06/19/920820619.db2.gz XXEDLSLGBJSTIL-UHFFFAOYSA-N 0 3 293.327 0.685 20 5 CCBDHN Cc1c(CNC(=O)[C@H]2CNCCN2C)cccc1[N+](=O)[O-] ZINC001340372995 922071768 /nfs/dbraw/zinc/07/17/68/922071768.db2.gz FEIOYJRKKQYHDE-CYBMUJFWSA-N 0 3 292.339 0.423 20 5 CCBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1COC2(CNC2)C1 ZINC001342216382 922863978 /nfs/dbraw/zinc/86/39/78/922863978.db2.gz VYWMIKQEYSFWMZ-NSHDSACASA-N 0 3 291.307 0.384 20 5 CCBDHN O=C(N[C@H]1COC2(CNC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001342215549 922864031 /nfs/dbraw/zinc/86/40/31/922864031.db2.gz MINKGRSGZOEACI-MRVPVSSYSA-N 0 3 295.270 0.595 20 5 CCBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001342553324 923000856 /nfs/dbraw/zinc/00/08/56/923000856.db2.gz JITQHBUTKYCBRJ-VWYCJHECSA-N 0 3 295.343 0.779 20 5 CCBDHN C[C@@H](C[N+](=O)[O-])OC(=O)C1CCCN(C2CC2)C1=O ZINC001346158370 924090705 /nfs/dbraw/zinc/09/07/05/924090705.db2.gz JGAJPBSOPWCEFL-WPRPVWTQSA-N 0 3 270.285 0.596 20 5 CCBDHN O=[N+]([O-])CCNC[C@@]1(CO)CCc2ccccc21 ZINC001346298856 924150486 /nfs/dbraw/zinc/15/04/86/924150486.db2.gz JFLPPMDZGPRVCF-CYBMUJFWSA-N 0 3 250.298 0.729 20 5 CCBDHN C[C@@H](O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090565241 349438845 /nfs/dbraw/zinc/43/88/45/349438845.db2.gz KQMZECQINPMIBU-NEPJUHHUSA-N 0 3 295.339 0.849 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]3CC[C@@H](O)[C@@H]32)n1 ZINC000599681389 361784088 /nfs/dbraw/zinc/78/40/88/361784088.db2.gz PNRZJNHBDVHWOB-HOSYDEDBSA-N 0 3 266.301 0.637 20 5 CCBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1COCCN1 ZINC000600678162 362031002 /nfs/dbraw/zinc/03/10/02/362031002.db2.gz MNQACRRGLHRUJE-NSHDSACASA-N 0 3 251.286 0.673 20 5 CCBDHN Cc1nn(C)c(NC[C@@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000358333002 232081909 /nfs/dbraw/zinc/08/19/09/232081909.db2.gz FDGIERCPGIBZDW-NSHDSACASA-N 0 3 269.305 0.115 20 5 CCBDHN Cn1cc(CN2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000602452430 362624403 /nfs/dbraw/zinc/62/44/03/362624403.db2.gz IOKGYKNGULALHP-LBPRGKRZSA-N 0 3 279.344 0.998 20 5 CCBDHN C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000602809413 362810156 /nfs/dbraw/zinc/81/01/56/362810156.db2.gz HFHJSHNYBUCSKZ-BDAKNGLRSA-N 0 3 254.290 0.843 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC23CCOCC3)c1 ZINC000618060342 365881158 /nfs/dbraw/zinc/88/11/58/365881158.db2.gz MRBRYWSZLAIXLM-LBPRGKRZSA-N 0 3 296.327 0.407 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1C ZINC000262405782 137042709 /nfs/dbraw/zinc/04/27/09/137042709.db2.gz QBWJYIVBFKSVLH-BDAKNGLRSA-N 0 3 278.312 0.999 20 5 CCBDHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262475619 137044553 /nfs/dbraw/zinc/04/45/53/137044553.db2.gz PZXOXUBKDRVANG-SECBINFHSA-N 0 3 287.341 0.871 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343529162 137139985 /nfs/dbraw/zinc/13/99/85/137139985.db2.gz VSYSILHHZPHGIM-PWSUYJOCSA-N 0 3 295.343 0.780 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CC[C@@H](O)[C@H]3C2)n1 ZINC000344028072 137174501 /nfs/dbraw/zinc/17/45/01/137174501.db2.gz MFPMUTFYIRWIRD-GARJFASQSA-N 0 3 266.301 0.494 20 5 CCBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000042355174 348276103 /nfs/dbraw/zinc/27/61/03/348276103.db2.gz XHFFBMPSVOISAW-UHFFFAOYSA-N 0 3 279.296 0.796 20 5 CCBDHN C[C@@H]1C[C@H](O)CN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000412032192 233013188 /nfs/dbraw/zinc/01/31/88/233013188.db2.gz HJWKSZDUSOOEQW-PWSUYJOCSA-N 0 3 281.312 0.459 20 5 CCBDHN Cc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000051575950 348490770 /nfs/dbraw/zinc/49/07/70/348490770.db2.gz WLMFQBKUBANDGC-CYBMUJFWSA-N 0 3 291.311 0.645 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](CO)C1 ZINC000051887568 348499492 /nfs/dbraw/zinc/49/94/92/348499492.db2.gz SQWBGSHEEXNNDU-JTQLQIEISA-N 0 3 254.290 0.414 20 5 CCBDHN COc1cc(C(=O)NCCN(C)C)c([N+](=O)[O-])cc1OC ZINC000082250955 349292714 /nfs/dbraw/zinc/29/27/14/349292714.db2.gz FQBPNVHGMAEZSO-UHFFFAOYSA-N 0 3 297.311 0.903 20 5 CCBDHN CNC(=O)CCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090589275 180010609 /nfs/dbraw/zinc/01/06/09/180010609.db2.gz SMSQQGMTQCZDBJ-UHFFFAOYSA-N 0 3 296.327 0.215 20 5 CCBDHN CN(C)CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000130551984 350240729 /nfs/dbraw/zinc/24/07/29/350240729.db2.gz LPSQKSNRSKIXTC-UHFFFAOYSA-N 0 3 295.295 0.464 20 5 CCBDHN C[C@H](O)CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000131243136 350269427 /nfs/dbraw/zinc/26/94/27/350269427.db2.gz BXAHBKYFTGILKU-JQWIXIFHSA-N 0 3 284.312 0.647 20 5 CCBDHN COc1ccc(CN[C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000135723408 350407402 /nfs/dbraw/zinc/40/74/02/350407402.db2.gz FXYJCLZAXVLCMA-MRVPVSSYSA-N 0 3 267.285 0.957 20 5 CCBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000154021556 350572324 /nfs/dbraw/zinc/57/23/24/350572324.db2.gz MIMSDZIINIPTMQ-VIFPVBQESA-N 0 3 279.300 0.532 20 5 CCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CCCC2)C1 ZINC000171442218 350909065 /nfs/dbraw/zinc/90/90/65/350909065.db2.gz RDYZXFNKTRRPHY-LLVKDONJSA-N 0 3 293.327 0.488 20 5 CCBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCO1 ZINC000187804760 351556960 /nfs/dbraw/zinc/55/69/60/351556960.db2.gz ZQZLTDFABYAJBT-NEPJUHHUSA-N 0 3 284.316 0.263 20 5 CCBDHN CNCCN(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122008698 187010084 /nfs/dbraw/zinc/01/00/84/187010084.db2.gz SVWWCRMKMBFXIG-UHFFFAOYSA-N 0 3 291.304 0.574 20 5 CCBDHN COC[C@@H](C)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123511965 187095906 /nfs/dbraw/zinc/09/59/06/187095906.db2.gz XVNRHMMTNZZZPC-OASPWFOLSA-N 0 3 284.312 0.614 20 5 CCBDHN CN(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000230695881 352118050 /nfs/dbraw/zinc/11/80/50/352118050.db2.gz VILRKZDUPPFQAZ-MRVPVSSYSA-N 0 3 279.300 0.348 20 5 CCBDHN CC(C)(C(=O)N1CCCNCC1)n1cc([N+](=O)[O-])cn1 ZINC000236689818 352206332 /nfs/dbraw/zinc/20/63/32/352206332.db2.gz QEDKZZOQKHBMFG-UHFFFAOYSA-N 0 3 281.316 0.348 20 5 CCBDHN C[C@]1(O)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437798 352440623 /nfs/dbraw/zinc/44/06/23/352440623.db2.gz BNMIUOLIIBADPF-RISCZKNCSA-N 0 3 296.323 0.791 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1O ZINC000249549518 352495845 /nfs/dbraw/zinc/49/58/45/352495845.db2.gz HJBQLUUNSBUOHG-MWLCHTKSSA-N 0 3 254.290 0.494 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000266652501 352714554 /nfs/dbraw/zinc/71/45/54/352714554.db2.gz AERALFLGKKHVHA-ZJUUUORDSA-N 0 3 293.327 0.935 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000266652501 352714555 /nfs/dbraw/zinc/71/45/55/352714555.db2.gz AERALFLGKKHVHA-ZJUUUORDSA-N 0 3 293.327 0.935 20 5 CCBDHN COC[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267085520 352743512 /nfs/dbraw/zinc/74/35/12/352743512.db2.gz OEXXOOOGISPZDP-SNVBAGLBSA-N 0 3 254.290 0.760 20 5 CCBDHN CN(C)C[C@@H]1CCCN1c1c([N+](=O)[O-])ncn1C ZINC000268195475 352816484 /nfs/dbraw/zinc/81/64/84/352816484.db2.gz PXTCOHDQEUTJBH-VIFPVBQESA-N 0 3 253.306 0.859 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000268219602 352817243 /nfs/dbraw/zinc/81/72/43/352817243.db2.gz LSVWXGBEHFLBAK-JOYOIKCWSA-N 0 3 293.327 0.390 20 5 CCBDHN CS[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000272088579 353035105 /nfs/dbraw/zinc/03/51/05/353035105.db2.gz XPBSVZVMAPDUAU-NWDGAFQWSA-N 0 3 299.400 0.769 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000152853322 188048151 /nfs/dbraw/zinc/04/81/51/188048151.db2.gz VHLABQFXOFFHGW-ZDUSSCGKSA-N 0 3 281.312 0.637 20 5 CCBDHN CCN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000286325459 353577988 /nfs/dbraw/zinc/57/79/88/353577988.db2.gz DNVWULYFQWFDII-LBPRGKRZSA-N 0 3 294.355 0.783 20 5 CCBDHN CN(CCC(N)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286662354 353602550 /nfs/dbraw/zinc/60/25/50/353602550.db2.gz ZZXNUXOAORZYSA-LLVKDONJSA-N 0 3 267.285 0.435 20 5 CCBDHN CN1CCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290628101 353738777 /nfs/dbraw/zinc/73/87/77/353738777.db2.gz MESCCNUARSTOQZ-MRVPVSSYSA-N 0 3 279.300 0.595 20 5 CCBDHN CN1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000299210982 353998448 /nfs/dbraw/zinc/99/84/48/353998448.db2.gz CYZKCEBQGJSCHX-UHFFFAOYSA-N 0 3 281.316 0.346 20 5 CCBDHN Cc1ccnc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000328293937 354230796 /nfs/dbraw/zinc/23/07/96/354230796.db2.gz SFXOYNKJDBPEPK-CYBMUJFWSA-N 0 3 291.311 0.645 20 5 CCBDHN C[C@@H]1CCC[C@H](C)N1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000341112619 355608598 /nfs/dbraw/zinc/60/85/98/355608598.db2.gz XZGOBJTZBABYQE-AOOOYVTPSA-N 0 3 294.359 0.894 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144449 358498084 /nfs/dbraw/zinc/49/80/84/358498084.db2.gz MCGFAIGOXWIJOS-SECBINFHSA-N 0 3 264.285 0.814 20 5 CCBDHN CCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000352679369 356051662 /nfs/dbraw/zinc/05/16/62/356051662.db2.gz ZJGZIAOFPUYEQC-YPMHNXCESA-N 0 3 297.359 0.178 20 5 CCBDHN CC(C)[C@H]1CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353024979 356141273 /nfs/dbraw/zinc/14/12/73/356141273.db2.gz JPBMITMUWPTSMG-VXGBXAGGSA-N 0 3 268.317 0.883 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)CC[C@@H]1C ZINC000354009257 356329756 /nfs/dbraw/zinc/32/97/56/356329756.db2.gz VDPMOPBLZAIGLI-JTQLQIEISA-N 0 3 295.343 0.652 20 5 CCBDHN CN(C)CCOC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000354571414 356441963 /nfs/dbraw/zinc/44/19/63/356441963.db2.gz PQIXDWZWNRHBPB-UHFFFAOYSA-N 0 3 295.343 0.932 20 5 CCBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356172247 356715442 /nfs/dbraw/zinc/71/54/42/356715442.db2.gz TXQMYHZLHCUDAV-UHFFFAOYSA-N 0 3 295.343 0.790 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C ZINC000408072201 357903479 /nfs/dbraw/zinc/90/34/79/357903479.db2.gz NAOGARXFCCYALM-SFYZADRCSA-N 0 3 267.289 0.530 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3CCC[C@@H]32)c1 ZINC000610762762 363610334 /nfs/dbraw/zinc/61/03/34/363610334.db2.gz SIPCBEVESLRCRS-WCQGTBRESA-N 0 3 266.301 0.637 20 5 CCBDHN N[C@@H]1C[C@H]2CN(c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000568415439 358674089 /nfs/dbraw/zinc/67/40/89/358674089.db2.gz UDFVYWOKDWUUQQ-VHSXEESVSA-N 0 3 276.296 0.343 20 5 CCBDHN CCN1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611091736 363659026 /nfs/dbraw/zinc/65/90/26/363659026.db2.gz FLDQKNWQEQEZHJ-LLVKDONJSA-N 0 3 267.333 0.817 20 5 CCBDHN CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])nc3)[C@H]2C1 ZINC000590702203 359508939 /nfs/dbraw/zinc/50/89/39/359508939.db2.gz UMIOCKMPSYKMRU-RYUDHWBXSA-N 0 3 278.312 0.899 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCOC2)c1 ZINC000591757100 359654014 /nfs/dbraw/zinc/65/40/14/359654014.db2.gz ZMHUJXDEQWKEDC-JQWIXIFHSA-N 0 3 282.296 0.713 20 5 CCBDHN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000592382622 359829191 /nfs/dbraw/zinc/82/91/91/359829191.db2.gz ZHOUATIMEZOXJW-OCAPTIKFSA-N 0 3 271.298 0.363 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCNCC1(C)C ZINC000592473391 359849490 /nfs/dbraw/zinc/84/94/90/359849490.db2.gz CZDNFOJFROMNGH-UHFFFAOYSA-N 0 3 267.289 0.152 20 5 CCBDHN CC(C)[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1 ZINC000592543807 359880453 /nfs/dbraw/zinc/88/04/53/359880453.db2.gz MNXVWYKLUKAXOG-SNVBAGLBSA-N 0 3 281.316 0.248 20 5 CCBDHN N[C@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000594694872 360360549 /nfs/dbraw/zinc/36/05/49/360360549.db2.gz WYDTXXUAWPNISQ-YUMQZZPRSA-N 0 3 282.325 0.405 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595261324 360464216 /nfs/dbraw/zinc/46/42/16/360464216.db2.gz WFYIZVMODSYPNN-RKDXNWHRSA-N 0 3 270.264 0.445 20 5 CCBDHN C[C@]12COC[C@H]1CN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595759449 360644745 /nfs/dbraw/zinc/64/47/45/360644745.db2.gz QGJKFGZIACLKEF-PWSUYJOCSA-N 0 3 266.301 0.760 20 5 CCBDHN Cc1ccc(C(=O)N2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000596098744 360794476 /nfs/dbraw/zinc/79/44/76/360794476.db2.gz VBSPXVQRLMGUJC-UHFFFAOYSA-N 0 3 291.307 0.718 20 5 CCBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596243364 360849776 /nfs/dbraw/zinc/84/97/76/360849776.db2.gz KJMHTEPPBLOXRC-SECBINFHSA-N 0 3 282.300 0.028 20 5 CCBDHN CN(C)CCN(CC(=O)N(C)C)c1ncccc1[N+](=O)[O-] ZINC000596463054 360902200 /nfs/dbraw/zinc/90/22/00/360902200.db2.gz PCTTXGPLYYVEBP-UHFFFAOYSA-N 0 3 295.343 0.446 20 5 CCBDHN COc1cc(C(=O)N[C@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000597652438 361173645 /nfs/dbraw/zinc/17/36/45/361173645.db2.gz BTWDNYABQFLLTA-JTQLQIEISA-N 0 3 297.311 0.256 20 5 CCBDHN CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCN(CC)C1 ZINC000598040702 361320649 /nfs/dbraw/zinc/32/06/49/361320649.db2.gz QSVIGAGWORLUMV-JTQLQIEISA-N 0 3 295.343 0.885 20 5 CCBDHN CN(CC1CN(C)C1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598161968 361346281 /nfs/dbraw/zinc/34/62/81/361346281.db2.gz FDLMCJSHQCIPCT-UHFFFAOYSA-N 0 3 252.274 0.557 20 5 CCBDHN CN(CC1C[NH+](C)C1)C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000598161968 361346284 /nfs/dbraw/zinc/34/62/84/361346284.db2.gz FDLMCJSHQCIPCT-UHFFFAOYSA-N 0 3 252.274 0.557 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC(C)(C)CN1CCCC1 ZINC000598741103 361505073 /nfs/dbraw/zinc/50/50/73/361505073.db2.gz YXGXPGKRFGHAMG-UHFFFAOYSA-N 0 3 295.343 0.933 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1(N(C)C)CCC1 ZINC000275806273 193133580 /nfs/dbraw/zinc/13/35/80/193133580.db2.gz CZOOFNCOAUEVJM-UHFFFAOYSA-N 0 3 295.343 0.700 20 5 CCBDHN Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000507143480 241177464 /nfs/dbraw/zinc/17/74/64/241177464.db2.gz MYDLATZNRPVSRB-QMMMGPOBSA-N 0 3 292.299 0.889 20 5 CCBDHN Cc1n[nH]c(C(=O)NCC2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC000331955276 204333808 /nfs/dbraw/zinc/33/38/08/204333808.db2.gz JFWSJXWOFLLCFH-UHFFFAOYSA-N 0 3 281.316 0.840 20 5 CCBDHN N[C@H]1C[C@@H]2CN(c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000568415440 291593582 /nfs/dbraw/zinc/59/35/82/291593582.db2.gz UDFVYWOKDWUUQQ-ZJUUUORDSA-N 0 3 276.296 0.343 20 5 CCBDHN CN1CC[C@@]2(CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000515534210 249138901 /nfs/dbraw/zinc/13/89/01/249138901.db2.gz RVYWGYPSDJONDS-CYBMUJFWSA-N 0 3 293.327 0.346 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCC[C@H]1O ZINC000246746985 285031378 /nfs/dbraw/zinc/03/13/78/285031378.db2.gz OLRGEPYIUYZVGP-GHMZBOCLSA-N 0 3 268.317 0.884 20 5 CCBDHN CN1CCC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000520826226 285275372 /nfs/dbraw/zinc/27/53/72/285275372.db2.gz GXFKMAIRKDLQLM-NSHDSACASA-N 0 3 295.343 0.639 20 5 CCBDHN CCN(CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000183977152 388767364 /nfs/dbraw/zinc/76/73/64/388767364.db2.gz QIRIRBANVYYKGF-UHFFFAOYSA-N 0 3 296.327 0.221 20 5 CCBDHN Cc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000286065896 388830956 /nfs/dbraw/zinc/83/09/56/388830956.db2.gz SAKREXGAZDWHSH-UHFFFAOYSA-N 0 3 264.245 0.253 20 5 CCBDHN O=[N+]([O-])c1cnccc1NC[C@@H](O)CN1CCCCC1 ZINC000340150201 389154095 /nfs/dbraw/zinc/15/40/95/389154095.db2.gz RUZKHOCITMMTHR-LLVKDONJSA-N 0 3 280.328 0.670 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@@H](C)N(C)C)c1 ZINC000358858685 389161313 /nfs/dbraw/zinc/16/13/13/389161313.db2.gz IDTURSHSFBEKNW-MRVPVSSYSA-N 0 3 283.284 0.493 20 5 CCBDHN CCN1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000264669591 389343275 /nfs/dbraw/zinc/34/32/75/389343275.db2.gz UCJUHIWFHWDBNU-UHFFFAOYSA-N 0 3 293.327 0.621 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCNC(C)(C)C1 ZINC000175420630 389541434 /nfs/dbraw/zinc/54/14/34/389541434.db2.gz SMLMHSZBWCXEPX-UHFFFAOYSA-N 0 3 281.316 0.310 20 5 CCBDHN COC(=O)c1cnc(N2CC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000276910290 389552671 /nfs/dbraw/zinc/55/26/71/389552671.db2.gz OYHPYGXRYOENPW-JTQLQIEISA-N 0 3 294.311 0.917 20 5 CCBDHN COC[C@@H](NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCCO1 ZINC000434792570 389946571 /nfs/dbraw/zinc/94/65/71/389946571.db2.gz HPTUAWTUIMAGSK-VXGBXAGGSA-N 0 3 284.316 0.575 20 5 CCBDHN CNCCN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000440848965 390046048 /nfs/dbraw/zinc/04/60/48/390046048.db2.gz PXTBZYZROSZYMA-UHFFFAOYSA-N 0 3 287.341 0.576 20 5 CCBDHN CN(C)CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420587585 390014639 /nfs/dbraw/zinc/01/46/39/390014639.db2.gz PLKHVFWIEJIHMW-UHFFFAOYSA-N 0 3 252.274 0.667 20 5 CCBDHN C[C@H]1CCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000524775953 390654282 /nfs/dbraw/zinc/65/42/82/390654282.db2.gz FRVNAABZCCHMPS-JTQLQIEISA-N 0 3 281.316 0.249 20 5 CCBDHN C[C@@H]1CCN(CC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000572495308 390786216 /nfs/dbraw/zinc/78/62/16/390786216.db2.gz MKVONBPNHSYMNP-SNVBAGLBSA-N 0 3 281.316 0.249 20 5 CCBDHN COCCCN(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000189870671 130033995 /nfs/dbraw/zinc/03/39/95/130033995.db2.gz KFABNIXCPKLZHX-UHFFFAOYSA-N 0 3 272.305 0.122 20 5 CCBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]CC[NH3+])cc1[N+](=O)[O-] ZINC000237603876 131046373 /nfs/dbraw/zinc/04/63/73/131046373.db2.gz GABXHQJRSOJVDQ-UHFFFAOYSA-N 0 3 293.732 0.794 20 5 CCBDHN C[C@H]1NCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000262727358 131256368 /nfs/dbraw/zinc/25/63/68/131256368.db2.gz AQLBTNWASHRJHM-BDAKNGLRSA-N 0 3 267.289 0.000 20 5 CCBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N(C)C1CC1 ZINC000263914739 131359345 /nfs/dbraw/zinc/35/93/45/131359345.db2.gz PAXZWDHHNFSHIB-QMMMGPOBSA-N 0 3 293.327 0.983 20 5 CCBDHN CN1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000263950224 131367840 /nfs/dbraw/zinc/36/78/40/131367840.db2.gz IUZJHFYRKRDRIQ-ZETCQYMHSA-N 0 3 252.278 0.473 20 5 CCBDHN C[C@@H]1[C@@H](C)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000357005680 144049850 /nfs/dbraw/zinc/04/98/50/144049850.db2.gz RLXCSGSKOBEDRR-NQBHXWOUSA-N 0 3 297.359 0.177 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000358063896 144148421 /nfs/dbraw/zinc/14/84/21/144148421.db2.gz JTBZCVTVESCJLX-CQSZACIVSA-N 0 3 293.323 0.320 20 5 CCBDHN Cc1n[nH]c(C(=O)NCCN2CCCC2)c1[N+](=O)[O-] ZINC000358707774 144174270 /nfs/dbraw/zinc/17/42/70/144174270.db2.gz MKTZRXOBGTWRJD-UHFFFAOYSA-N 0 3 267.289 0.452 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN2CCCC[C@@H]2C1 ZINC000371880633 144346908 /nfs/dbraw/zinc/34/69/08/144346908.db2.gz YRTYGCKDTOSLJQ-LLVKDONJSA-N 0 3 279.344 0.998 20 5 CCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCCC1 ZINC000548180945 286014626 /nfs/dbraw/zinc/01/46/26/286014626.db2.gz ZNOZVEUTKZDZSY-VIFPVBQESA-N 0 3 281.316 0.542 20 5 CCBDHN CN1CC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548386125 286031776 /nfs/dbraw/zinc/03/17/76/286031776.db2.gz DQOZYGXSVCULAZ-MRVPVSSYSA-N 0 3 279.300 0.084 20 5 CCBDHN CCN1CCCC[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548942081 286081132 /nfs/dbraw/zinc/08/11/32/286081132.db2.gz WLNABJBZYRIVKZ-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN COC[C@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285056998 196186957 /nfs/dbraw/zinc/18/69/57/196186957.db2.gz IRKKDGIKGCUYSR-WCBMZHEXSA-N 0 3 269.301 0.835 20 5 CCBDHN CO[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000285394687 196271881 /nfs/dbraw/zinc/27/18/81/196271881.db2.gz OIBFTIIOMPUAAE-JGZJWPJOSA-N 0 3 254.290 0.901 20 5 CCBDHN O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)cn1 ZINC000071349712 176133329 /nfs/dbraw/zinc/13/33/29/176133329.db2.gz MSCOHGVSRZZWFN-UHFFFAOYSA-N 0 3 266.301 0.494 20 5 CCBDHN CN(CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000078320835 177332938 /nfs/dbraw/zinc/33/29/38/177332938.db2.gz DRAPGNXYAXKSGE-LLVKDONJSA-N 0 3 270.285 0.259 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2C[C@H](O)[C@H](CO)C2)cc1 ZINC000317379557 260206657 /nfs/dbraw/zinc/20/66/57/260206657.db2.gz HIFWOLIHUPOQGN-AAEUAGOBSA-N 0 3 266.297 0.422 20 5 CCBDHN CN(C)C1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000419010300 273791944 /nfs/dbraw/zinc/79/19/44/273791944.db2.gz PJZUCRADPNKWTQ-UHFFFAOYSA-N 0 3 279.300 0.595 20 5 CCBDHN CCN(CCO)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000183967497 276132845 /nfs/dbraw/zinc/13/28/45/276132845.db2.gz UBMRAQAUCNWVAQ-UHFFFAOYSA-N 0 3 295.339 0.947 20 5 CCBDHN C[C@]1(F)CNCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000570944040 327684170 /nfs/dbraw/zinc/68/41/70/327684170.db2.gz LZDYKZVWNDXQME-JTQLQIEISA-N 0 3 255.253 0.523 20 5 CCBDHN Cc1c(CNCCC(=O)NC(N)=O)cccc1[N+](=O)[O-] ZINC000583140227 329320765 /nfs/dbraw/zinc/32/07/65/329320765.db2.gz UILFBSRWSCQTLV-UHFFFAOYSA-N 0 3 280.284 0.578 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000553792360 334398976 /nfs/dbraw/zinc/39/89/76/334398976.db2.gz IPFBABCQQOFHHM-QMMMGPOBSA-N 0 3 254.290 0.613 20 5 CCBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000449670484 534813141 /nfs/dbraw/zinc/81/31/41/534813141.db2.gz ZXKUNDDJZBNRMR-ZETCQYMHSA-N 0 3 274.227 0.650 20 5 CCBDHN NC(=O)C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000367982126 526905988 /nfs/dbraw/zinc/90/59/88/526905988.db2.gz HEELZKGVZINUPQ-GXFFZTMASA-N 0 3 293.323 0.826 20 5 CCBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356488112 535488616 /nfs/dbraw/zinc/48/86/16/535488616.db2.gz XUZZVZFOXNQMTM-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CN2CCC1CC2 ZINC000347957018 536012356 /nfs/dbraw/zinc/01/23/56/536012356.db2.gz UNOWUMXVSMIAIV-GFCCVEGCSA-N 0 3 293.327 0.344 20 5 CCBDHN COC1(C)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000342147550 536563562 /nfs/dbraw/zinc/56/35/62/536563562.db2.gz FUOVDFOOKSERJW-LBPRGKRZSA-N 0 3 298.343 0.653 20 5 CCBDHN CN1CCC[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000778541423 581159234 /nfs/dbraw/zinc/15/92/34/581159234.db2.gz FAQIPZIGWZLSHU-QWHCGFSZSA-N 0 3 293.323 0.839 20 5 CCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1C ZINC000761078510 581886837 /nfs/dbraw/zinc/88/68/37/581886837.db2.gz XCDDPHHYFKPTLP-JTQLQIEISA-N 0 3 253.306 0.427 20 5 CCBDHN CN1CCC(ONC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000773548445 581932931 /nfs/dbraw/zinc/93/29/31/581932931.db2.gz BQNPIMXGHONKQP-UHFFFAOYSA-N 0 3 294.311 0.933 20 5 CCBDHN CNC(=O)C1(NCCn2ccc([N+](=O)[O-])n2)CCCC1 ZINC000747960401 581958065 /nfs/dbraw/zinc/95/80/65/581958065.db2.gz DUTYRYCGIMAKMO-UHFFFAOYSA-N 0 3 281.316 0.440 20 5 CCBDHN COc1ccc(CNCCN2CCNC2=O)cc1[N+](=O)[O-] ZINC000886324430 617258008 /nfs/dbraw/zinc/25/80/08/617258008.db2.gz QFAQRLFQPYBRJT-UHFFFAOYSA-N 0 3 294.311 0.718 20 5 CCBDHN CCN1CCN(c2ccc(CNCC[N+](=O)[O-])cn2)CC1 ZINC000905047747 615162771 /nfs/dbraw/zinc/16/27/71/615162771.db2.gz ABUUCNMLKBDFIV-UHFFFAOYSA-N 0 3 293.371 0.590 20 5 CCBDHN CCN1C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819350764 615366460 /nfs/dbraw/zinc/36/64/60/615366460.db2.gz ULXTZDPSZJLFPZ-AAEUAGOBSA-N 0 3 293.323 0.839 20 5 CCBDHN CCOc1cnc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813106067 615521702 /nfs/dbraw/zinc/52/17/02/615521702.db2.gz XQHAASKLPUSTIQ-ZETCQYMHSA-N 0 3 255.230 0.697 20 5 CCBDHN C[NH+](C)CCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000833859875 615907688 /nfs/dbraw/zinc/90/76/88/615907688.db2.gz VASLBLOFSMNSHA-UHFFFAOYSA-N 0 3 267.285 0.747 20 5 CCBDHN CC[S@](=O)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000132780919 616016811 /nfs/dbraw/zinc/01/68/11/616016811.db2.gz ZSLQOIVPCNZSQB-CWTRNNRKSA-N 0 3 286.353 0.986 20 5 CCBDHN COCC(C)(C)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000819634972 616720904 /nfs/dbraw/zinc/72/09/04/616720904.db2.gz CAUFAWBYCMFRQV-GHMZBOCLSA-N 0 3 285.344 0.221 20 5 CCBDHN COCCn1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1=O ZINC000813111586 616730269 /nfs/dbraw/zinc/73/02/69/616730269.db2.gz VJMGLFLZEAPLST-VIFPVBQESA-N 0 3 284.268 0.317 20 5 CCBDHN CC(COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)[N+](=O)[O-] ZINC000813102178 624646953 /nfs/dbraw/zinc/64/69/53/624646953.db2.gz CFGDFXCNFYJCSP-BFARCFIYSA-N 0 3 271.269 0.437 20 5 CCBDHN CC(COC(=O)c1ccnn1CC(F)F)[N+](=O)[O-] ZINC000813104793 624649586 /nfs/dbraw/zinc/64/95/86/624649586.db2.gz HNGPUGHZZZQMFX-ZCFIWIBFSA-N 0 3 263.200 0.970 20 5 CCBDHN CC(COC(=O)c1cccn2c(=O)[nH]nc12)[N+](=O)[O-] ZINC000813110207 624654835 /nfs/dbraw/zinc/65/48/35/624654835.db2.gz URRUDGHOQWWFMQ-LURJTMIESA-N 0 3 266.213 0.257 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC(C3OCCO3)CC2)n1 ZINC000176224981 625012298 /nfs/dbraw/zinc/01/22/98/625012298.db2.gz FYAGEWBSVHDIPH-UHFFFAOYSA-N 0 3 296.327 0.876 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCN(C)C)C1CC1 ZINC000898019615 633270202 /nfs/dbraw/zinc/27/02/02/633270202.db2.gz OZZOHQITMIVVGR-UHFFFAOYSA-N 0 3 295.343 0.652 20 5 CCBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(CCF)CC1 ZINC001005380837 639907615 /nfs/dbraw/zinc/90/76/15/639907615.db2.gz HBRMGHGIAZLWBZ-GHMZBOCLSA-N 0 3 273.308 0.544 20 5 CCBDHN C[C@@H]1CCCN1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000811808950 640987884 /nfs/dbraw/zinc/98/78/84/640987884.db2.gz IMEAHKGQBBUANU-SECBINFHSA-N 0 3 293.327 0.985 20 5 CCBDHN CC(COC(=O)C[C@@H](NC(N)=O)c1ccccc1)[N+](=O)[O-] ZINC000813105295 641022775 /nfs/dbraw/zinc/02/27/75/641022775.db2.gz XMLOOMHWHCPDKZ-MWLCHTKSSA-N 0 3 295.295 0.995 20 5 CCBDHN CC(COC(=O)CNC(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813110982 641024424 /nfs/dbraw/zinc/02/44/24/641024424.db2.gz NOFMSGVUZKBZLL-QMMMGPOBSA-N 0 3 284.243 0.764 20 5 CCBDHN CC(COC(=O)c1ccn(CC(F)F)n1)[N+](=O)[O-] ZINC000813113888 641024442 /nfs/dbraw/zinc/02/44/42/641024442.db2.gz KIHMSSVNHKLLBT-LURJTMIESA-N 0 3 263.200 0.970 20 5 CCBDHN CC(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[N+](=O)[O-] ZINC000813115261 641024519 /nfs/dbraw/zinc/02/45/19/641024519.db2.gz NWJMHLZXGWAFMI-ZJUUUORDSA-N 0 3 296.279 0.837 20 5 CCBDHN Cc1noc(COC(=O)C2CCCN(C)C2=O)c1[N+](=O)[O-] ZINC000853923456 644159475 /nfs/dbraw/zinc/15/94/75/644159475.db2.gz VCQMFIJXJUUXNH-MRVPVSSYSA-N 0 3 297.267 0.803 20 5 CCBDHN CC(COC(=O)/C=C\COC1CCOCC1)[N+](=O)[O-] ZINC000870377045 645988050 /nfs/dbraw/zinc/98/80/50/645988050.db2.gz NYRTZJMYCQZLRS-ZMWSMAPVSA-N 0 3 273.285 0.947 20 5 CCBDHN O=[N+]([O-])c1ncccc1CN[C@H](CO)C1CCOCC1 ZINC000886122870 647903881 /nfs/dbraw/zinc/90/38/81/647903881.db2.gz MIKOQYPJCZMINY-GFCCVEGCSA-N 0 3 281.312 0.867 20 5 CCBDHN Cc1nc(Cl)c([N+](=O)[O-])c(-n2nncc2CN)n1 ZINC001158420134 801637460 /nfs/dbraw/zinc/63/74/60/801637460.db2.gz DARVHSZFTRHIEA-UHFFFAOYSA-N 0 3 269.652 0.386 20 5 CCBDHN O=[N+]([O-])c1cnc(N2CCNC3(CC3)C2)c([N+](=O)[O-])c1 ZINC001158932756 801725172 /nfs/dbraw/zinc/72/51/72/801725172.db2.gz DKRDEXBXAKAGEQ-UHFFFAOYSA-N 0 3 279.256 0.840 20 5 CCBDHN COc1nc(N[C@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159496001 801819884 /nfs/dbraw/zinc/81/98/84/801819884.db2.gz HSZQQTBZADZFRR-SCZZXKLOSA-N 0 3 282.300 0.787 20 5 CCBDHN CC(=O)NCCC1(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001163059910 802470149 /nfs/dbraw/zinc/47/01/49/802470149.db2.gz ATXRSJSJCXBMGV-UHFFFAOYSA-N 0 3 295.343 0.724 20 5 CCBDHN O=[N+]([O-])c1cnc(Cl)nc1-n1ncc2c1CCNC2 ZINC001165218011 802797381 /nfs/dbraw/zinc/79/73/81/802797381.db2.gz FHWUTSFJCGIANX-UHFFFAOYSA-N 0 3 280.675 0.870 20 5 CCBDHN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(-n2ncc3c2CCNC3)c1 ZINC001165220128 802798716 /nfs/dbraw/zinc/79/87/16/802798716.db2.gz FVWNYSBVCFRRBW-UHFFFAOYSA-N 0 3 295.686 0.713 20 5 CCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc(=S)[n-]1 ZINC001228125646 805415520 /nfs/dbraw/zinc/41/55/20/805415520.db2.gz JRKMERXEAQBGPI-MRVPVSSYSA-O 0 3 272.350 0.128 20 5 CCBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CC1 ZINC001254569841 808261797 /nfs/dbraw/zinc/26/17/97/808261797.db2.gz ZLOBWNFGPKQFKK-GFCCVEGCSA-N 0 3 275.308 0.930 20 5 CCBDHN CN(C[C@H](O)CO)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597126 808266001 /nfs/dbraw/zinc/26/60/01/808266001.db2.gz RSZVLWFBTVQEFJ-OLZOCXBDSA-N 0 3 266.297 0.347 20 5 CCBDHN CCc1n[n-]c(C(=O)NCC[NH+]2CC=CC2)c1[N+](=O)[O-] ZINC001255909543 808438638 /nfs/dbraw/zinc/43/86/38/808438638.db2.gz QUEIYQMGVZSPKQ-UHFFFAOYSA-N 0 3 279.300 0.482 20 5 CCBDHN Cc1c(C(=O)N[C@H]2COC3(CNC3)C2)cccc1[N+](=O)[O-] ZINC001263156408 809463153 /nfs/dbraw/zinc/46/31/53/809463153.db2.gz VYJLQQRRIFFPNR-SNVBAGLBSA-N 0 3 291.307 0.764 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000700595531 818811975 /nfs/dbraw/zinc/81/19/75/818811975.db2.gz HUCMVRLSYXDLNS-UHFFFAOYSA-N 0 3 287.341 0.652 20 5 CCBDHN O=[N+]([O-])c1ccc(CN2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000705371171 819502501 /nfs/dbraw/zinc/50/25/01/819502501.db2.gz WQLAYUKEGWTEFG-TXEJJXNPSA-N 0 3 266.297 0.627 20 5 CCBDHN Cc1cc(CN)nn1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001156039548 822297793 /nfs/dbraw/zinc/29/77/93/822297793.db2.gz VCZHLCKIBWYIJG-UHFFFAOYSA-N 0 3 278.228 0.851 20 5 CCBDHN Cc1ccnc(NC(=N)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC001157914341 837691560 /nfs/dbraw/zinc/69/15/60/837691560.db2.gz CIYKFCCFZVRKSY-UHFFFAOYSA-N 0 3 278.316 0.892 20 5 CCBDHN CN(C1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)[C@@H]1CCOC1 ZINC001169033880 836108216 /nfs/dbraw/zinc/10/82/16/836108216.db2.gz DMJCHIIJXNMBNR-YNEHKIRRSA-N 0 3 283.372 0.837 20 5 CCBDHN C[C@@H](N)c1ccn(-c2ncc([N+](=O)[O-])cc2C(N)=O)n1 ZINC001169227338 836163559 /nfs/dbraw/zinc/16/35/59/836163559.db2.gz BYLJGGYABGICRB-ZCFIWIBFSA-N 0 3 276.256 0.294 20 5 CCBDHN COc1cc(NCC2CN(C)C2)cnc1[N+](=O)[O-] ZINC001170256680 837274720 /nfs/dbraw/zinc/27/47/20/837274720.db2.gz SXGCWWKNBCZGMI-UHFFFAOYSA-N 0 3 252.274 0.972 20 5 CCBDHN COc1ccnc(N[C@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170561963 838105921 /nfs/dbraw/zinc/10/59/21/838105921.db2.gz HRPASIILNXGMOS-PSASIEDQSA-N 0 3 282.300 0.787 20 5 CCBDHN COc1ncc([N+](=O)[O-])cc1N[C@H](C)[C@H]1CNCCO1 ZINC001170565719 838121352 /nfs/dbraw/zinc/12/13/52/838121352.db2.gz DCWOOWNVZPEYOK-LDYMZIIASA-N 0 3 282.300 0.787 20 5 CCBDHN COc1ncc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CNCCO2)n1 ZINC001170566280 838126276 /nfs/dbraw/zinc/12/62/76/838126276.db2.gz XMIAZUJQQNZXNE-APPZFPTMSA-N 0 3 283.288 0.182 20 5 CCBDHN COc1cc(-n2nncc2CN)ncc1[N+](=O)[O-] ZINC001158420716 838149208 /nfs/dbraw/zinc/14/92/08/838149208.db2.gz XMXJFKYTHCMVIK-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN COc1cnc(N[C@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170574857 838161215 /nfs/dbraw/zinc/16/12/15/838161215.db2.gz XPUJFZYIMKGLAY-PSASIEDQSA-N 0 3 282.300 0.787 20 5 CCBDHN NC[C@@H](N)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249127261 842021924 /nfs/dbraw/zinc/02/19/24/842021924.db2.gz IXLLSVVILCYRHF-RXMQYKEDSA-N 0 3 268.208 0.137 20 5 CCBDHN CCc1nccn1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001177513933 842618856 /nfs/dbraw/zinc/61/88/56/842618856.db2.gz JGPBYRLSDYSNRD-RKDXNWHRSA-N 0 3 252.274 0.227 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC(N[C@@H]2CCOC2)C1 ZINC001187740120 844759646 /nfs/dbraw/zinc/75/96/46/844759646.db2.gz YTLXBANLCGNLLB-SNVBAGLBSA-N 0 3 295.343 0.687 20 5 CCBDHN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])CCC(F)(F)F ZINC001482595474 894357750 /nfs/dbraw/zinc/35/77/50/894357750.db2.gz QAHGCNUUZSSVHL-RKDXNWHRSA-N 0 3 297.277 0.994 20 5 CCBDHN CCC(=O)N(CCO)CCNCc1cccc([N+](=O)[O-])c1 ZINC001484472408 896423773 /nfs/dbraw/zinc/42/37/73/896423773.db2.gz OVQLUNYMZJLNKM-UHFFFAOYSA-N 0 3 295.339 0.915 20 5 CCBDHN O=[N+]([O-])CCN[C@@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001336849503 921055533 /nfs/dbraw/zinc/05/55/33/921055533.db2.gz RODBUHBIVZVFGT-SECBINFHSA-N 0 3 262.331 0.353 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCC[C@@H]1O ZINC000090589942 349438373 /nfs/dbraw/zinc/43/83/73/349438373.db2.gz ZSLDGTBYECSHAG-YPMHNXCESA-N 0 3 295.339 0.849 20 5 CCBDHN C[C@H](O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090548809 349438664 /nfs/dbraw/zinc/43/86/64/349438664.db2.gz LWSXSKBHEOKRQT-NSHDSACASA-N 0 3 295.339 0.849 20 5 CCBDHN C[C@H](O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090565240 349438970 /nfs/dbraw/zinc/43/89/70/349438970.db2.gz KQMZECQINPMIBU-RYUDHWBXSA-N 0 3 295.339 0.849 20 5 CCBDHN COC(=O)[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000095019784 349583245 /nfs/dbraw/zinc/58/32/45/349583245.db2.gz ABSSEJNTGMZFJX-MWLCHTKSSA-N 0 3 296.327 0.841 20 5 CCBDHN CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCN(C)CC1 ZINC000599985374 361846474 /nfs/dbraw/zinc/84/64/74/361846474.db2.gz DFTGHDFLQGHDDN-UHFFFAOYSA-N 0 3 296.331 0.129 20 5 CCBDHN CN1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102486940 349679646 /nfs/dbraw/zinc/67/96/46/349679646.db2.gz NDBRTHONLKVXET-UHFFFAOYSA-N 0 3 295.343 0.737 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CCC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000109051777 349752828 /nfs/dbraw/zinc/75/28/28/349752828.db2.gz FXNPFDCPZWJRAT-JTQLQIEISA-N 0 3 295.343 0.803 20 5 CCBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000112924253 349794931 /nfs/dbraw/zinc/79/49/31/349794931.db2.gz VVBLLYBQLCGHIH-VIFPVBQESA-N 0 3 281.316 0.461 20 5 CCBDHN Cc1ccc(CNC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600677007 362031085 /nfs/dbraw/zinc/03/10/85/362031085.db2.gz AMWSFSVUMPLWFV-GFCCVEGCSA-N 0 3 265.313 0.981 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@]1(O)CCN(C)C1 ZINC000358323840 232080825 /nfs/dbraw/zinc/08/08/25/232080825.db2.gz UILNITQOQOZGSM-LBPRGKRZSA-N 0 3 266.301 0.777 20 5 CCBDHN C[C@H]1C[C@H](CO)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000344135692 137179341 /nfs/dbraw/zinc/17/93/41/137179341.db2.gz SRPDRYZJGBYPEZ-WDEREUQCSA-N 0 3 268.317 0.884 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347521021 137341208 /nfs/dbraw/zinc/34/12/08/137341208.db2.gz MBNJKHLYSZCFNS-QMMMGPOBSA-N 0 3 267.289 0.152 20 5 CCBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347949841 137365569 /nfs/dbraw/zinc/36/55/69/137365569.db2.gz WCNNTLOEWRJYKR-UHFFFAOYSA-N 0 3 254.290 0.615 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(C3CCC3)C2)c1 ZINC000348978654 137382362 /nfs/dbraw/zinc/38/23/62/137382362.db2.gz YFDLXRINLRLWMY-CYBMUJFWSA-N 0 3 280.328 0.884 20 5 CCBDHN CCN(CCC(=O)OC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000050054943 348464299 /nfs/dbraw/zinc/46/42/99/348464299.db2.gz JDZIITNWOFRGOI-UHFFFAOYSA-N 0 3 284.316 0.985 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1CO ZINC000050116393 348468129 /nfs/dbraw/zinc/46/81/29/348468129.db2.gz BURDAHHIQYJFQK-SNVBAGLBSA-N 0 3 254.290 0.556 20 5 CCBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000054132395 348543275 /nfs/dbraw/zinc/54/32/75/348543275.db2.gz AJCMMOMFSAVXGO-UHFFFAOYSA-N 0 3 266.301 0.859 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000068468664 348811682 /nfs/dbraw/zinc/81/16/82/348811682.db2.gz QAVDMSIVFADADR-JTQLQIEISA-N 0 3 293.327 0.453 20 5 CCBDHN CN(C)CCN(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000080389367 349211026 /nfs/dbraw/zinc/21/10/26/349211026.db2.gz ACFRYXJLUYEIIM-UHFFFAOYSA-N 0 3 281.312 0.994 20 5 CCBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)CN1 ZINC000086467731 349339795 /nfs/dbraw/zinc/33/97/95/349339795.db2.gz DBBYYYIPDXXTQE-SFYZADRCSA-N 0 3 252.274 0.745 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCOC1 ZINC000090551789 180002524 /nfs/dbraw/zinc/00/25/24/180002524.db2.gz KLPNFVBFVZFAPE-NSHDSACASA-N 0 3 281.312 0.725 20 5 CCBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](CN)C1 ZINC000124289210 350093780 /nfs/dbraw/zinc/09/37/80/350093780.db2.gz IDIIYWAHOPATNU-SNVBAGLBSA-N 0 3 296.302 0.449 20 5 CCBDHN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000124296064 350094594 /nfs/dbraw/zinc/09/45/94/350094594.db2.gz FNDIFWPJQSYRCT-LBPRGKRZSA-N 0 3 278.312 0.310 20 5 CCBDHN CC[C@@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000129169891 350207619 /nfs/dbraw/zinc/20/76/19/350207619.db2.gz MCHUYSKDPDUXTH-SECBINFHSA-N 0 3 266.301 0.860 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN[C@H](C)C1 ZINC000091549777 180188853 /nfs/dbraw/zinc/18/88/53/180188853.db2.gz UEAIMMUJLYDYRB-MRVPVSSYSA-N 0 3 253.306 0.918 20 5 CCBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC000157367266 350644272 /nfs/dbraw/zinc/64/42/72/350644272.db2.gz PQZVMSLVCGYXHR-NSHDSACASA-N 0 3 279.296 0.242 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CCCCCC1 ZINC000161731005 350728631 /nfs/dbraw/zinc/72/86/31/350728631.db2.gz REZGXOAPSUUIAK-UHFFFAOYSA-N 0 3 295.343 0.934 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCN(C)C)n1 ZINC000166768091 350801520 /nfs/dbraw/zinc/80/15/20/350801520.db2.gz KHWLGQOTMBTRFV-UHFFFAOYSA-N 0 3 282.300 0.774 20 5 CCBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111304480 186393786 /nfs/dbraw/zinc/39/37/86/186393786.db2.gz KCUIOFLTFKCWQD-QMMMGPOBSA-N 0 3 273.314 0.610 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCN(CC3CC3)CC2)c1 ZINC000174823723 351106172 /nfs/dbraw/zinc/10/61/72/351106172.db2.gz BUGLRHUJFGDMDT-UHFFFAOYSA-N 0 3 279.344 0.819 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCO1 ZINC000176225933 351162188 /nfs/dbraw/zinc/16/21/88/351162188.db2.gz CLDRFXKEPYIFPB-JTQLQIEISA-N 0 3 254.290 0.902 20 5 CCBDHN COCCOC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176248031 351165095 /nfs/dbraw/zinc/16/50/95/351165095.db2.gz UJWDQBZKZBFHJG-UHFFFAOYSA-N 0 3 298.343 0.919 20 5 CCBDHN Cc1cc(=O)n(CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000181323113 351312439 /nfs/dbraw/zinc/31/24/39/351312439.db2.gz GOGGQDIGOIILTK-UHFFFAOYSA-N 0 3 294.355 0.702 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN1C ZINC000230697590 352118009 /nfs/dbraw/zinc/11/80/09/352118009.db2.gz RJNJOGDZDFVDMC-BDAKNGLRSA-N 0 3 293.327 0.785 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN1C ZINC000230697595 352118111 /nfs/dbraw/zinc/11/81/11/352118111.db2.gz RJNJOGDZDFVDMC-IUCAKERBSA-N 0 3 293.327 0.785 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000228753004 352084015 /nfs/dbraw/zinc/08/40/15/352084015.db2.gz WZNIOWGQUXACDC-CYBMUJFWSA-N 0 3 299.302 0.776 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000237751340 352281831 /nfs/dbraw/zinc/28/18/31/352281831.db2.gz XXJCIBBZUBKYQV-JTQLQIEISA-N 0 3 299.352 0.919 20 5 CCBDHN C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000247336437 352409972 /nfs/dbraw/zinc/40/99/72/352409972.db2.gz FVQBTTVKRZYRHI-CMPLNLGQSA-N 0 3 284.316 0.263 20 5 CCBDHN C[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249598592 352497167 /nfs/dbraw/zinc/49/71/67/352497167.db2.gz QDBBWTFLZIZVQL-VHSXEESVSA-N 0 3 266.301 0.857 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000268217277 352817572 /nfs/dbraw/zinc/81/75/72/352817572.db2.gz PUBLIKSVGNCADU-GXSJLCMTSA-N 0 3 293.327 0.390 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCCN(C)C1 ZINC000604485276 363198492 /nfs/dbraw/zinc/19/84/92/363198492.db2.gz JPFFBIVNPWQFKL-JTQLQIEISA-N 0 3 281.316 0.310 20 5 CCBDHN NC(=O)N[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000270702197 352970655 /nfs/dbraw/zinc/97/06/55/352970655.db2.gz YBFPYELMFQIUAN-LLVKDONJSA-N 0 3 278.312 0.880 20 5 CCBDHN COC[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270549605 352947083 /nfs/dbraw/zinc/94/70/83/352947083.db2.gz GOFPIIBYMQMSIM-NSHDSACASA-N 0 3 281.312 0.725 20 5 CCBDHN COc1ccc(CNC(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000270617762 352957461 /nfs/dbraw/zinc/95/74/61/352957461.db2.gz CPBTYCMIBIGBTE-UHFFFAOYSA-N 0 3 296.327 0.964 20 5 CCBDHN CS[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271140225 353025453 /nfs/dbraw/zinc/02/54/53/353025453.db2.gz OWOPLDXHTMTKLI-RKDXNWHRSA-N 0 3 299.356 0.436 20 5 CCBDHN CS[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000272088582 353035079 /nfs/dbraw/zinc/03/50/79/353035079.db2.gz XPBSVZVMAPDUAU-RYUDHWBXSA-N 0 3 299.400 0.769 20 5 CCBDHN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000272678216 353085488 /nfs/dbraw/zinc/08/54/88/353085488.db2.gz KHLABQGWQZOPJK-JTQLQIEISA-N 0 3 293.327 0.558 20 5 CCBDHN Cc1cc(C(=O)NC[C@@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000152747629 188040180 /nfs/dbraw/zinc/04/01/80/188040180.db2.gz SNFUEGWYMMMMJR-CQSZACIVSA-N 0 3 295.339 0.946 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000152868953 188049888 /nfs/dbraw/zinc/04/98/88/188049888.db2.gz YAISQICZZPBSNO-CYBMUJFWSA-N 0 3 299.302 0.776 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000293421671 353810460 /nfs/dbraw/zinc/81/04/60/353810460.db2.gz NDFDHJAHKUWCKF-YWVKMMECSA-N 0 3 254.290 0.492 20 5 CCBDHN COC[C@@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293653491 353827623 /nfs/dbraw/zinc/82/76/23/353827623.db2.gz IRKKDGIKGCUYSR-SCZZXKLOSA-N 0 3 269.301 0.835 20 5 CCBDHN Cc1n[nH]c(C(=O)NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000299544197 354025382 /nfs/dbraw/zinc/02/53/82/354025382.db2.gz OYVBUQBIVBSJOY-UHFFFAOYSA-N 0 3 267.289 0.450 20 5 CCBDHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301203388 354072390 /nfs/dbraw/zinc/07/23/90/354072390.db2.gz NQNMTXOSCHHDHH-SECBINFHSA-N 0 3 293.327 0.842 20 5 CCBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1CO ZINC000305197891 354138427 /nfs/dbraw/zinc/13/84/27/354138427.db2.gz USMWJTVUQPSPTN-ZYHUDNBSSA-N 0 3 268.317 0.884 20 5 CCBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000332707035 354726301 /nfs/dbraw/zinc/72/63/01/354726301.db2.gz NUSGAACJZAAJBQ-BXKDBHETSA-N 0 3 296.327 0.450 20 5 CCBDHN COc1ccc(CNC(=O)[C@@H]2C[C@@H]2N)cc1[N+](=O)[O-] ZINC000424096771 235153415 /nfs/dbraw/zinc/15/34/15/235153415.db2.gz CYUHGTAJOWQTDW-BDAKNGLRSA-N 0 3 265.269 0.567 20 5 CCBDHN Nc1c(C(=O)NC[C@H]2CNCCO2)cc(F)cc1[N+](=O)[O-] ZINC000423986961 235132586 /nfs/dbraw/zinc/13/25/86/235132586.db2.gz GYQBDGLKJFNHRJ-MRVPVSSYSA-N 0 3 298.274 0.034 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)C[C@H](O)C1 ZINC000401518734 357799703 /nfs/dbraw/zinc/79/97/03/357799703.db2.gz AOUOPOUUCMGCMG-KOLCDFICSA-N 0 3 268.317 0.802 20 5 CCBDHN O=[N+]([O-])c1cccc(CN2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000405516171 357826714 /nfs/dbraw/zinc/82/67/14/357826714.db2.gz UPOLEUHXILYUKH-UONOGXRCSA-N 0 3 277.324 0.846 20 5 CCBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451626009 236173451 /nfs/dbraw/zinc/17/34/51/236173451.db2.gz RCVVOVZKIRRGEX-FXAINCCUSA-N 0 3 289.291 0.860 20 5 CCBDHN C[C@H]1C[C@@H](O)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000452066821 236215738 /nfs/dbraw/zinc/21/57/38/236215738.db2.gz LJZQCLYGARHAEX-GXSJLCMTSA-N 0 3 254.290 0.494 20 5 CCBDHN N[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000423720440 358204513 /nfs/dbraw/zinc/20/45/13/358204513.db2.gz HDVXGQNKZQIZRI-NSHDSACASA-N 0 3 289.295 0.959 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000588863804 359342988 /nfs/dbraw/zinc/34/29/88/359342988.db2.gz SYFZGFCROVVZLY-JTQLQIEISA-N 0 3 267.285 0.247 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590447409 359469233 /nfs/dbraw/zinc/46/92/33/359469233.db2.gz XAXCYJBAHMLUTG-DTWKUNHWSA-N 0 3 279.300 0.402 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590447409 359469234 /nfs/dbraw/zinc/46/92/34/359469234.db2.gz XAXCYJBAHMLUTG-DTWKUNHWSA-N 0 3 279.300 0.402 20 5 CCBDHN CC1(C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1 ZINC000591444524 359592778 /nfs/dbraw/zinc/59/27/78/359592778.db2.gz FNYULPJVWUQNTN-UHFFFAOYSA-N 0 3 276.300 0.826 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](C(F)F)C2)c1 ZINC000611180052 363674365 /nfs/dbraw/zinc/67/43/65/363674365.db2.gz QKSAZGSRQIFAIT-SCZZXKLOSA-N 0 3 290.270 0.739 20 5 CCBDHN CCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298285800 200383683 /nfs/dbraw/zinc/38/36/83/200383683.db2.gz HXTRAVRTECCNDR-VIFPVBQESA-N 0 3 293.327 0.985 20 5 CCBDHN CCN1CCC[C@@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000177029930 189022928 /nfs/dbraw/zinc/02/29/28/189022928.db2.gz LZWYOMVEVDZQLU-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000177045125 189024344 /nfs/dbraw/zinc/02/43/44/189024344.db2.gz OFCADTTVIFLLFL-UWVGGRQHSA-N 0 3 293.327 0.533 20 5 CCBDHN N[C@H]1C[C@@H]2CN(c3sccc3[N+](=O)[O-])CCN2C1=O ZINC000594700793 360361993 /nfs/dbraw/zinc/36/19/93/360361993.db2.gz BUSQQODEBCKULS-SFYZADRCSA-N 0 3 282.325 0.405 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN(CCOCCO)C2CCC2)c1 ZINC000595595643 360593016 /nfs/dbraw/zinc/59/30/16/360593016.db2.gz KFDWYXLGKGJKHU-UHFFFAOYSA-N 0 3 298.343 0.655 20 5 CCBDHN C[C@H](O)[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000595765457 360645644 /nfs/dbraw/zinc/64/56/44/360645644.db2.gz HJNSFSSSIKUEMM-GXSJLCMTSA-N 0 3 254.290 0.637 20 5 CCBDHN O=C1CC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@@H]2N1 ZINC000595727361 360631277 /nfs/dbraw/zinc/63/12/77/360631277.db2.gz BMMPVNZMGOYXMV-JQWIXIFHSA-N 0 3 293.327 0.392 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@]1(C)CO ZINC000595876385 360688341 /nfs/dbraw/zinc/68/83/41/360688341.db2.gz SLQHWFPGTQCOGF-ZYHUDNBSSA-N 0 3 268.317 0.742 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1C[C@H](O)C1 ZINC000596066948 360786498 /nfs/dbraw/zinc/78/64/98/360786498.db2.gz HYQJQWHEQVSNOP-GMTAPVOTSA-N 0 3 282.296 0.447 20 5 CCBDHN Nc1ccc(NCCCN2CCC(O)CC2)nc1[N+](=O)[O-] ZINC000596085976 360790775 /nfs/dbraw/zinc/79/07/75/360790775.db2.gz QWUWECBSVRDJAE-UHFFFAOYSA-N 0 3 295.343 0.253 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000596245480 360851582 /nfs/dbraw/zinc/85/15/82/360851582.db2.gz ZQZDYQRZMZHJPI-ZETCQYMHSA-N 0 3 274.708 0.400 20 5 CCBDHN CN(C)CCN(CC(=O)N(C)C)c1ccc([N+](=O)[O-])cn1 ZINC000596461739 360902361 /nfs/dbraw/zinc/90/23/61/360902361.db2.gz JDTQZYGSPAUGAV-UHFFFAOYSA-N 0 3 295.343 0.446 20 5 CCBDHN CCCN1CC[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000598342403 361391973 /nfs/dbraw/zinc/39/19/73/361391973.db2.gz MPFQKXAADVDUBT-VIFPVBQESA-N 0 3 281.316 0.542 20 5 CCBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1CO ZINC000598652152 361472386 /nfs/dbraw/zinc/47/23/86/361472386.db2.gz YJPUYZFBVXEREN-GHMZBOCLSA-N 0 3 268.317 0.742 20 5 CCBDHN CCN1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302135594 201357919 /nfs/dbraw/zinc/35/79/19/201357919.db2.gz ZWDIMSJPVAMTPS-NSHDSACASA-N 0 3 294.359 0.823 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CNCCO1 ZINC000564842074 291305876 /nfs/dbraw/zinc/30/58/76/291305876.db2.gz WLXXLWOZSKGBHX-SNVBAGLBSA-N 0 3 280.284 0.016 20 5 CCBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000183983146 388766990 /nfs/dbraw/zinc/76/69/90/388766990.db2.gz RWKYBZVINXKVDD-UHFFFAOYSA-N 0 3 296.327 0.342 20 5 CCBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000183985250 388767492 /nfs/dbraw/zinc/76/74/92/388767492.db2.gz DGKFHNKJJQARDJ-UHFFFAOYSA-N 0 3 287.341 0.700 20 5 CCBDHN C[C@H]1CCN(C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000354596369 389028089 /nfs/dbraw/zinc/02/80/89/389028089.db2.gz NZRLSVBBZJDMMJ-VIFPVBQESA-N 0 3 251.290 0.915 20 5 CCBDHN C[C@@H](CN1CCCCC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000123276084 389155401 /nfs/dbraw/zinc/15/54/01/389155401.db2.gz XKWOVOIUVALCEQ-NSHDSACASA-N 0 3 295.343 0.782 20 5 CCBDHN CCCc1n[nH]c(C(=O)N2CCN[C@@H](C)C2)c1[N+](=O)[O-] ZINC000236884156 389176120 /nfs/dbraw/zinc/17/61/20/389176120.db2.gz DGCWEROMWGJYOE-QMMMGPOBSA-N 0 3 281.316 0.704 20 5 CCBDHN CCCc1[nH]nc(C(=O)N2CCN[C@@H](C)C2)c1[N+](=O)[O-] ZINC000236884156 389176121 /nfs/dbraw/zinc/17/61/21/389176121.db2.gz DGCWEROMWGJYOE-QMMMGPOBSA-N 0 3 281.316 0.704 20 5 CCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](CO)C2)c1 ZINC000154351180 389311872 /nfs/dbraw/zinc/31/18/72/389311872.db2.gz DNONUSGJFATZGU-GXFFZTMASA-N 0 3 266.297 0.942 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2CO)c1 ZINC000264245132 389314858 /nfs/dbraw/zinc/31/48/58/389314858.db2.gz CLUBGQRKWNQTHC-QWHCGFSZSA-N 0 3 296.323 0.791 20 5 CCBDHN O=C(C[C@@H]1CNCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000269219724 389408209 /nfs/dbraw/zinc/40/82/09/389408209.db2.gz ZLAFMPPCXTWDSR-GFCCVEGCSA-N 0 3 291.307 0.862 20 5 CCBDHN C[C@@H]1CC[C@@H](O)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000421015836 389349707 /nfs/dbraw/zinc/34/97/07/389349707.db2.gz LFMULTJBHNRHHM-ZYHUDNBSSA-N 0 3 281.312 0.602 20 5 CCBDHN CN1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000170980752 389470010 /nfs/dbraw/zinc/47/00/10/389470010.db2.gz KIMPARHWCRLSLK-SNVBAGLBSA-N 0 3 281.316 0.249 20 5 CCBDHN C[C@H](CO)[C@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274006145 389477015 /nfs/dbraw/zinc/47/70/15/389477015.db2.gz LIIUPAHDHRIGJB-BDAKNGLRSA-N 0 3 281.312 0.800 20 5 CCBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCCN1 ZINC000423729754 389606250 /nfs/dbraw/zinc/60/62/50/389606250.db2.gz VPELFEALBGMCBB-LLVKDONJSA-N 0 3 289.295 0.974 20 5 CCBDHN CN(C[C@@H]1CCCN1C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000420633948 390018945 /nfs/dbraw/zinc/01/89/45/390018945.db2.gz JTBNDCREAROALC-VIFPVBQESA-N 0 3 293.327 0.619 20 5 CCBDHN COCCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCO[C@@H]1C ZINC000489438563 390100249 /nfs/dbraw/zinc/10/02/49/390100249.db2.gz XMXQLISPROLXAG-DGCLKSJQSA-N 0 3 298.343 0.917 20 5 CCBDHN COCCN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCOC1 ZINC000490051347 390103776 /nfs/dbraw/zinc/10/37/76/390103776.db2.gz BSBBMKPMPYOVAV-LLVKDONJSA-N 0 3 284.316 0.529 20 5 CCBDHN C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](C)CN1 ZINC000579573353 390185576 /nfs/dbraw/zinc/18/55/76/390185576.db2.gz KMKMEFQUVRLVNL-IUCAKERBSA-N 0 3 276.300 0.824 20 5 CCBDHN [NH3+][C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000520581640 390582860 /nfs/dbraw/zinc/58/28/60/390582860.db2.gz AMGCJDQBSZYVMX-QMMMGPOBSA-N 0 3 286.313 0.005 20 5 CCBDHN O=C(CNC1CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000567670852 390710218 /nfs/dbraw/zinc/71/02/18/390710218.db2.gz MAMFUBGYRJCEEL-UHFFFAOYSA-N 0 3 293.327 0.707 20 5 CCBDHN CN(C)C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCO1 ZINC000572939981 390812297 /nfs/dbraw/zinc/81/22/97/390812297.db2.gz VQFVSFZJCRRIML-JTQLQIEISA-N 0 3 284.291 0.896 20 5 CCBDHN C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)N(C)C1CC1 ZINC000263971273 131371213 /nfs/dbraw/zinc/37/12/13/131371213.db2.gz VGZFQEZGDNLDKH-SSDOTTSWSA-N 0 3 266.305 0.862 20 5 CCBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465015 144005130 /nfs/dbraw/zinc/00/51/30/144005130.db2.gz VGQCRYLUNOSWHV-UHFFFAOYSA-N 0 3 255.278 0.010 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000356479757 144006300 /nfs/dbraw/zinc/00/63/00/144006300.db2.gz NGKSMMQNENHVLF-VIFPVBQESA-N 0 3 279.300 0.249 20 5 CCBDHN C[C@@H](CN1CCCCC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357866191 144128059 /nfs/dbraw/zinc/12/80/59/144128059.db2.gz LCURAJLZOKXMNF-JTQLQIEISA-N 0 3 296.331 0.177 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCN(C3CCC3)CC2)n1 ZINC000357905645 144131606 /nfs/dbraw/zinc/13/16/06/144131606.db2.gz CRLWKGJREHBTAG-UHFFFAOYSA-N 0 3 279.344 0.961 20 5 CCBDHN C[C@@H]1C[C@@H](C)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000548096358 286004914 /nfs/dbraw/zinc/00/49/14/286004914.db2.gz MQERFXTZIGTJHM-KKZNHRDASA-N 0 3 254.290 0.635 20 5 CCBDHN CN(C)[C@@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000548419664 286034802 /nfs/dbraw/zinc/03/48/02/286034802.db2.gz HMEQEBMADMXTBP-MRVPVSSYSA-N 0 3 267.289 0.484 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCCC2)c1 ZINC000005007761 170054572 /nfs/dbraw/zinc/05/45/72/170054572.db2.gz WUWJLRKMXAPCAY-NSHDSACASA-N 0 3 254.290 0.638 20 5 CCBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCNCC1 ZINC000020362631 171161887 /nfs/dbraw/zinc/16/18/87/171161887.db2.gz RQMMHCIRVXAHKW-SNVBAGLBSA-N 0 3 278.312 0.827 20 5 CCBDHN COC[C@H](CO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285120644 196201405 /nfs/dbraw/zinc/20/14/05/196201405.db2.gz LAMYVYVQXSVDLO-WPRPVWTQSA-N 0 3 269.301 0.835 20 5 CCBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285297573 196244549 /nfs/dbraw/zinc/24/45/49/196244549.db2.gz VSASKWSJMXCLQI-UHFFFAOYSA-N 0 3 285.304 0.016 20 5 CCBDHN COc1ccc(NC(=O)CN2CCNCC2)c([N+](=O)[O-])c1 ZINC000037395748 173175791 /nfs/dbraw/zinc/17/57/91/173175791.db2.gz CRQNTIHZBSRCGF-UHFFFAOYSA-N 0 3 294.311 0.447 20 5 CCBDHN Cc1cc(C(=O)N2CCCNCC2)c(N)c([N+](=O)[O-])c1 ZINC000237686087 274677920 /nfs/dbraw/zinc/67/79/20/274677920.db2.gz XBGBFCHXKOBFRQ-UHFFFAOYSA-N 0 3 278.312 0.921 20 5 CCBDHN CN1CC[C@@]2(CCN(c3ncc([N+](=O)[O-])cn3)C2)C1 ZINC000292201409 277161233 /nfs/dbraw/zinc/16/12/33/277161233.db2.gz GSTJAJQAOUFMEN-GFCCVEGCSA-N 0 3 263.301 0.917 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000272707504 280188564 /nfs/dbraw/zinc/18/85/64/280188564.db2.gz ZZYCVFJXEJWAOH-NXEZZACHSA-N 0 3 293.327 0.793 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000272707504 280188566 /nfs/dbraw/zinc/18/85/66/280188566.db2.gz ZZYCVFJXEJWAOH-NXEZZACHSA-N 0 3 293.327 0.793 20 5 CCBDHN C[C@@]1(F)CNCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000583014979 329302772 /nfs/dbraw/zinc/30/27/72/329302772.db2.gz ABMOCYFCSXENCX-GFCCVEGCSA-N 0 3 294.290 0.775 20 5 CCBDHN Cc1cc(NC[C@@H]2CCCN2CCCO)ncc1[N+](=O)[O-] ZINC000450601990 534034067 /nfs/dbraw/zinc/03/40/67/534034067.db2.gz ZFONXSVHMHKQBW-LBPRGKRZSA-N 0 3 294.355 0.979 20 5 CCBDHN C[C@@H]1CCN[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000423893033 534105539 /nfs/dbraw/zinc/10/55/39/534105539.db2.gz COSYGZSJLDDSLH-MWLCHTKSSA-N 0 3 281.316 0.296 20 5 CCBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000183933248 521113601 /nfs/dbraw/zinc/11/36/01/521113601.db2.gz OXIJFTGSJIVJQI-UHFFFAOYSA-N 0 3 295.339 0.947 20 5 CCBDHN CC1(C)CCCN[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423894556 528944425 /nfs/dbraw/zinc/94/44/25/528944425.db2.gz DXBCEPCJJZJOSZ-LLVKDONJSA-N 0 3 295.343 0.686 20 5 CCBDHN CC[C@H]1[C@@H](CO)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451249884 529339308 /nfs/dbraw/zinc/33/93/08/529339308.db2.gz CRRBSKYCPMRCIA-YPMHNXCESA-N 0 3 295.339 0.849 20 5 CCBDHN CN(C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516376422 535889650 /nfs/dbraw/zinc/88/96/50/535889650.db2.gz BAYWIZDVCHRSPA-UHFFFAOYSA-N 0 3 281.268 0.615 20 5 CCBDHN CC[C@@H](CO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000794916233 581390744 /nfs/dbraw/zinc/39/07/44/581390744.db2.gz MPVYZUIXUCBOIO-NSHDSACASA-N 0 3 293.323 0.844 20 5 CCBDHN CC(C)[C@H](CN(C)C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772917299 581899627 /nfs/dbraw/zinc/89/96/27/581899627.db2.gz SUNBRIVUEMVEHP-VIFPVBQESA-N 0 3 283.332 0.644 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCOC(=O)C1CCN(C)C1=O ZINC000774000675 581906950 /nfs/dbraw/zinc/90/69/50/581906950.db2.gz NRQUWQBCLVNNEP-SECBINFHSA-N 0 3 296.283 0.121 20 5 CCBDHN CN1CCC(ONC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000773544388 581932328 /nfs/dbraw/zinc/93/23/28/581932328.db2.gz ZHALGNYXMZMJQJ-UHFFFAOYSA-N 0 3 294.311 0.933 20 5 CCBDHN NC(=O)C1(NCCn2ccc([N+](=O)[O-])n2)CCCC1 ZINC000750048505 582031437 /nfs/dbraw/zinc/03/14/37/582031437.db2.gz JVIIXIQAEPHOAM-UHFFFAOYSA-N 0 3 267.289 0.179 20 5 CCBDHN CN1CCC2(CCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000764360373 582043685 /nfs/dbraw/zinc/04/36/85/582043685.db2.gz DGBVEICSQQJNDQ-UHFFFAOYSA-N 0 3 279.300 0.628 20 5 CCBDHN CC(=O)N[C@H](CC1CCC1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107891 614115617 /nfs/dbraw/zinc/11/56/17/614115617.db2.gz YPXIEMYRQJAOSY-LDYMZIIASA-N 0 3 272.301 0.890 20 5 CCBDHN COc1cccc([C@H]2CN(CC[N+](=O)[O-])CCN2)c1 ZINC000931550068 617310272 /nfs/dbraw/zinc/31/02/72/617310272.db2.gz ZZKKCWLAKHBRKF-CYBMUJFWSA-N 0 3 265.313 0.918 20 5 CCBDHN CC(C)C[C@H]1CN(C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000886600220 614226442 /nfs/dbraw/zinc/22/64/42/614226442.db2.gz PIUCECAIVMHXJP-QJPTWQEYSA-N 0 3 269.345 0.840 20 5 CCBDHN CCCN1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000950056194 614593824 /nfs/dbraw/zinc/59/38/24/614593824.db2.gz WRJJLCCBJZQHEY-GHMZBOCLSA-N 0 3 255.318 0.594 20 5 CCBDHN CCCC(=O)N1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110929 614773150 /nfs/dbraw/zinc/77/31/50/614773150.db2.gz MDYYLNIBUUJONX-ZJUUUORDSA-N 0 3 272.301 0.986 20 5 CCBDHN CCO[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@H]1CCOC1 ZINC000870377683 615475235 /nfs/dbraw/zinc/47/52/35/615475235.db2.gz SAZHPAMGZWUKKR-UTLUCORTSA-N 0 3 261.274 0.636 20 5 CCBDHN CCc1ccc(C(=O)NCCN(C)CCO)cc1[N+](=O)[O-] ZINC000899734457 615664926 /nfs/dbraw/zinc/66/49/26/615664926.db2.gz GZCZCNAQCRVHHH-UHFFFAOYSA-N 0 3 295.339 0.811 20 5 CCBDHN CCc1nnc([C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC000849806159 615754616 /nfs/dbraw/zinc/75/46/16/615754616.db2.gz DYXAYVLNCXKAIB-FSDSQADBSA-N 0 3 254.246 0.637 20 5 CCBDHN CCc1nc([C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])n[nH]1 ZINC000849806159 615754618 /nfs/dbraw/zinc/75/46/18/615754618.db2.gz DYXAYVLNCXKAIB-FSDSQADBSA-N 0 3 254.246 0.637 20 5 CCBDHN CN(CCOCCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000800508383 616117473 /nfs/dbraw/zinc/11/74/73/616117473.db2.gz TWZHLZJBERAEPZ-CYBMUJFWSA-N 0 3 284.312 0.569 20 5 CCBDHN CN1CCN(C)CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000897093463 616237035 /nfs/dbraw/zinc/23/70/35/616237035.db2.gz FTSBAZPOOWJPMB-UHFFFAOYSA-N 0 3 279.344 0.673 20 5 CCBDHN COCCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000813112464 616730580 /nfs/dbraw/zinc/73/05/80/616730580.db2.gz HJEZJWNOUJNHEU-QMMMGPOBSA-N 0 3 271.273 0.660 20 5 CCBDHN CC(COC(=O)[C@H](C)NC(=O)c1ccco1)[N+](=O)[O-] ZINC000813104400 624649326 /nfs/dbraw/zinc/64/93/26/624649326.db2.gz ZYADCQYESMHSKA-SFYZADRCSA-N 0 3 270.241 0.606 20 5 CCBDHN CC(COC(=O)[C@H](C)NC(=O)C1CCCC1)[N+](=O)[O-] ZINC000813110664 624654509 /nfs/dbraw/zinc/65/45/09/624654509.db2.gz HEBQBPDKBRLINJ-IUCAKERBSA-N 0 3 272.301 0.890 20 5 CCBDHN C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895249113 632035435 /nfs/dbraw/zinc/03/54/35/632035435.db2.gz OSYMCOZSNXHPOB-KOLCDFICSA-N 0 3 295.343 0.742 20 5 CCBDHN Cc1cc(N2CCC[C@@H](NCC[N+](=O)[O-])C2)n(C)n1 ZINC000905235458 634832058 /nfs/dbraw/zinc/83/20/58/634832058.db2.gz ZAQICQIYAAXRAS-LLVKDONJSA-N 0 3 267.333 0.564 20 5 CCBDHN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912908951 636696838 /nfs/dbraw/zinc/69/68/38/636696838.db2.gz QNTUKQAAVRHYAF-QMMMGPOBSA-N 0 3 265.273 0.238 20 5 CCBDHN CC[C@H](NC[C@@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC000090282365 637377521 /nfs/dbraw/zinc/37/75/21/637377521.db2.gz YEFKYHIGCNVILG-NEPJUHHUSA-N 0 3 254.286 0.989 20 5 CCBDHN CC(COC(=O)CCCS(C)(=O)=O)[N+](=O)[O-] ZINC000813107334 641023068 /nfs/dbraw/zinc/02/30/68/641023068.db2.gz PGKVTGRSYIZIPK-ZETCQYMHSA-N 0 3 253.276 0.020 20 5 CCBDHN CC(COC(=O)[C@@H](C)NC(=O)c1ccoc1)[N+](=O)[O-] ZINC000813113971 641024547 /nfs/dbraw/zinc/02/45/47/641024547.db2.gz XHNLLMVYNDAIQY-JGVFFNPUSA-N 0 3 270.241 0.606 20 5 CCBDHN C[C@H](C[N+](=O)[O-])OC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000814048622 641055371 /nfs/dbraw/zinc/05/53/71/641055371.db2.gz VTZYDFUFNBQAEJ-DSYKOEDSSA-N 0 3 298.217 0.652 20 5 CCBDHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)c(N)c([N+](=O)[O-])c1 ZINC000818012020 641290075 /nfs/dbraw/zinc/29/00/75/641290075.db2.gz PNQPTKLVJFAEKD-VIFPVBQESA-N 0 3 294.311 0.204 20 5 CCBDHN CC(COC(=O)Cc1cn2c(n1)CCCC2)[N+](=O)[O-] ZINC000845575293 643330595 /nfs/dbraw/zinc/33/05/95/643330595.db2.gz GSHZIDKYGACXDY-VIFPVBQESA-N 0 3 267.285 0.970 20 5 CCBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)c2ccccn2)c1 ZINC000853103595 644075818 /nfs/dbraw/zinc/07/58/18/644075818.db2.gz OEFICMZQCQWBBZ-LBPRGKRZSA-N 0 3 277.284 0.510 20 5 CCBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CN(C)C ZINC000854467133 644207489 /nfs/dbraw/zinc/20/74/89/644207489.db2.gz BVSCNMBVEHHDMP-SECBINFHSA-N 0 3 299.302 0.695 20 5 CCBDHN Cc1ccc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000886240891 647928424 /nfs/dbraw/zinc/92/84/24/647928424.db2.gz HWHJIGQSWLDJMI-UOJUARBOSA-N 0 3 266.297 0.877 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000930672107 648888329 /nfs/dbraw/zinc/88/83/29/648888329.db2.gz GHZJXICGIRYSCQ-SNVBAGLBSA-N 0 3 293.327 0.453 20 5 CCBDHN COCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122388235 799221686 /nfs/dbraw/zinc/22/16/86/799221686.db2.gz RWQIIOZPZKYSCZ-UHFFFAOYSA-N 0 3 281.312 0.837 20 5 CCBDHN CC(COC(=O)[C@@H](C)Cc1cnn(C)c1)[N+](=O)[O-] ZINC001122950501 799311835 /nfs/dbraw/zinc/31/18/35/799311835.db2.gz KFDZLQIHSQCONJ-DTWKUNHWSA-N 0 3 255.274 0.807 20 5 CCBDHN Cc1nc(Cl)nc(-n2cnc(CN)c2)c1[N+](=O)[O-] ZINC001154905227 800866905 /nfs/dbraw/zinc/86/69/05/800866905.db2.gz DFADRBVXEDIOSS-UHFFFAOYSA-N 0 3 268.664 0.991 20 5 CCBDHN COc1nc(C)c([N+](=O)[O-])c(-n2nc(CN)cc2C)n1 ZINC001156039531 801099457 /nfs/dbraw/zinc/09/94/57/801099457.db2.gz UXFBICPCNIQGID-UHFFFAOYSA-N 0 3 278.272 0.655 20 5 CCBDHN [NH3+]Cc1ccc([N-]c2cc([N+](=O)[O-])cc[n+]2[O-])cn1 ZINC001160396895 801934352 /nfs/dbraw/zinc/93/43/52/801934352.db2.gz NYFIMYPTYARGJZ-UHFFFAOYSA-N 0 3 261.241 0.826 20 5 CCBDHN O=[N+]([O-])c1cnc(NCc2nnn3c2CNCCC3)nc1 ZINC001162966359 802445831 /nfs/dbraw/zinc/44/58/31/802445831.db2.gz GJVIOBSVESZEOP-UHFFFAOYSA-N 0 3 290.287 0.082 20 5 CCBDHN Cc1cnc(N2CC[C@@H]3NCCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165269398 802807797 /nfs/dbraw/zinc/80/77/97/802807797.db2.gz KPOKIAVOBQWQAR-JQWIXIFHSA-N 0 3 278.312 0.865 20 5 CCBDHN Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3NCCO[C@H]3C2)n1 ZINC001165269426 802808014 /nfs/dbraw/zinc/80/80/14/802808014.db2.gz LSJBMONLBKJFCX-ONGXEEELSA-N 0 3 279.300 0.260 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1C[C@H](O)C[C@@H]1CO)C2 ZINC001254577023 808263062 /nfs/dbraw/zinc/26/30/62/808263062.db2.gz BKAZIYQUZOBOKD-MGPQQGTHSA-N 0 3 278.308 0.490 20 5 CCBDHN CC1(C)CC(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001030294143 815962065 /nfs/dbraw/zinc/96/20/65/815962065.db2.gz YGSSWJKZDIDHQZ-VXGBXAGGSA-N 0 3 281.356 0.888 20 5 CCBDHN COc1ccnc(NC(=N)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC001168736148 818542394 /nfs/dbraw/zinc/54/23/94/818542394.db2.gz KSSHMCLDKUYUGB-UHFFFAOYSA-N 0 3 294.315 0.592 20 5 CCBDHN O=C1C[C@H]2[NH2+]CC[C@]2([N-]c2nccc(Cl)c2[N+](=O)[O-])N1 ZINC001155570689 822186862 /nfs/dbraw/zinc/18/68/62/822186862.db2.gz OUJFYHFNTAHEMW-RDDDGLTNSA-N 0 3 297.702 0.633 20 5 CCBDHN COC(=O)c1cnc(-n2nc(CN)cc2C)c([N+](=O)[O-])c1 ZINC001156039491 822298243 /nfs/dbraw/zinc/29/82/43/822298243.db2.gz TYLFCBJKLNELJL-UHFFFAOYSA-N 0 3 291.267 0.729 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N[C@@H]2C=CS(=O)(=O)C2)C1 ZINC001168966196 836087891 /nfs/dbraw/zinc/08/78/91/836087891.db2.gz GZOZHUJARWDYBW-KXUCPTDWSA-N 0 3 260.315 0.332 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N[C@H]2C=CS(=O)(=O)C2)C1 ZINC001168966195 836088956 /nfs/dbraw/zinc/08/89/56/836088956.db2.gz GZOZHUJARWDYBW-BBBLOLIVSA-N 0 3 260.315 0.332 20 5 CCBDHN Cc1c[n+]([O-])c(-n2ccc([C@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169228649 836163419 /nfs/dbraw/zinc/16/34/19/836163419.db2.gz QJWQOLYNJMNYIA-QMMMGPOBSA-N 0 3 263.257 0.742 20 5 CCBDHN C[C@@H](N)c1ccn(-c2ccc([N+](=O)[O-])c(C(N)=O)n2)n1 ZINC001169228396 836163601 /nfs/dbraw/zinc/16/36/01/836163601.db2.gz PYADYGFZFXXJSS-ZCFIWIBFSA-N 0 3 276.256 0.294 20 5 CCBDHN CNC(=O)CN[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170295235 837286861 /nfs/dbraw/zinc/28/68/61/837286861.db2.gz BOZIYAWVOLFEIU-SECBINFHSA-N 0 3 281.312 0.870 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CNCCO2)n1 ZINC001170559339 838083862 /nfs/dbraw/zinc/08/38/62/838083862.db2.gz WCTVRLYOOKHASD-SCZZXKLOSA-N 0 3 282.300 0.787 20 5 CCBDHN C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170566306 838123332 /nfs/dbraw/zinc/12/33/32/838123332.db2.gz FPMSZLNSAYFAHE-SCZZXKLOSA-N 0 3 252.274 0.779 20 5 CCBDHN CC(COC(=O)CCOC[C@@H]1CCCO1)[N+](=O)[O-] ZINC000813100038 838675969 /nfs/dbraw/zinc/67/59/69/838675969.db2.gz KNGAJMJTHHOKIB-ZJUUUORDSA-N 0 3 261.274 0.781 20 5 CCBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(N)n1)[C@H]1CNCCO1 ZINC001159496106 839313913 /nfs/dbraw/zinc/31/39/13/839313913.db2.gz BPJWIUDZCSANCI-VXNVDRBHSA-N 0 3 267.289 0.361 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC(N)=O)c1F ZINC001173176082 842012566 /nfs/dbraw/zinc/01/25/66/842012566.db2.gz XEGAVSKZOXXLPC-ZETCQYMHSA-N 0 3 285.275 0.748 20 5 CCBDHN C[C@H](O)[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000717289893 848218715 /nfs/dbraw/zinc/21/87/15/848218715.db2.gz ZAXWXSYMCMJRBG-HOTUBEGUSA-N 0 3 254.286 0.987 20 5 CCBDHN CCCCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042711076 850742632 /nfs/dbraw/zinc/74/26/32/850742632.db2.gz OLCUGZBDLYAQSH-GHMZBOCLSA-N 0 3 255.318 0.594 20 5 CCBDHN Cc1nocc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001323437672 912346296 /nfs/dbraw/zinc/34/62/96/912346296.db2.gz NFVPWVRVMJGSDI-GHMZBOCLSA-N 0 3 294.311 0.387 20 5 CCBDHN CCOCCCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001323920722 912584225 /nfs/dbraw/zinc/58/42/25/912584225.db2.gz IIMBKFHLDVXTDE-VXGBXAGGSA-N 0 3 285.344 0.221 20 5 CCBDHN CCCc1n[nH]c(C(=O)NOCCN(C)C)c1[N+](=O)[O-] ZINC001328309524 915096276 /nfs/dbraw/zinc/09/62/76/915096276.db2.gz NQROFTRNXFRMRV-UHFFFAOYSA-N 0 3 285.304 0.493 20 5 CCBDHN Cc1cncc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001492249517 907799656 /nfs/dbraw/zinc/79/96/56/907799656.db2.gz GPZWUHUTKINOGU-CHWSQXEVSA-N 0 3 292.339 0.603 20 5 CCBDHN Cc1cncc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001322682268 911910502 /nfs/dbraw/zinc/91/05/02/911910502.db2.gz GUGQRKDLMYMNCM-NEPJUHHUSA-N 0 3 292.339 0.995 20 5 CCBDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001333342261 918820540 /nfs/dbraw/zinc/82/05/40/918820540.db2.gz JYGVILLQPREPNU-MRVPVSSYSA-N 0 3 288.329 0.124 20 5 CCBDHN Cn1c(=O)ccc2c1CCC[C@@H]2NCC[N+](=O)[O-] ZINC001335480791 920224389 /nfs/dbraw/zinc/22/43/89/920224389.db2.gz IFMIZMVORGYPKQ-JTQLQIEISA-N 0 3 251.286 0.629 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCCN1C ZINC001336203982 920656765 /nfs/dbraw/zinc/65/67/65/920656765.db2.gz ROBXZVFZZSTVQN-NSHDSACASA-N 0 3 295.343 0.700 20 5 CCBDHN COC(=O)c1cnc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC001343372408 923286127 /nfs/dbraw/zinc/28/61/27/923286127.db2.gz ZPTDXQURYGVDNV-LURJTMIESA-N 0 3 269.213 0.085 20 5 CCBDHN C[C@H](C[N+](=O)[O-])OC(=O)C1CCCN(C2CC2)C1=O ZINC001346158364 924090069 /nfs/dbraw/zinc/09/00/69/924090069.db2.gz JGAJPBSOPWCEFL-SCZZXKLOSA-N 0 3 270.285 0.596 20 5 CCBDHN Cc1nc(N2CC[C@@H]3CN(C)C[C@H]32)ncc1[N+](=O)[O-] ZINC001352021208 925510012 /nfs/dbraw/zinc/51/00/12/925510012.db2.gz AGIKMTFMMBAGNG-MWLCHTKSSA-N 0 3 263.301 0.834 20 5 CCBDHN Cc1cc(N2CC(N[C@@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001472889608 926186318 /nfs/dbraw/zinc/18/63/18/926186318.db2.gz ZOSYSIVRZUQXFD-SNVBAGLBSA-N 0 3 278.312 0.865 20 5 CCBDHN CCc1nn(C)c(N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000091731319 349474199 /nfs/dbraw/zinc/47/41/99/349474199.db2.gz LWJMTTIJGFVTAW-UHFFFAOYSA-N 0 3 255.322 0.889 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599937129 361835305 /nfs/dbraw/zinc/83/53/05/361835305.db2.gz FCYGPBRYUIANPZ-UWVGGRQHSA-N 0 3 294.311 0.204 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599937129 361835309 /nfs/dbraw/zinc/83/53/09/361835309.db2.gz FCYGPBRYUIANPZ-UWVGGRQHSA-N 0 3 294.311 0.204 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599937129 361835314 /nfs/dbraw/zinc/83/53/14/361835314.db2.gz FCYGPBRYUIANPZ-UWVGGRQHSA-N 0 3 294.311 0.204 20 5 CCBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000269615454 190521104 /nfs/dbraw/zinc/52/11/04/190521104.db2.gz SBIGZUXOVHTPBH-SNVBAGLBSA-N 0 3 296.327 0.500 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C ZINC000101665148 349667411 /nfs/dbraw/zinc/66/74/11/349667411.db2.gz NRCWEBDPSANGPG-UHFFFAOYSA-N 0 3 267.285 0.895 20 5 CCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCN(CC2CC2)C1 ZINC000108297061 349744243 /nfs/dbraw/zinc/74/42/43/349744243.db2.gz GYCSKJABZHAKKN-LLVKDONJSA-N 0 3 293.327 0.392 20 5 CCBDHN CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000450441599 529810315 /nfs/dbraw/zinc/81/03/15/529810315.db2.gz VFAAQIWWHCIVEV-NSHDSACASA-N 0 3 252.274 0.468 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000330916211 232022527 /nfs/dbraw/zinc/02/25/27/232022527.db2.gz UXQAPMZIEXKXRH-UWVGGRQHSA-N 0 3 281.316 0.390 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000119739571 349951201 /nfs/dbraw/zinc/95/12/01/349951201.db2.gz CGTWNOYHXSMUFH-SNVBAGLBSA-N 0 3 293.327 0.542 20 5 CCBDHN CN(Cc1cn(C)nc1[N+](=O)[O-])C[C@@H]1CCCN1C ZINC000602699031 362759033 /nfs/dbraw/zinc/75/90/33/362759033.db2.gz PIUBORDIPJURJW-NSHDSACASA-N 0 3 267.333 0.854 20 5 CCBDHN CCCN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000344819801 137215189 /nfs/dbraw/zinc/21/51/89/137215189.db2.gz BNFUWAHEZJETDX-UHFFFAOYSA-N 0 3 283.332 0.592 20 5 CCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CN1CCNCC1 ZINC000037810274 348208648 /nfs/dbraw/zinc/20/86/48/348208648.db2.gz WYWIPMMHHSTGOU-UHFFFAOYSA-N 0 3 292.339 0.458 20 5 CCBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000078368298 349136182 /nfs/dbraw/zinc/13/61/82/349136182.db2.gz SISOVSJEEBFLCH-UHFFFAOYSA-N 0 3 252.274 0.747 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)C1CC1 ZINC000079769191 349189097 /nfs/dbraw/zinc/18/90/97/349189097.db2.gz KKCANTTWAVADMC-LLVKDONJSA-N 0 3 254.290 0.494 20 5 CCBDHN CCCc1n[nH]c(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000081865268 349286663 /nfs/dbraw/zinc/28/66/63/349286663.db2.gz RUUQXYAYQZPDLG-UHFFFAOYSA-N 0 3 283.332 0.904 20 5 CCBDHN CCCc1[nH]nc(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000081865268 349286665 /nfs/dbraw/zinc/28/66/65/349286665.db2.gz RUUQXYAYQZPDLG-UHFFFAOYSA-N 0 3 283.332 0.904 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCOC1 ZINC000090551790 180002913 /nfs/dbraw/zinc/00/29/13/180002913.db2.gz KLPNFVBFVZFAPE-LLVKDONJSA-N 0 3 281.312 0.725 20 5 CCBDHN CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000124294886 350094649 /nfs/dbraw/zinc/09/46/49/350094649.db2.gz RWFMMTFRZGVADN-CYBMUJFWSA-N 0 3 292.339 0.239 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CN1C1CC1 ZINC000126118201 350138783 /nfs/dbraw/zinc/13/87/83/350138783.db2.gz OQYVXZNQDVHRHR-DTWKUNHWSA-N 0 3 293.327 0.683 20 5 CCBDHN C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCCC1 ZINC000539017331 290891963 /nfs/dbraw/zinc/89/19/63/290891963.db2.gz FOXRVGJZQXFWPP-SECBINFHSA-N 0 3 281.316 0.542 20 5 CCBDHN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3CNCCO3)nc2c1 ZINC000147226913 350468195 /nfs/dbraw/zinc/46/81/95/350468195.db2.gz IDSPBONVQCKETJ-VIFPVBQESA-N 0 3 277.284 0.871 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2CO)c1 ZINC000174819028 351104541 /nfs/dbraw/zinc/10/45/41/351104541.db2.gz LIFCDFRMWYYRLC-JTQLQIEISA-N 0 3 254.290 0.638 20 5 CCBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N(C)C ZINC000122799759 187052047 /nfs/dbraw/zinc/05/20/47/187052047.db2.gz VDXBYWXQANVGNI-MRVPVSSYSA-N 0 3 266.301 0.857 20 5 CCBDHN C[C@H](O)CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246522547 352371303 /nfs/dbraw/zinc/37/13/03/352371303.db2.gz BXAHBKYFTGILKU-CMPLNLGQSA-N 0 3 284.312 0.647 20 5 CCBDHN CNC(=O)c1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000270920308 353003410 /nfs/dbraw/zinc/00/34/10/353003410.db2.gz WHSHWMQEUSHKSK-UHFFFAOYSA-N 0 3 278.312 0.705 20 5 CCBDHN Cc1n[nH]c(C(=O)N2C[C@@H](C)NC[C@@H]2C)c1[N+](=O)[O-] ZINC000272604639 353079217 /nfs/dbraw/zinc/07/92/17/353079217.db2.gz RJLFAAJWYVJNGV-RQJHMYQMSA-N 0 3 267.289 0.449 20 5 CCBDHN Cc1[nH]nc(C(=O)N2C[C@@H](C)NC[C@@H]2C)c1[N+](=O)[O-] ZINC000272604639 353079220 /nfs/dbraw/zinc/07/92/20/353079220.db2.gz RJLFAAJWYVJNGV-RQJHMYQMSA-N 0 3 267.289 0.449 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272707505 353087183 /nfs/dbraw/zinc/08/71/83/353087183.db2.gz ZZYCVFJXEJWAOH-UWVGGRQHSA-N 0 3 293.327 0.793 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272707505 353087185 /nfs/dbraw/zinc/08/71/85/353087185.db2.gz ZZYCVFJXEJWAOH-UWVGGRQHSA-N 0 3 293.327 0.793 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CN1C1CC1 ZINC000152974703 188056781 /nfs/dbraw/zinc/05/67/81/188056781.db2.gz BPVWWFGOUHRLPM-SFYZADRCSA-N 0 3 279.300 0.673 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CN1C1CC1 ZINC000152974703 188056782 /nfs/dbraw/zinc/05/67/82/188056782.db2.gz BPVWWFGOUHRLPM-SFYZADRCSA-N 0 3 279.300 0.673 20 5 CCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N(C)C ZINC000283565726 353515950 /nfs/dbraw/zinc/51/59/50/353515950.db2.gz VFTFMLFGKGEASM-ZETCQYMHSA-N 0 3 284.291 0.996 20 5 CCBDHN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCN(C)CC1 ZINC000286291441 353575760 /nfs/dbraw/zinc/57/57/60/353575760.db2.gz VBCZGNIDTRHYIU-UHFFFAOYSA-N 0 3 267.289 0.484 20 5 CCBDHN C[C@@H](CN(C)C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000286463017 353588330 /nfs/dbraw/zinc/58/83/30/353588330.db2.gz PPFMZRKRNPPFHX-ZETCQYMHSA-N 0 3 267.289 0.451 20 5 CCBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287185370 353630737 /nfs/dbraw/zinc/63/07/37/353630737.db2.gz CSTMIXNPRCBFQF-MCIONIFRSA-N 0 3 296.323 0.446 20 5 CCBDHN C[C@H]1[C@@H](O)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000296305471 353940914 /nfs/dbraw/zinc/94/09/14/353940914.db2.gz PNBIUOBGCVFTSV-ONGXEEELSA-N 0 3 254.290 0.637 20 5 CCBDHN COCCN(C)CCCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000299551006 354026703 /nfs/dbraw/zinc/02/67/03/354026703.db2.gz QZBVVAYKYBQOOC-UHFFFAOYSA-N 0 3 299.331 0.324 20 5 CCBDHN CCOC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304287282 354110375 /nfs/dbraw/zinc/11/03/75/354110375.db2.gz FVAXGWKTRZJOHF-GFCCVEGCSA-N 0 3 298.343 0.653 20 5 CCBDHN CO[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000331267372 354511366 /nfs/dbraw/zinc/51/13/66/354511366.db2.gz JLYGSGUHKIOCRQ-RAIGVLPGSA-N 0 3 298.343 0.652 20 5 CCBDHN CN1CC=C(CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000271841776 191361795 /nfs/dbraw/zinc/36/17/95/191361795.db2.gz QGWIVSCTRSHQFO-UHFFFAOYSA-N 0 3 264.289 0.641 20 5 CCBDHN CC(C)(C(=O)NCCN1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000338770595 355417422 /nfs/dbraw/zinc/41/74/22/355417422.db2.gz LDKWPNBHBAOAEQ-UHFFFAOYSA-N 0 3 295.343 0.738 20 5 CCBDHN CN(CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC1 ZINC000338675625 355394480 /nfs/dbraw/zinc/39/44/80/355394480.db2.gz UOEYDBIZAMBNJG-UHFFFAOYSA-N 0 3 295.343 0.737 20 5 CCBDHN CCCN(CCN(C)C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558752837 291072189 /nfs/dbraw/zinc/07/21/89/291072189.db2.gz KYSYCYIKVVPLOJ-UHFFFAOYSA-N 0 3 269.305 0.732 20 5 CCBDHN CC(C)[C@@H]1CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353024976 356140779 /nfs/dbraw/zinc/14/07/79/356140779.db2.gz JPBMITMUWPTSMG-NEPJUHHUSA-N 0 3 268.317 0.883 20 5 CCBDHN CCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000610336475 363551995 /nfs/dbraw/zinc/55/19/95/363551995.db2.gz OKYOCXMRZNBYQL-AAEUAGOBSA-N 0 3 297.359 0.178 20 5 CCBDHN COC[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000610605165 363585405 /nfs/dbraw/zinc/58/54/05/363585405.db2.gz OCZQAAATICMBKQ-SNVBAGLBSA-N 0 3 254.290 0.902 20 5 CCBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN2CCCO)nc1 ZINC000450598791 236098415 /nfs/dbraw/zinc/09/84/15/236098415.db2.gz RFSOKJVKJQGVII-NSHDSACASA-N 0 3 280.328 0.670 20 5 CCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000408039095 357880657 /nfs/dbraw/zinc/88/06/57/357880657.db2.gz SZOPKXNIWMGSGN-UWVGGRQHSA-N 0 3 295.343 0.741 20 5 CCBDHN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000296408074 199883170 /nfs/dbraw/zinc/88/31/70/199883170.db2.gz KEWQCAUCBLDAAH-SNVBAGLBSA-N 0 3 296.327 0.500 20 5 CCBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586776417 359289251 /nfs/dbraw/zinc/28/92/51/359289251.db2.gz MIUJZBUPXKASSG-VIFPVBQESA-N 0 3 279.300 0.532 20 5 CCBDHN C[C@H]1COCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610990950 363643159 /nfs/dbraw/zinc/64/31/59/363643159.db2.gz WHLBACUXWUZVJQ-JQWIXIFHSA-N 0 3 284.316 0.263 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN(C)C)c1 ZINC000588863881 359343001 /nfs/dbraw/zinc/34/30/01/359343001.db2.gz ZQUCHOKLQJCFJV-VIFPVBQESA-N 0 3 297.311 0.256 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)[C@@H]2C1 ZINC000590444237 359467267 /nfs/dbraw/zinc/46/72/67/359467267.db2.gz MWCYYKOHNAGPRG-WCBMZHEXSA-N 0 3 279.300 0.104 20 5 CCBDHN C[C@@H]1[C@H](O)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000590762216 359519341 /nfs/dbraw/zinc/51/93/41/359519341.db2.gz CGYQLSLYCDHYET-NQBHXWOUSA-N 0 3 296.323 0.790 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCNCC1(C)C ZINC000591678148 359636320 /nfs/dbraw/zinc/63/63/20/359636320.db2.gz KMAFEJSLISKKKE-UHFFFAOYSA-N 0 3 281.316 0.310 20 5 CCBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])nc1 ZINC000591984384 359720155 /nfs/dbraw/zinc/72/01/55/359720155.db2.gz GEPAUVLMIUNNHE-JTQLQIEISA-N 0 3 293.327 0.546 20 5 CCBDHN CN(CCN1CCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000593884588 360194624 /nfs/dbraw/zinc/19/46/24/360194624.db2.gz SGGGFYCMGYLVNW-UHFFFAOYSA-N 0 3 296.331 0.131 20 5 CCBDHN O=c1c2cc([N+](=O)[O-])sc2ncn1C[C@H]1CNCCO1 ZINC000594695306 360361521 /nfs/dbraw/zinc/36/15/21/360361521.db2.gz DJBRHZRNAPGALM-SSDOTTSWSA-N 0 3 296.308 0.355 20 5 CCBDHN COC(=O)[C@@]1(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000177457394 189052886 /nfs/dbraw/zinc/05/28/86/189052886.db2.gz XURNPENPPHSWNO-LBPRGKRZSA-N 0 3 282.300 0.676 20 5 CCBDHN C[C@]12COC[C@H]1CN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595757243 360642213 /nfs/dbraw/zinc/64/22/13/360642213.db2.gz IJNXXHSCMWVBLZ-RISCZKNCSA-N 0 3 293.323 0.725 20 5 CCBDHN COC(=O)[C@H]1C[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595850401 360679025 /nfs/dbraw/zinc/67/90/25/360679025.db2.gz ZOJWRKJDUAJKJD-AOOOYVTPSA-N 0 3 282.300 0.675 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@]1(C)CO ZINC000595875143 360686943 /nfs/dbraw/zinc/68/69/43/360686943.db2.gz PTBDPIXHWRDRRD-RISCZKNCSA-N 0 3 295.339 0.707 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@]1(C)CO ZINC000595876384 360688218 /nfs/dbraw/zinc/68/82/18/360688218.db2.gz SLQHWFPGTQCOGF-PWSUYJOCSA-N 0 3 268.317 0.742 20 5 CCBDHN CC[C@H](NC)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595927003 360707564 /nfs/dbraw/zinc/70/75/64/360707564.db2.gz SYNNIFRLTIYBOU-VIFPVBQESA-N 0 3 277.284 0.830 20 5 CCBDHN Cc1cc(C(=O)N2CCOC3(CNC3)C2)cc([N+](=O)[O-])c1 ZINC000596099204 360794482 /nfs/dbraw/zinc/79/44/82/360794482.db2.gz PLFORMGTBYLKLU-UHFFFAOYSA-N 0 3 291.307 0.718 20 5 CCBDHN C[NH+](C)CCOCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596184164 360826197 /nfs/dbraw/zinc/82/61/97/360826197.db2.gz PHMNDPVHDLBWOO-UHFFFAOYSA-N 0 3 270.289 0.686 20 5 CCBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1 ZINC000596501338 360911865 /nfs/dbraw/zinc/91/18/65/360911865.db2.gz NEZACLYDVDBFIL-NSHDSACASA-N 0 3 266.301 0.993 20 5 CCBDHN COc1c(C(=O)N[C@H](CO)CN(C)C)cccc1[N+](=O)[O-] ZINC000597652973 361174993 /nfs/dbraw/zinc/17/49/93/361174993.db2.gz GVBOMWRFHMHJOV-VIFPVBQESA-N 0 3 297.311 0.256 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597654880 361175527 /nfs/dbraw/zinc/17/55/27/361175527.db2.gz UUAAPVQTIWWWPV-SNVBAGLBSA-N 0 3 285.275 0.386 20 5 CCBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597856863 361270114 /nfs/dbraw/zinc/27/01/14/361270114.db2.gz BSGKBYUNXQVNDQ-MRVPVSSYSA-N 0 3 281.316 0.921 20 5 CCBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1CO ZINC000598652155 361473097 /nfs/dbraw/zinc/47/30/97/361473097.db2.gz YJPUYZFBVXEREN-WDEREUQCSA-N 0 3 268.317 0.742 20 5 CCBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCOC[C@H]2O)cc1 ZINC000599013240 361555088 /nfs/dbraw/zinc/55/50/88/361555088.db2.gz YLGFVHSLCADGHS-VXGBXAGGSA-N 0 3 252.270 0.834 20 5 CCBDHN Nc1cc(NCCN2CC[C@@H](O)C2)cc(CO)c1[N+](=O)[O-] ZINC000599176736 361600094 /nfs/dbraw/zinc/60/00/94/361600094.db2.gz VPNBYQWKUDXZTF-LLVKDONJSA-N 0 3 296.327 0.148 20 5 CCBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[NH2+]C1 ZINC000572404516 291877720 /nfs/dbraw/zinc/87/77/20/291877720.db2.gz NBLYNPLFSCQVTD-QMMMGPOBSA-N 0 3 286.313 0.020 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000247345703 285189420 /nfs/dbraw/zinc/18/94/20/285189420.db2.gz XUWONJZUSLHRJT-VXGBXAGGSA-N 0 3 298.368 0.998 20 5 CCBDHN C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000299281093 389041496 /nfs/dbraw/zinc/04/14/96/389041496.db2.gz MJOCHSVPBHQLQD-VIFPVBQESA-N 0 3 269.305 0.248 20 5 CCBDHN CCN1CCCC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000129957051 389196000 /nfs/dbraw/zinc/19/60/00/389196000.db2.gz CTOYMOFXFZYUGL-LBPRGKRZSA-N 0 3 295.343 0.782 20 5 CCBDHN CNC(=O)c1ccc(N2CCN[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000122686634 389153251 /nfs/dbraw/zinc/15/32/51/389153251.db2.gz NGGCLTAVQSOQRE-SECBINFHSA-N 0 3 278.312 0.753 20 5 CCBDHN C[C@@H]1CC[C@H](O)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000421028001 389349748 /nfs/dbraw/zinc/34/97/48/389349748.db2.gz WAHQEKWPCAUSLM-ZJUUUORDSA-N 0 3 254.290 0.637 20 5 CCBDHN CS[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1N(C)C ZINC000271998821 389454726 /nfs/dbraw/zinc/45/47/26/389454726.db2.gz HSXPAFYOKGMNHA-QWRGUYRKSA-N 0 3 299.400 0.769 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000415417535 389681957 /nfs/dbraw/zinc/68/19/57/389681957.db2.gz MWURHHGDKNCJRV-VIFPVBQESA-N 0 3 294.311 0.647 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415634526 389696050 /nfs/dbraw/zinc/69/60/50/389696050.db2.gz SPIKVDOPCDNXRR-NSHDSACASA-N 0 3 298.274 0.844 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCOC1 ZINC000352220602 389773684 /nfs/dbraw/zinc/77/36/84/389773684.db2.gz INFPDLPLZDFVIU-LBPRGKRZSA-N 0 3 281.312 0.867 20 5 CCBDHN COCCNCC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000429917472 389776067 /nfs/dbraw/zinc/77/60/67/389776067.db2.gz OSJHRNATMXUUDT-UHFFFAOYSA-N 0 3 297.311 0.456 20 5 CCBDHN CN(C[C@H]1CCCN1C)c1c([N+](=O)[O-])ncn1C ZINC000420641618 390019682 /nfs/dbraw/zinc/01/96/82/390019682.db2.gz USMPBGWXHQRCEC-SECBINFHSA-N 0 3 253.306 0.859 20 5 CCBDHN CC[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000439480388 390021578 /nfs/dbraw/zinc/02/15/78/390021578.db2.gz CVRKDFCZSCIDKW-OLZOCXBDSA-N 0 3 298.343 0.653 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)C2)n1 ZINC000579188781 390149300 /nfs/dbraw/zinc/14/93/00/390149300.db2.gz QJMANLYEPNWJDQ-SNVBAGLBSA-N 0 3 295.343 0.883 20 5 CCBDHN CN(C)CCOCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000538649506 390193898 /nfs/dbraw/zinc/19/38/98/390193898.db2.gz HKSGVEIAJSUFTE-UHFFFAOYSA-N 0 3 295.339 0.832 20 5 CCBDHN CN[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000583510286 390289466 /nfs/dbraw/zinc/28/94/66/390289466.db2.gz NKWRDKGMHVDZCB-ZETCQYMHSA-N 0 3 281.268 0.928 20 5 CCBDHN COC(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000495950560 390274218 /nfs/dbraw/zinc/27/42/18/390274218.db2.gz OSYXDMMJHZHIQX-IUCAKERBSA-N 0 3 274.273 0.673 20 5 CCBDHN O=[N+]([O-])c1ccn(C2CCN(CC3(CO)COC3)CC2)n1 ZINC000566596941 390631479 /nfs/dbraw/zinc/63/14/79/390631479.db2.gz PAKNMBRKUSKAFW-UHFFFAOYSA-N 0 3 296.327 0.437 20 5 CCBDHN O=C(NCCNc1ccncc1)c1ccc([N+](=O)[O-])cn1 ZINC000533817446 390886348 /nfs/dbraw/zinc/88/63/48/390886348.db2.gz SDYFDDZWSHRUKQ-UHFFFAOYSA-N 0 3 287.279 0.649 20 5 CCBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357055684 144054496 /nfs/dbraw/zinc/05/44/96/144054496.db2.gz OCMYUEFYWNTNAE-SNVBAGLBSA-N 0 3 295.343 0.885 20 5 CCBDHN CN(C)CCSc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357509637 144097429 /nfs/dbraw/zinc/09/74/29/144097429.db2.gz JAGSGJQQCZQBBK-UHFFFAOYSA-N 0 3 270.314 0.742 20 5 CCBDHN C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000357599468 144103865 /nfs/dbraw/zinc/10/38/65/144103865.db2.gz OEAUMYIWRJMUTM-SECBINFHSA-N 0 3 294.311 0.600 20 5 CCBDHN Cc1cc(C(=O)NC[C@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000358065759 144148073 /nfs/dbraw/zinc/14/80/73/144148073.db2.gz NJBIZVODKYYSAN-CQSZACIVSA-N 0 3 293.323 0.700 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000358066932 144148179 /nfs/dbraw/zinc/14/81/79/144148179.db2.gz NMEAUDWDIXRRNL-AWEZNQCLSA-N 0 3 293.323 0.700 20 5 CCBDHN CN(CCNC(=O)c1c[nH]nc1[N+](=O)[O-])C1CC1 ZINC000548947780 286081489 /nfs/dbraw/zinc/08/14/89/286081489.db2.gz NZNMSLRKULVEOM-UHFFFAOYSA-N 0 3 253.262 0.142 20 5 CCBDHN Cn1c(C(=O)N2CCCNCC2)ccc1[N+](=O)[O-] ZINC000020213950 171076068 /nfs/dbraw/zinc/07/60/68/171076068.db2.gz RTMBVSJSDUGWDC-UHFFFAOYSA-N 0 3 252.274 0.369 20 5 CCBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285720637 196377233 /nfs/dbraw/zinc/37/72/33/196377233.db2.gz QENFQSHHLUIYLZ-SCZZXKLOSA-N 0 3 281.316 0.776 20 5 CCBDHN Cc1nc(N2CC[C@H](N(C)C)C2)ncc1[N+](=O)[O-] ZINC000297086032 274842345 /nfs/dbraw/zinc/84/23/45/274842345.db2.gz KEDAYRRERIXGQT-VIFPVBQESA-N 0 3 251.290 0.834 20 5 CCBDHN CNc1nc(C(=O)NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000416313107 273975681 /nfs/dbraw/zinc/97/56/81/273975681.db2.gz TZMOQSNAEQGJHN-UHFFFAOYSA-N 0 3 293.327 0.856 20 5 CCBDHN C[C@H](CO)N1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000344978703 279360333 /nfs/dbraw/zinc/36/03/33/279360333.db2.gz GKRYYVUFUGGIBY-SNVBAGLBSA-N 0 3 283.332 0.221 20 5 CCBDHN CN[C@@H](C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000582073004 327832620 /nfs/dbraw/zinc/83/26/20/327832620.db2.gz PDSQUNLETTWVOI-VIFPVBQESA-N 0 3 266.301 0.731 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580465749 330143417 /nfs/dbraw/zinc/14/34/17/330143417.db2.gz VPLDTPXDFLSJHI-WDEREUQCSA-N 0 3 290.323 0.651 20 5 CCBDHN COCCN(C)CCNc1ncccc1[N+](=O)[O-] ZINC000061379657 523615001 /nfs/dbraw/zinc/61/50/01/523615001.db2.gz ZCOASOWWVNPIEQ-UHFFFAOYSA-N 0 3 254.290 0.980 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000358070351 536481108 /nfs/dbraw/zinc/48/11/08/536481108.db2.gz VEYQWOMKIZUHDZ-ZDUSSCGKSA-N 0 3 297.286 0.530 20 5 CCBDHN CC(C)N(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCC(=O)N1 ZINC000412073177 528916747 /nfs/dbraw/zinc/91/67/47/528916747.db2.gz IYBIZDRUBDIMNW-NSHDSACASA-N 0 3 295.343 0.780 20 5 CCBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356469531 536370522 /nfs/dbraw/zinc/37/05/22/536370522.db2.gz UGNKGQCIAKYTGC-UHFFFAOYSA-N 0 3 281.316 0.496 20 5 CCBDHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000517455344 536386574 /nfs/dbraw/zinc/38/65/74/536386574.db2.gz CQSLPFMRXGXFOO-SECBINFHSA-N 0 3 266.301 0.995 20 5 CCBDHN C[C@@]1(C(N)=O)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796576261 581444274 /nfs/dbraw/zinc/44/42/74/581444274.db2.gz RLUUAISNMMOREP-TZMCWYRMSA-N 0 3 293.323 0.826 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000776597099 582083473 /nfs/dbraw/zinc/08/34/73/582083473.db2.gz HFOMFGYRYIGNQP-OASPWFOLSA-N 0 3 266.297 0.941 20 5 CCBDHN CSc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C ZINC000813109374 617278427 /nfs/dbraw/zinc/27/84/27/617278427.db2.gz JLJHENDYFPJBSG-LURJTMIESA-N 0 3 259.287 0.964 20 5 CCBDHN CC(C)NC(=O)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813108287 613909034 /nfs/dbraw/zinc/90/90/34/613909034.db2.gz CRJPWMCRBFWNTB-VIFPVBQESA-N 0 3 260.290 0.890 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN(C)CCO ZINC000884825299 615670357 /nfs/dbraw/zinc/67/03/57/615670357.db2.gz OYYIPUSSUCRIHA-UHFFFAOYSA-N 0 3 271.321 0.456 20 5 CCBDHN C[NH+](C)C[C@H](CO)[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000853624011 615939604 /nfs/dbraw/zinc/93/96/04/615939604.db2.gz HDUUESYIRCEGSD-MRVPVSSYSA-N 0 3 284.272 0.837 20 5 CCBDHN CN(C)C[C@H](CO)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000853624011 615939606 /nfs/dbraw/zinc/93/96/06/615939606.db2.gz HDUUESYIRCEGSD-MRVPVSSYSA-N 0 3 284.272 0.837 20 5 CCBDHN CN(C)C[C@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000813356296 615950081 /nfs/dbraw/zinc/95/00/81/615950081.db2.gz VZSVBDLWGHABEH-SNVBAGLBSA-N 0 3 278.268 0.581 20 5 CCBDHN CN(CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000899727007 616106563 /nfs/dbraw/zinc/10/65/63/616106563.db2.gz ZPQICFVSQMKJNE-UHFFFAOYSA-N 0 3 267.285 0.249 20 5 CCBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000874845647 616199824 /nfs/dbraw/zinc/19/98/24/616199824.db2.gz XGBMVXNOSMRIGF-VXGBXAGGSA-N 0 3 293.327 0.486 20 5 CCBDHN CN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCC1(C)C ZINC000871154464 616231957 /nfs/dbraw/zinc/23/19/57/616231957.db2.gz ICEHTVCXHBDQRV-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN COC(=O)[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@H]1C ZINC000878493045 616663631 /nfs/dbraw/zinc/66/36/31/616663631.db2.gz VSWXKFXUGCKMIJ-ONGXEEELSA-N 0 3 296.327 0.983 20 5 CCBDHN Cc1cnc2c(C(=O)OCC(C)[N+](=O)[O-])cnn2c1 ZINC000893046470 625303526 /nfs/dbraw/zinc/30/35/26/625303526.db2.gz CJYJDSKLOMKQPW-QMMMGPOBSA-N 0 3 264.241 0.860 20 5 CCBDHN CC[C@H](NC[C@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC000090282363 624481433 /nfs/dbraw/zinc/48/14/33/624481433.db2.gz YEFKYHIGCNVILG-RYUDHWBXSA-N 0 3 254.286 0.989 20 5 CCBDHN CC(COC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)[N+](=O)[O-] ZINC000813104996 624649638 /nfs/dbraw/zinc/64/96/38/624649638.db2.gz IZACQOPEXJIWHB-DSYKOEDSSA-N 0 3 298.217 0.652 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)CCO)c1C ZINC000899742364 633886451 /nfs/dbraw/zinc/88/64/51/633886451.db2.gz XMHJLJCUQVJEQD-UHFFFAOYSA-N 0 3 295.339 0.866 20 5 CCBDHN O=[N+]([O-])CCN[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000905348779 634845574 /nfs/dbraw/zinc/84/55/74/634845574.db2.gz HJCHPKHNWIVBJM-NSHDSACASA-N 0 3 263.297 0.938 20 5 CCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CCC2)C1 ZINC000912920588 636704105 /nfs/dbraw/zinc/70/41/05/636704105.db2.gz ZNMWMBYEFCXQBD-NSHDSACASA-N 0 3 293.327 0.488 20 5 CCBDHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813105461 641022017 /nfs/dbraw/zinc/02/20/17/641022017.db2.gz ZQVYMHWUTHTKEU-SSDOTTSWSA-N 0 3 294.267 0.082 20 5 CCBDHN CC(COC(=O)COCc1ccccn1)[N+](=O)[O-] ZINC000813103663 641022720 /nfs/dbraw/zinc/02/27/20/641022720.db2.gz DNQKMNUNGIOLIU-SECBINFHSA-N 0 3 254.242 0.807 20 5 CCBDHN CC(COC(=O)COCc1ccnn1C)[N+](=O)[O-] ZINC000813106477 641023209 /nfs/dbraw/zinc/02/32/09/641023209.db2.gz DCWFUQSCJRGRRF-QMMMGPOBSA-N 0 3 257.246 0.145 20 5 CCBDHN CC(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[N+](=O)[O-] ZINC000813108843 641023547 /nfs/dbraw/zinc/02/35/47/641023547.db2.gz MBDFICUOFJOSJT-UTLUCORTSA-N 0 3 298.295 0.370 20 5 CCBDHN CC(COC(=O)c1cncc(N2CCOCC2)c1)[N+](=O)[O-] ZINC000813107958 641023799 /nfs/dbraw/zinc/02/37/99/641023799.db2.gz ZTLAULILSBQTKH-JTQLQIEISA-N 0 3 295.295 0.740 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)[N+](=O)[O-] ZINC000851037395 643828716 /nfs/dbraw/zinc/82/87/16/643828716.db2.gz UTNWYKDHTIOHOL-GWOFURMSSA-N 0 3 284.312 0.890 20 5 CCBDHN Cc1c(CN[C@H]2C[C@@H](O)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000886251954 647938469 /nfs/dbraw/zinc/93/84/69/647938469.db2.gz OZPSMVQJNHALHT-LMKPVCQUSA-N 0 3 266.297 0.877 20 5 CCBDHN C[C@H](O)[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000930440492 648862088 /nfs/dbraw/zinc/86/20/88/648862088.db2.gz NPIYYWAWYRYQJC-GXFFZTMASA-N 0 3 268.313 0.811 20 5 CCBDHN CN(c1cc(Cl)cc([N+](=O)[O-])n1)S(=O)(=O)CCN ZINC001156237045 801135336 /nfs/dbraw/zinc/13/53/36/801135336.db2.gz VOBGUQVRLHWYCZ-UHFFFAOYSA-N 0 3 294.720 0.368 20 5 CCBDHN CN1CCN(CCCNc2nccc(N)c2[N+](=O)[O-])CC1 ZINC001161706265 802202726 /nfs/dbraw/zinc/20/27/26/802202726.db2.gz WETHUZSLADBJOU-UHFFFAOYSA-N 0 3 294.359 0.621 20 5 CCBDHN COC(=O)c1ncc([N+](=O)[O-])cc1-n1cnc(CN)c1 ZINC001162304210 802310607 /nfs/dbraw/zinc/31/06/07/802310607.db2.gz BSGSQCSHLMIDDD-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN Cc1cc([N+](=O)[O-])cc(N(C)S(=O)(=O)CCN)c1F ZINC001164297017 802711729 /nfs/dbraw/zinc/71/17/29/802711729.db2.gz HDERXWSLAVVARX-UHFFFAOYSA-N 0 3 291.304 0.767 20 5 CCBDHN Nc1cc([N+](=O)[O-])cnc1-n1cnc2c1CNCC2 ZINC001164317047 802720558 /nfs/dbraw/zinc/72/05/58/802720558.db2.gz UYRSVFJQZUJHBS-UHFFFAOYSA-N 0 3 260.257 0.403 20 5 CCBDHN NC(=O)[C@@H](N)Cc1ccc(O[C@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001218329158 803949493 /nfs/dbraw/zinc/94/94/93/803949493.db2.gz SZRTVGGSTBSYRV-QWHCGFSZSA-N 0 3 293.323 0.476 20 5 CCBDHN O=C1C[C@@H](N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CO1 ZINC001254573561 808261441 /nfs/dbraw/zinc/26/14/41/808261441.db2.gz BWFLLYZEUKWXKK-WDEREUQCSA-N 0 3 262.265 0.967 20 5 CCBDHN CN([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)S(=O)(=O)CCN ZINC001254571826 808261890 /nfs/dbraw/zinc/26/18/90/808261890.db2.gz CAFVSHJZDDBZGG-GFCCVEGCSA-N 0 3 299.352 0.282 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H](CO)[C@H](O)C1)C2 ZINC001254593536 808264465 /nfs/dbraw/zinc/26/44/65/808264465.db2.gz MNLBQDCHDGNHAX-NILFDRSVSA-N 0 3 292.335 0.737 20 5 CCBDHN CN(C)CCONC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001261741045 809071542 /nfs/dbraw/zinc/07/15/42/809071542.db2.gz AMRWOPJMMYXIPV-UHFFFAOYSA-N 0 3 286.263 0.539 20 5 CCBDHN CC(C)CCCN1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001271282553 814367223 /nfs/dbraw/zinc/36/72/23/814367223.db2.gz ZHDXPPAWMDHOGD-VXGBXAGGSA-N 0 3 299.371 0.251 20 5 CCBDHN CN(c1cc([N+](=O)[O-])cc(Cl)n1)S(=O)(=O)CCN ZINC001156231936 836041215 /nfs/dbraw/zinc/04/12/15/836041215.db2.gz RDFQKCASAVGLSW-UHFFFAOYSA-N 0 3 294.720 0.368 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN([C@@H]3CCOC3)CC2)C1 ZINC001169005936 836095080 /nfs/dbraw/zinc/09/50/80/836095080.db2.gz DJCBZLRYSRHQPD-MGPQQGTHSA-N 0 3 283.372 0.838 20 5 CCBDHN COC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C ZINC001169035081 836110798 /nfs/dbraw/zinc/11/07/98/836110798.db2.gz AFWKMAHLERAMKN-UTUOFQBUSA-N 0 3 285.344 0.221 20 5 CCBDHN O=c1[n-]n([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1C[NH2+]CC2 ZINC001169049640 836117348 /nfs/dbraw/zinc/11/73/48/836117348.db2.gz XDIAKWMEONWOFH-IUCAKERBSA-N 0 3 266.301 0.852 20 5 CCBDHN CCOC(=O)c1cc(-n2nncc2CN)ccc1[N+](=O)[O-] ZINC001169312360 836192625 /nfs/dbraw/zinc/19/26/25/836192625.db2.gz UVTUMOGZCYVWGC-UHFFFAOYSA-N 0 3 291.267 0.811 20 5 CCBDHN NCc1cnnn1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001169303701 836205353 /nfs/dbraw/zinc/20/53/53/836205353.db2.gz CSKGLIVBUHBYLC-UHFFFAOYSA-N 0 3 255.625 0.078 20 5 CCBDHN NCc1cnnn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001158423186 838153896 /nfs/dbraw/zinc/15/38/96/838153896.db2.gz NMQFXNLJNIKHMZ-UHFFFAOYSA-N 0 3 271.240 0.577 20 5 CCBDHN Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102550 838677062 /nfs/dbraw/zinc/67/70/62/838677062.db2.gz ROJFJGJYCAIGAM-ZCFIWIBFSA-N 0 3 295.251 0.657 20 5 CCBDHN Cc1nn2cccnc2c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102209 838677279 /nfs/dbraw/zinc/67/72/79/838677279.db2.gz PGWNSWGIOXVTQQ-SSDOTTSWSA-N 0 3 264.241 0.860 20 5 CCBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159496582 839318167 /nfs/dbraw/zinc/31/81/67/839318167.db2.gz KGJAMZHZLGDXBP-XCBNKYQSSA-N 0 3 297.271 0.687 20 5 CCBDHN NC(=O)[C@@H](CO)N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913059 841989534 /nfs/dbraw/zinc/98/95/34/841989534.db2.gz TTWOODJTMKVARM-DGCLKSJQSA-N 0 3 293.323 0.278 20 5 CCBDHN Cc1c(NC(=O)[C@H]2CNCCN2C)cccc1[N+](=O)[O-] ZINC000686126210 849063145 /nfs/dbraw/zinc/06/31/45/849063145.db2.gz PPUSPPULPIQIEK-GFCCVEGCSA-N 0 3 278.312 0.745 20 5 CCBDHN CCC1([N-]c2nc(C)nc(OC)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168580692 897669441 /nfs/dbraw/zinc/66/94/41/897669441.db2.gz MRACQUHUHJVADW-UHFFFAOYSA-N 0 3 267.289 0.866 20 5 CCBDHN O=C(NCCN1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC001290393548 906121971 /nfs/dbraw/zinc/12/19/71/906121971.db2.gz ZGZYOBKLZXODOI-UHFFFAOYSA-N 0 3 253.262 0.144 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCF)c1 ZINC001335353127 906694539 /nfs/dbraw/zinc/69/45/39/906694539.db2.gz YJLOHBSVSGZRBM-SNVBAGLBSA-N 0 3 258.249 0.894 20 5 CCBDHN Cc1nc(N2C[C@@H]3CCCN3C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001348864928 924830239 /nfs/dbraw/zinc/83/02/39/924830239.db2.gz GZSPEQQLANIOJU-WDEREUQCSA-N 0 3 293.327 0.339 20 5 CCBDHN Cn1ccnc1[C@H]1C[C@H](NCC[N+](=O)[O-])CCO1 ZINC001356101940 926344875 /nfs/dbraw/zinc/34/48/75/926344875.db2.gz IUIQKPKCLBHJIB-NXEZZACHSA-N 0 3 254.290 0.507 20 5 CCBDHN COC(=O)c1ccnc(NCCN(C)CCO)c1[N+](=O)[O-] ZINC001559277735 926918312 /nfs/dbraw/zinc/91/83/12/926918312.db2.gz AICLMBVFKMNQHX-UHFFFAOYSA-N 0 3 298.299 0.112 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)nc1 ZINC000095091936 349589990 /nfs/dbraw/zinc/58/99/90/349589990.db2.gz WYZYRGPZFXFJIF-QMMMGPOBSA-N 0 3 286.313 0.020 20 5 CCBDHN COC(=O)[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000095020687 349583268 /nfs/dbraw/zinc/58/32/68/349583268.db2.gz GFOYWMRZSCVTSC-JTQLQIEISA-N 0 3 282.300 0.595 20 5 CCBDHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111302184 349770017 /nfs/dbraw/zinc/77/00/17/349770017.db2.gz WURQMFZWFBDNCR-LURJTMIESA-N 0 3 293.732 0.874 20 5 CCBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])nn3C)[C@@H]2C1 ZINC000425062328 529822364 /nfs/dbraw/zinc/82/23/64/529822364.db2.gz CZFBRJXSIXSWSU-GXSJLCMTSA-N 0 3 293.327 0.495 20 5 CCBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000115435820 349855003 /nfs/dbraw/zinc/85/50/03/349855003.db2.gz AZBFKNDYKHUGAL-LLVKDONJSA-N 0 3 295.343 0.592 20 5 CCBDHN CNC(=O)[C@H](C)N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000426354552 529917626 /nfs/dbraw/zinc/91/76/26/529917626.db2.gz TYKPJDVDTRBFDE-DCAQKATOSA-N 0 3 295.343 0.999 20 5 CCBDHN Cn1cc(CN2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602716754 362769026 /nfs/dbraw/zinc/76/90/26/362769026.db2.gz CXYZEYUUUIKYAD-ONGXEEELSA-N 0 3 266.301 0.797 20 5 CCBDHN CS[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000602795435 362805003 /nfs/dbraw/zinc/80/50/03/362805003.db2.gz AQLVVLHFBKSDII-GHMZBOCLSA-N 0 3 299.400 0.806 20 5 CCBDHN C[C@H](NCc1cn(C)nc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000602809415 362811201 /nfs/dbraw/zinc/81/12/01/362811201.db2.gz HFHJSHNYBUCSKZ-IUCAKERBSA-N 0 3 254.290 0.843 20 5 CCBDHN COC[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000602823648 362820523 /nfs/dbraw/zinc/82/05/23/362820523.db2.gz YAKVOKXIONQNBA-VXGBXAGGSA-N 0 3 298.343 0.883 20 5 CCBDHN CNC(=O)[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602844599 362833084 /nfs/dbraw/zinc/83/30/84/362833084.db2.gz DLXPJUSEFFHRQV-SNVBAGLBSA-N 0 3 281.316 0.168 20 5 CCBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCNCC1 ZINC000261782000 137019808 /nfs/dbraw/zinc/01/98/08/137019808.db2.gz KDIDKUAIAQBSCN-SNVBAGLBSA-N 0 3 278.312 0.827 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344026252 137173776 /nfs/dbraw/zinc/17/37/76/137173776.db2.gz BRTSDTCKVPUWPR-CYZMBNFOSA-N 0 3 293.323 0.459 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000344049397 137175584 /nfs/dbraw/zinc/17/55/84/137175584.db2.gz KNDRKORFQZLAQX-WCQGTBRESA-N 0 3 266.301 0.494 20 5 CCBDHN Cn1cc(CN[C@H](CO)C2CCC2)c([N+](=O)[O-])n1 ZINC000602882983 362862922 /nfs/dbraw/zinc/86/29/22/362862922.db2.gz FLPVGOQLRWAKRW-SNVBAGLBSA-N 0 3 254.290 0.579 20 5 CCBDHN C[C@@]1(CO)C[C@H](O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000602904191 362877483 /nfs/dbraw/zinc/87/74/83/362877483.db2.gz BQNKYENEVAHUPJ-JSGCOSHPSA-N 0 3 296.323 0.791 20 5 CCBDHN CCCc1n[nH]c(C(=O)N[C@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000346156508 137269995 /nfs/dbraw/zinc/26/99/95/137269995.db2.gz AZRNJRVFJUEDOD-MRVPVSSYSA-N 0 3 283.332 0.950 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C ZINC000046273102 348353989 /nfs/dbraw/zinc/35/39/89/348353989.db2.gz WXSSVESQGJMLRY-QMMMGPOBSA-N 0 3 266.301 0.978 20 5 CCBDHN O=[N+]([O-])c1ccc(CN2[C@@H](CO)CC[C@H]2CO)cc1 ZINC000347265789 137327681 /nfs/dbraw/zinc/32/76/81/137327681.db2.gz BWKJWUNEANZOIQ-BETUJISGSA-N 0 3 266.297 0.912 20 5 CCBDHN O=C(CCOC1CNC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000349054617 137385573 /nfs/dbraw/zinc/38/55/73/137385573.db2.gz OJFDGWNLPGKERI-UHFFFAOYSA-N 0 3 291.307 0.862 20 5 CCBDHN C[C@H]1[C@@H](CO)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000412098640 233056560 /nfs/dbraw/zinc/05/65/60/233056560.db2.gz VSCQQJCEDUTGPV-NWDGAFQWSA-N 0 3 295.339 0.849 20 5 CCBDHN CN1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000079800025 349190440 /nfs/dbraw/zinc/19/04/40/349190440.db2.gz QSMIHCVKGPRGFJ-UHFFFAOYSA-N 0 3 252.278 0.109 20 5 CCBDHN C[C@H](O)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000089931567 349414026 /nfs/dbraw/zinc/41/40/26/349414026.db2.gz VPRCWAQHXCJKJF-QWRGUYRKSA-N 0 3 268.317 0.884 20 5 CCBDHN C[C@H]1C[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000124100331 350089244 /nfs/dbraw/zinc/08/92/44/350089244.db2.gz FYRIOUWBMOACEX-QWRGUYRKSA-N 0 3 295.343 0.732 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CN1C1CC1 ZINC000126118016 350138520 /nfs/dbraw/zinc/13/85/20/350138520.db2.gz OQYVXZNQDVHRHR-RKDXNWHRSA-N 0 3 293.327 0.683 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000134260498 350358608 /nfs/dbraw/zinc/35/86/08/350358608.db2.gz SSJHHPVHWHGPIK-NSHDSACASA-N 0 3 265.269 0.313 20 5 CCBDHN C[C@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000151709939 350508808 /nfs/dbraw/zinc/50/88/08/350508808.db2.gz RZEGSEDWLJIHJT-QMMMGPOBSA-N 0 3 252.274 0.470 20 5 CCBDHN O=[N+]([O-])c1cccc(OCCN(CCO)CCCO)c1 ZINC000109799069 186273383 /nfs/dbraw/zinc/27/33/83/186273383.db2.gz FNGADRPGPZOYCI-UHFFFAOYSA-N 0 3 284.312 0.650 20 5 CCBDHN CCN1CCCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000110997949 186341237 /nfs/dbraw/zinc/34/12/37/186341237.db2.gz HORWYDBFKXZBPJ-JTQLQIEISA-N 0 3 296.331 0.177 20 5 CCBDHN CCN1CCCC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000110992783 186339948 /nfs/dbraw/zinc/33/99/48/186339948.db2.gz AGIVOKJVAYGSRS-NSHDSACASA-N 0 3 295.343 0.782 20 5 CCBDHN C[C@@H]1C[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1C ZINC000164250031 350778053 /nfs/dbraw/zinc/77/80/53/350778053.db2.gz DJJZGEWBZBFFBW-RKDXNWHRSA-N 0 3 281.316 0.873 20 5 CCBDHN CN(C)[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000170855449 350867626 /nfs/dbraw/zinc/86/76/26/350867626.db2.gz SPIVHMLBPYPREW-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN C[C@@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169189618 350835802 /nfs/dbraw/zinc/83/58/02/350835802.db2.gz MLMXHIFQXQNGAT-RKDXNWHRSA-N 0 3 279.300 0.350 20 5 CCBDHN C[C@@H]1C[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000172623049 351000692 /nfs/dbraw/zinc/00/06/92/351000692.db2.gz BYDRANTVHLUAPE-GHMZBOCLSA-N 0 3 295.343 0.732 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000174866077 351107697 /nfs/dbraw/zinc/10/76/97/351107697.db2.gz QTUHKEXTCOQPBR-QYJAPNMZSA-N 0 3 280.328 0.884 20 5 CCBDHN CC(=O)NC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176219432 351161929 /nfs/dbraw/zinc/16/19/29/351161929.db2.gz MLKPVEMWSXXVCI-GFCCVEGCSA-N 0 3 295.343 0.639 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000228753255 352083586 /nfs/dbraw/zinc/08/35/86/352083586.db2.gz MTPOVYGPXQWYFR-LLVKDONJSA-N 0 3 271.273 0.230 20 5 CCBDHN COC[C@@H](CO)NCCc1ccc([N+](=O)[O-])cc1 ZINC000229194278 352088019 /nfs/dbraw/zinc/08/80/19/352088019.db2.gz QOYQWXLZAYSJQH-LLVKDONJSA-N 0 3 254.286 0.734 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(O)CCOC2)cc1 ZINC000229640013 352094978 /nfs/dbraw/zinc/09/49/78/352094978.db2.gz WSAZRNMEPZWMOJ-LBPRGKRZSA-N 0 3 252.270 0.836 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000237753216 352282035 /nfs/dbraw/zinc/28/20/35/352282035.db2.gz XXJCIBBZUBKYQV-SNVBAGLBSA-N 0 3 299.352 0.919 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000268221887 352817357 /nfs/dbraw/zinc/81/73/57/352817357.db2.gz WSTOISPFYSRWQE-JTQLQIEISA-N 0 3 295.343 0.803 20 5 CCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000267691837 352784148 /nfs/dbraw/zinc/78/41/48/352784148.db2.gz QXKYVJCYOYDZLA-RKDXNWHRSA-N 0 3 280.332 0.743 20 5 CCBDHN C[C@H]1C[C@@H](O)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000292450634 198293251 /nfs/dbraw/zinc/29/32/51/198293251.db2.gz PKNIIXKKDNRZOP-UWVGGRQHSA-N 0 3 254.290 0.637 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](CO)CC2)n1 ZINC000293021065 353786832 /nfs/dbraw/zinc/78/68/32/353786832.db2.gz FMIZUNOCPAAIBE-LLVKDONJSA-N 0 3 268.317 0.886 20 5 CCBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298985058 353981489 /nfs/dbraw/zinc/98/14/89/353981489.db2.gz GYWIBFSCOHRAEU-UHFFFAOYSA-N 0 3 295.343 0.290 20 5 CCBDHN CSCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305153646 354133753 /nfs/dbraw/zinc/13/37/53/354133753.db2.gz VAACOFCUKXMINC-SNVBAGLBSA-N 0 3 274.346 0.447 20 5 CCBDHN Cc1sc(C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423984444 235131116 /nfs/dbraw/zinc/13/11/16/235131116.db2.gz BVGJNXOGFXPROG-MRVPVSSYSA-N 0 3 285.325 0.683 20 5 CCBDHN C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N(C)C ZINC000338681746 355396922 /nfs/dbraw/zinc/39/69/22/355396922.db2.gz TXZQVCBPWCNGEH-VIFPVBQESA-N 0 3 283.332 0.593 20 5 CCBDHN Cc1n[n-]c(C(=O)NCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000353725595 356280797 /nfs/dbraw/zinc/28/07/97/356280797.db2.gz BFFBALCPIDVGSC-UHFFFAOYSA-N 0 3 278.272 0.561 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000362073226 138044539 /nfs/dbraw/zinc/04/45/39/138044539.db2.gz VHNOYFBLEQSGLC-UWVGGRQHSA-N 0 3 254.290 0.352 20 5 CCBDHN COCCCN(C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000273600238 192224466 /nfs/dbraw/zinc/22/44/66/192224466.db2.gz JENQJXRIENWXJZ-UHFFFAOYSA-N 0 3 269.305 0.765 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3nnc[nH]3)CC2)n1 ZINC000363614880 138092627 /nfs/dbraw/zinc/09/26/27/138092627.db2.gz WODOWRNBRWUAFB-UHFFFAOYSA-N 0 3 291.315 0.789 20 5 CCBDHN COC[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000610604885 363584173 /nfs/dbraw/zinc/58/41/73/363584173.db2.gz AYHATTXZQZGCHA-SNVBAGLBSA-N 0 3 254.290 0.902 20 5 CCBDHN CO[C@]1(CO)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000401699111 357803122 /nfs/dbraw/zinc/80/31/22/357803122.db2.gz NDVASTCLJXXDOP-CYBMUJFWSA-N 0 3 298.343 0.573 20 5 CCBDHN Cc1cc(NC[C@H]2CCCCN2CCO)ncc1[N+](=O)[O-] ZINC000450606977 236099350 /nfs/dbraw/zinc/09/93/50/236099350.db2.gz AUUKJDOXVUGVQC-GFCCVEGCSA-N 0 3 294.355 0.979 20 5 CCBDHN C[C@@H]1[C@H](O)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451452100 236161642 /nfs/dbraw/zinc/16/16/42/236161642.db2.gz GNEVYIUFQHPORW-ZYHUDNBSSA-N 0 3 281.312 0.602 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000562392665 291149292 /nfs/dbraw/zinc/14/92/92/291149292.db2.gz VXJPKNNYZRQKKD-QMMMGPOBSA-N 0 3 267.289 0.532 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H]1C ZINC000568512714 358681590 /nfs/dbraw/zinc/68/15/90/358681590.db2.gz FRQAKYAPBQPTHN-HTQZYQBOSA-N 0 3 267.289 0.151 20 5 CCBDHN CN(C)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000569422396 358762221 /nfs/dbraw/zinc/76/22/21/358762221.db2.gz JRQHSNHZLHPCEE-STQMWFEESA-N 0 3 265.313 0.702 20 5 CCBDHN CN(C)[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000570981314 358900602 /nfs/dbraw/zinc/90/06/02/358900602.db2.gz KFNIXVUCKYBXJE-KBPBESRZSA-N 0 3 295.339 0.580 20 5 CCBDHN Cc1nc(N[C@@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000589101801 359359117 /nfs/dbraw/zinc/35/91/17/359359117.db2.gz LSAYQXNFPBIUAT-SECBINFHSA-N 0 3 254.290 0.633 20 5 CCBDHN CNC(=O)[C@H](C)N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000426354553 283433326 /nfs/dbraw/zinc/43/33/26/283433326.db2.gz TYKPJDVDTRBFDE-GARJFASQSA-N 0 3 295.343 0.999 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000590445029 359468144 /nfs/dbraw/zinc/46/81/44/359468144.db2.gz PLCVKUKIJAJDHN-CABZTGNLSA-N 0 3 290.323 0.953 20 5 CCBDHN C[C@@H]1[C@H](O)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000590761993 359519744 /nfs/dbraw/zinc/51/97/44/359519744.db2.gz YUCJKMWMEAAQGM-SCDSUCTJSA-N 0 3 296.323 0.790 20 5 CCBDHN CN1CC[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000590872553 359533398 /nfs/dbraw/zinc/53/33/98/359533398.db2.gz GTUHJSOUKXOGTA-SKDRFNHKSA-N 0 3 290.323 0.953 20 5 CCBDHN CCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCN(C)C1 ZINC000592831796 359946907 /nfs/dbraw/zinc/94/69/07/359946907.db2.gz OWRBGPMJICBBOY-SNVBAGLBSA-N 0 3 296.331 0.129 20 5 CCBDHN CCCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C)C1 ZINC000592831321 359947421 /nfs/dbraw/zinc/94/74/21/359947421.db2.gz KSEXSNMHIVAZPZ-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN C[C@@H](O)CN(CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000594065802 360245083 /nfs/dbraw/zinc/24/50/83/360245083.db2.gz UXTUFEIDFMAXGE-SECBINFHSA-N 0 3 254.290 0.637 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CCN1C ZINC000594302892 360270344 /nfs/dbraw/zinc/27/03/44/360270344.db2.gz VGRIYWDQACXALG-BDAKNGLRSA-N 0 3 293.327 0.615 20 5 CCBDHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000594570630 360331759 /nfs/dbraw/zinc/33/17/59/360331759.db2.gz SQUBWZRUHMIHJH-NSHDSACASA-N 0 3 298.343 0.608 20 5 CCBDHN O=[N+]([O-])c1ccc(OC[C@@H]2CNCCO2)cc1CO ZINC000594697409 360361420 /nfs/dbraw/zinc/36/14/20/360361420.db2.gz VGSDPDBXAZAFTE-NSHDSACASA-N 0 3 268.269 0.454 20 5 CCBDHN CC(C)(CC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595109736 360438374 /nfs/dbraw/zinc/43/83/74/360438374.db2.gz LZNFFBGOWOLKBD-UHFFFAOYSA-N 0 3 288.329 0.396 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H](C)C1O ZINC000595743594 360636304 /nfs/dbraw/zinc/63/63/04/360636304.db2.gz PKEUPXNBMJPSCF-UWVGGRQHSA-N 0 3 268.317 0.740 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](CO)CN(C)C)n1 ZINC000596243962 360851185 /nfs/dbraw/zinc/85/11/85/360851185.db2.gz MWXRJSVRGAUPTN-MRVPVSSYSA-N 0 3 298.299 0.111 20 5 CCBDHN CN(C)C[C@H](CO)Nc1ncc([N+](=O)[O-])cc1F ZINC000596245393 360852187 /nfs/dbraw/zinc/85/21/87/360852187.db2.gz YWTLKBIEYXZYRB-SSDOTTSWSA-N 0 3 258.253 0.463 20 5 CCBDHN CCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000596816159 360961019 /nfs/dbraw/zinc/96/10/19/360961019.db2.gz HEPFDUCQKWLTGN-SNVBAGLBSA-N 0 3 293.327 0.970 20 5 CCBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1CO ZINC000598648539 361472545 /nfs/dbraw/zinc/47/25/45/361472545.db2.gz UMWKVUKEQBAVBP-NWDGAFQWSA-N 0 3 295.339 0.707 20 5 CCBDHN N[C@H]1C[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565232374 291364381 /nfs/dbraw/zinc/36/43/81/291364381.db2.gz FAUIBQSHQKKVRI-ZJUUUORDSA-N 0 3 294.286 0.482 20 5 CCBDHN CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000330830738 203288992 /nfs/dbraw/zinc/28/89/92/203288992.db2.gz UKIWFIRMAJRGLT-JTQLQIEISA-N 0 3 282.300 0.326 20 5 CCBDHN N[C@@H]1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000518564125 249255744 /nfs/dbraw/zinc/25/57/44/249255744.db2.gz IAMXVXYTMZXKPZ-NWDGAFQWSA-N 0 3 290.323 0.339 20 5 CCBDHN CNc1nc(C(=O)NC[C@@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000454924153 533075501 /nfs/dbraw/zinc/07/55/01/533075501.db2.gz KVNMCYVJBZYOJJ-VIFPVBQESA-N 0 3 293.327 0.713 20 5 CCBDHN CNc1nc(C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000454188603 533076863 /nfs/dbraw/zinc/07/68/63/533076863.db2.gz XALHGIMFRXZTDE-UHFFFAOYSA-N 0 3 267.289 0.323 20 5 CCBDHN CO[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1C ZINC000251583110 285147680 /nfs/dbraw/zinc/14/76/80/285147680.db2.gz FGLMCVVOSQLVBD-RAIGVLPGSA-N 0 3 298.343 0.509 20 5 CCBDHN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000479798621 285256590 /nfs/dbraw/zinc/25/65/90/285256590.db2.gz ZHOUATIMEZOXJW-ZKCHVHJHSA-N 0 3 271.298 0.363 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](O)CC1 ZINC000293017686 388976988 /nfs/dbraw/zinc/97/69/88/388976988.db2.gz FDSTXIGSQWYXCM-LBPRGKRZSA-N 0 3 281.312 0.603 20 5 CCBDHN CCN1CC[C@@H]2OCCN(c3ncc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000338731914 389116097 /nfs/dbraw/zinc/11/60/97/389116097.db2.gz CCXJDTWKZIFXKF-NEPJUHHUSA-N 0 3 293.327 0.684 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]CCC[NH3+])c([N+](=O)[O-])c1 ZINC000237613880 389192449 /nfs/dbraw/zinc/19/24/49/389192449.db2.gz IHDUGPDNXRASBG-UHFFFAOYSA-N 0 3 273.314 0.530 20 5 CCBDHN CCc1n[nH]c(C(=O)NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000264613748 389338564 /nfs/dbraw/zinc/33/85/64/389338564.db2.gz PVYBKRJAXZGNTR-SSDOTTSWSA-N 0 3 269.305 0.560 20 5 CCBDHN C[C@@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331022143 389286601 /nfs/dbraw/zinc/28/66/01/389286601.db2.gz ZACARXPLFBLCPK-SNVBAGLBSA-N 0 3 253.306 0.427 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CN1C ZINC000351943093 389721276 /nfs/dbraw/zinc/72/12/76/389721276.db2.gz DOLACCZRFHDOMI-NEPJUHHUSA-N 0 3 294.355 0.781 20 5 CCBDHN CCN1CCC(NC(=O)Cn2cnc([N+](=O)[O-])c2)CC1 ZINC000351879650 389706037 /nfs/dbraw/zinc/70/60/37/389706037.db2.gz AUQFTRRSEOWAPD-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN O=C(COC1CNC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000429766972 389769967 /nfs/dbraw/zinc/76/99/67/389769967.db2.gz DCLWOJYELKVTNF-UHFFFAOYSA-N 0 3 294.311 0.111 20 5 CCBDHN C[C@@H](NC(=O)COC1CNC1)c1cccc([N+](=O)[O-])c1 ZINC000429980823 389777890 /nfs/dbraw/zinc/77/78/90/389777890.db2.gz CWMHMPLJJIDRSJ-SECBINFHSA-N 0 3 279.296 0.760 20 5 CCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000408039097 389821342 /nfs/dbraw/zinc/82/13/42/389821342.db2.gz SZOPKXNIWMGSGN-ZJUUUORDSA-N 0 3 295.343 0.741 20 5 CCBDHN C[C@@]1(F)CNCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000420335105 389985213 /nfs/dbraw/zinc/98/52/13/389985213.db2.gz PBKNHJKMXAFVJG-LLVKDONJSA-N 0 3 271.296 0.425 20 5 CCBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN(C2CC2)C1 ZINC000450541409 389997322 /nfs/dbraw/zinc/99/73/22/389997322.db2.gz DJOCEPQQFWFOIC-SECBINFHSA-N 0 3 292.343 0.718 20 5 CCBDHN CN(CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000490328646 390105360 /nfs/dbraw/zinc/10/53/60/390105360.db2.gz UCXXDHYYUDDYCN-UHFFFAOYSA-N 0 3 296.331 0.185 20 5 CCBDHN CCOC(=O)N[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000496004250 390281687 /nfs/dbraw/zinc/28/16/87/390281687.db2.gz WNRIWBHQINQEIS-DTWKUNHWSA-N 0 3 276.289 0.966 20 5 CCBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000565548550 390524460 /nfs/dbraw/zinc/52/44/60/390524460.db2.gz HVUXUOJQQKDWGR-VIFPVBQESA-N 0 3 293.327 0.569 20 5 CCBDHN CN[C@@H](C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000566473788 390619539 /nfs/dbraw/zinc/61/95/39/390619539.db2.gz KQCLWQNWTIQGMP-QMMMGPOBSA-N 0 3 267.285 0.828 20 5 CCBDHN NC1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000571909179 390759026 /nfs/dbraw/zinc/75/90/26/390759026.db2.gz FJWSFQJOUXDKBK-UHFFFAOYSA-N 0 3 265.269 0.581 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)NC[C@H]2C)n1 ZINC000578647903 390896925 /nfs/dbraw/zinc/89/69/25/390896925.db2.gz NGPIIRQKUZDWKJ-RKDXNWHRSA-N 0 3 281.316 0.634 20 5 CCBDHN C[C@@H](O)CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248452162 131115689 /nfs/dbraw/zinc/11/56/89/131115689.db2.gz JJRBZNQWCADAEA-GHMZBOCLSA-N 0 3 284.312 0.647 20 5 CCBDHN C[C@H]1NCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000262798747 131263091 /nfs/dbraw/zinc/26/30/91/131263091.db2.gz OSAIYRJYRMKYGJ-BDAKNGLRSA-N 0 3 267.289 0.000 20 5 CCBDHN C[C@H](O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266962115 131804416 /nfs/dbraw/zinc/80/44/16/131804416.db2.gz XYDYSAMRVUCYOQ-JTQLQIEISA-N 0 3 268.317 0.884 20 5 CCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357057283 144055022 /nfs/dbraw/zinc/05/50/22/144055022.db2.gz PMFAKFDMYHOXLO-NXEZZACHSA-N 0 3 295.343 0.741 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358051822 144145896 /nfs/dbraw/zinc/14/58/96/144145896.db2.gz RXGUVARRFZLOEA-CQSZACIVSA-N 0 3 293.323 0.700 20 5 CCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCCC1 ZINC000548180944 286014554 /nfs/dbraw/zinc/01/45/54/286014554.db2.gz ZNOZVEUTKZDZSY-SECBINFHSA-N 0 3 281.316 0.542 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000548498377 286043830 /nfs/dbraw/zinc/04/38/30/286043830.db2.gz LTLIUPSADDMBAK-SECBINFHSA-N 0 3 281.316 0.400 20 5 CCBDHN COC[C@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285056995 196186844 /nfs/dbraw/zinc/18/68/44/196186844.db2.gz IRKKDGIKGCUYSR-PSASIEDQSA-N 0 3 269.301 0.835 20 5 CCBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000285223797 196225872 /nfs/dbraw/zinc/22/58/72/196225872.db2.gz FLNZGVCQIOUROB-UHFFFAOYSA-N 0 3 267.289 0.532 20 5 CCBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCCNC2)cc1 ZINC000071397268 176150755 /nfs/dbraw/zinc/15/07/55/176150755.db2.gz XRXRUROWNBKEKR-LLVKDONJSA-N 0 3 299.352 0.766 20 5 CCBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](C)O ZINC000352194971 276350535 /nfs/dbraw/zinc/35/05/35/276350535.db2.gz NAQUSNVGDPJVSX-SNVBAGLBSA-N 0 3 269.301 0.459 20 5 CCBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285087992 278187072 /nfs/dbraw/zinc/18/70/72/278187072.db2.gz IKOQEFNAZWGVMT-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN CC(C)[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000129967485 280172035 /nfs/dbraw/zinc/17/20/35/280172035.db2.gz SWDQSUHXPPUXHR-LLVKDONJSA-N 0 3 283.332 0.494 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[NH3+] ZINC000035346977 281262166 /nfs/dbraw/zinc/26/21/66/281262166.db2.gz OBOPBMBDVQDNAR-UHFFFAOYSA-N 0 3 259.287 0.140 20 5 CCBDHN CN(C)CCOCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000539750705 333689422 /nfs/dbraw/zinc/68/94/22/333689422.db2.gz YXHSHMHVAXVGKT-UHFFFAOYSA-N 0 3 281.312 0.903 20 5 CCBDHN O=C(CNC1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000577635028 335383684 /nfs/dbraw/zinc/38/36/84/335383684.db2.gz LTAVMSVTZYGOBN-UHFFFAOYSA-N 0 3 276.296 0.627 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000157368792 526552412 /nfs/dbraw/zinc/55/24/12/526552412.db2.gz JFHXHCGPGSIOSX-NSHDSACASA-N 0 3 280.284 0.705 20 5 CCBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)CN1 ZINC000366533087 526968584 /nfs/dbraw/zinc/96/85/84/526968584.db2.gz TXVIJFMZDMERFK-UWVGGRQHSA-N 0 3 297.286 0.790 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000768765275 581654626 /nfs/dbraw/zinc/65/46/26/581654626.db2.gz CJNQUQNWELIUSH-ICCXJUOJSA-N 0 3 266.297 0.941 20 5 CCBDHN CC(C)CN1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813113541 614123290 /nfs/dbraw/zinc/12/32/90/614123290.db2.gz FQAZHTPXEUIXLL-VHSXEESVSA-N 0 3 272.301 0.699 20 5 CCBDHN CC1(N2CCOCC2)CCN(CC[N+](=O)[O-])CC1 ZINC000931252184 614913032 /nfs/dbraw/zinc/91/30/32/614913032.db2.gz CSEPJZPJJXKNRI-UHFFFAOYSA-N 0 3 257.334 0.450 20 5 CCBDHN CCN1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@H](C)C1 ZINC000910283681 615121080 /nfs/dbraw/zinc/12/10/80/615121080.db2.gz LHPMHNZWHUGEIG-SNVBAGLBSA-N 0 3 295.343 0.885 20 5 CCBDHN CCOC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])on1 ZINC000835454199 615400437 /nfs/dbraw/zinc/40/04/37/615400437.db2.gz INLKGGZUGCDSTD-ZCFIWIBFSA-N 0 3 272.213 0.673 20 5 CCBDHN CC[C@@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000916570689 615490717 /nfs/dbraw/zinc/49/07/17/615490717.db2.gz NZLGOQRYHXCJOK-VIFPVBQESA-N 0 3 297.311 0.902 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000832206485 616349800 /nfs/dbraw/zinc/34/98/00/616349800.db2.gz DFWCEUBMVMPVEY-CYBMUJFWSA-N 0 3 297.286 0.530 20 5 CCBDHN CO[C@@H]1COC[C@@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839201605 616821404 /nfs/dbraw/zinc/82/14/04/616821404.db2.gz WHHXARAZBCHLIB-YNEHKIRRSA-N 0 3 282.296 0.632 20 5 CCBDHN C[NH2+]CC[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764712 616958938 /nfs/dbraw/zinc/95/89/38/616958938.db2.gz YGHGRLDNJMYNHC-UHFFFAOYSA-N 0 3 289.238 0.902 20 5 CCBDHN COc1cccc([C@@H]2CN(CC[N+](=O)[O-])CCN2)c1 ZINC000931550069 630791351 /nfs/dbraw/zinc/79/13/51/630791351.db2.gz ZZKKCWLAKHBRKF-ZDUSSCGKSA-N 0 3 265.313 0.918 20 5 CCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCN(CCF)C2 ZINC000981764858 631317089 /nfs/dbraw/zinc/31/70/89/631317089.db2.gz HTIUIQLMGQJVSZ-GHMZBOCLSA-N 0 3 285.319 0.546 20 5 CCBDHN C[C@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000807271539 640821535 /nfs/dbraw/zinc/82/15/35/640821535.db2.gz DDKRCXGVEJGWOR-QMMMGPOBSA-N 0 3 267.289 0.532 20 5 CCBDHN CC(COC(=O)CC1(CS(C)(=O)=O)CC1)[N+](=O)[O-] ZINC000813102845 641022076 /nfs/dbraw/zinc/02/20/76/641022076.db2.gz KEAAIIWRIJZZHC-QMMMGPOBSA-N 0 3 279.314 0.410 20 5 CCBDHN CC(COC(=O)CCc1ccccc1C(N)=O)[N+](=O)[O-] ZINC000813105512 641022241 /nfs/dbraw/zinc/02/22/41/641022241.db2.gz NQECSJPTEPYRCU-SECBINFHSA-N 0 3 280.280 0.927 20 5 CCBDHN CC(COC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)[N+](=O)[O-] ZINC000813107188 641022979 /nfs/dbraw/zinc/02/29/79/641022979.db2.gz METYFAVORORSEI-KOLCDFICSA-N 0 3 284.312 0.843 20 5 CCBDHN Cc1csc2ncc(C(=O)OCC(C)[N+](=O)[O-])c(=O)n12 ZINC000813108299 641023047 /nfs/dbraw/zinc/02/30/47/641023047.db2.gz CZOPTZFZWJXLGU-LURJTMIESA-N 0 3 297.292 0.886 20 5 CCBDHN COc1c2cnn(C)c2ncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113211 641024302 /nfs/dbraw/zinc/02/43/02/641024302.db2.gz OJPBTCDSSVDMJV-SSDOTTSWSA-N 0 3 294.267 0.799 20 5 CCBDHN CC(COC(=O)CCCNC(=O)C1CC1)[N+](=O)[O-] ZINC000813114028 641024746 /nfs/dbraw/zinc/02/47/46/641024746.db2.gz LDLVRRMPSMHNHC-QMMMGPOBSA-N 0 3 258.274 0.501 20 5 CCBDHN CC(COC(=O)Cc1nc(C2CC2)nn1C)[N+](=O)[O-] ZINC000842802382 642956307 /nfs/dbraw/zinc/95/63/07/642956307.db2.gz XIUPYMFCGVGUQQ-SSDOTTSWSA-N 0 3 268.273 0.443 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12)[N+](=O)[O-] ZINC000851037394 643828897 /nfs/dbraw/zinc/82/88/97/643828897.db2.gz UTNWYKDHTIOHOL-DBIOUOCHSA-N 0 3 284.312 0.890 20 5 CCBDHN Cc1ccc(CNC(=O)C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000870961711 646062930 /nfs/dbraw/zinc/06/29/30/646062930.db2.gz DZZCHRGNCYYHDJ-GFCCVEGCSA-N 0 3 293.323 0.898 20 5 CCBDHN CC(COC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F)[N+](=O)[O-] ZINC000873533309 646386682 /nfs/dbraw/zinc/38/66/82/646386682.db2.gz WNRVEENNLSOSSV-VQVTYTSYSA-N 0 3 298.217 0.509 20 5 CCBDHN O=C1NCCC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000879918122 647128234 /nfs/dbraw/zinc/12/82/34/647128234.db2.gz RXKZCGRIMRPGOH-UHFFFAOYSA-N 0 3 293.327 0.393 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000928449015 648637006 /nfs/dbraw/zinc/63/70/06/648637006.db2.gz DIRURVLNWJQQFQ-SCZZXKLOSA-N 0 3 267.289 0.000 20 5 CCBDHN O=[N+]([O-])CCN[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000930903561 648922765 /nfs/dbraw/zinc/92/27/65/648922765.db2.gz NJHUSYTWGOYUGI-GHMZBOCLSA-N 0 3 258.318 0.563 20 5 CCBDHN Cc1nc(Cl)nc(-n2nccc2CN)c1[N+](=O)[O-] ZINC001155123852 800914618 /nfs/dbraw/zinc/91/46/18/800914618.db2.gz LKORCAOCIHKNDK-UHFFFAOYSA-N 0 3 268.664 0.991 20 5 CCBDHN O=C(c1csc([N+](=O)[O-])c1)N1CC(N[C@H]2CCOC2)C1 ZINC001157006456 801286743 /nfs/dbraw/zinc/28/67/43/801286743.db2.gz NUIDYEWKIKSFLI-VIFPVBQESA-N 0 3 297.336 0.859 20 5 CCBDHN NCc1cn(-c2c(F)c([N+](=O)[O-])cc[n+]2[O-])cn1 ZINC001162296813 802303492 /nfs/dbraw/zinc/30/34/92/802303492.db2.gz NKCUNFJZGJDKOV-UHFFFAOYSA-N 0 3 253.193 0.012 20 5 CCBDHN NCc1ccnn1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001162598408 802376942 /nfs/dbraw/zinc/37/69/42/802376942.db2.gz YJANKMXYGKPSNA-UHFFFAOYSA-N 0 3 259.229 0.282 20 5 CCBDHN COC(=O)c1cnc(N2CC(C)(N(C)C)C2)c([N+](=O)[O-])c1 ZINC001165118406 802785552 /nfs/dbraw/zinc/78/55/52/802785552.db2.gz UNTSQIIXBPWOIR-UHFFFAOYSA-N 0 3 294.311 0.917 20 5 CCBDHN O=[N+]([O-])CCNCCc1ccccc1N1CCOCC1 ZINC001262575578 809351944 /nfs/dbraw/zinc/35/19/44/809351944.db2.gz TWLZCGYLMNVXEO-UHFFFAOYSA-N 0 3 279.340 0.932 20 5 CCBDHN O=C(NCCN(C/C=C\Cl)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267326728 811161392 /nfs/dbraw/zinc/16/13/92/811161392.db2.gz ZZUTVAVANITYKE-UGJREKFNSA-N 0 3 287.747 0.985 20 5 CCBDHN CN1CCN(CCCNc2cnc([N+](=O)[O-])cn2)CC1 ZINC001161708247 816171773 /nfs/dbraw/zinc/17/17/73/816171773.db2.gz FLZHOYCFMDLBTO-UHFFFAOYSA-N 0 3 280.332 0.434 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(NC(=N)N2CCN(C)CC2)n1 ZINC001168736338 818545092 /nfs/dbraw/zinc/54/50/92/818545092.db2.gz FXZHELKSTHADJR-UHFFFAOYSA-N 0 3 278.316 0.892 20 5 CCBDHN Cc1cc(NC(=N)N2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001168737182 818560358 /nfs/dbraw/zinc/56/03/58/818560358.db2.gz WFUJFSMHDGHQEA-UHFFFAOYSA-N 0 3 278.316 0.892 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N[C@@H]2C=CS(=O)(=O)C2)C1 ZINC001168966197 836087912 /nfs/dbraw/zinc/08/79/12/836087912.db2.gz GZOZHUJARWDYBW-OPRDCNLKSA-N 0 3 260.315 0.332 20 5 CCBDHN C[C@H](Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-])[C@@H]1CNCCO1 ZINC001170562312 838107957 /nfs/dbraw/zinc/10/79/57/838107957.db2.gz IEHAIIIYYVVUDU-CBAPKCEASA-N 0 3 286.263 0.156 20 5 CCBDHN C[C@@H](Nc1cc([N+](=O)[O-])ccn1)[C@H]1CNCCO1 ZINC001159489760 839304400 /nfs/dbraw/zinc/30/44/00/839304400.db2.gz RKAZQQSBQRFXIC-PSASIEDQSA-N 0 3 252.274 0.779 20 5 CCBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccns1 ZINC000716019053 841429967 /nfs/dbraw/zinc/42/99/67/841429967.db2.gz DICNFBOOSDVSJL-SCZZXKLOSA-N 0 3 297.340 0.960 20 5 CCBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC(N[C@H]2CCOC2)C1 ZINC001179007986 842956867 /nfs/dbraw/zinc/95/68/67/842956867.db2.gz GEQNGUSKCQVIBL-QMMMGPOBSA-N 0 3 280.284 0.126 20 5 CCBDHN CCCN1CC[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001301380092 907966138 /nfs/dbraw/zinc/96/61/38/907966138.db2.gz VSCYUNILKAQAFY-JTQLQIEISA-N 0 3 293.327 0.786 20 5 CCBDHN COCCN(C)CCNc1c([N+](=O)[O-])cnn1C ZINC001334920852 919837345 /nfs/dbraw/zinc/83/73/45/919837345.db2.gz MWTZPNREGAKSHD-UHFFFAOYSA-N 0 3 257.294 0.318 20 5 CCBDHN CNC(=O)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336704074 920940223 /nfs/dbraw/zinc/94/02/23/920940223.db2.gz NTQNIWIEVQBYSH-UHFFFAOYSA-N 0 3 280.284 0.259 20 5 CCBDHN Cc1cc(C(=O)N[C@@H]2COC3(CNC3)C2)ccc1[N+](=O)[O-] ZINC001340732690 922186888 /nfs/dbraw/zinc/18/68/88/922186888.db2.gz BIZAGXAQQQUPDV-NSHDSACASA-N 0 3 291.307 0.764 20 5 CCBDHN CN(CCO)CCN(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC001343189909 923231728 /nfs/dbraw/zinc/23/17/28/923231728.db2.gz WPXOTRMSYRNWSO-UHFFFAOYSA-N 0 3 293.327 0.603 20 5 CCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN(C)C ZINC001347786534 924536637 /nfs/dbraw/zinc/53/66/37/924536637.db2.gz XCMDDVHRUXUIEJ-VIFPVBQESA-N 0 3 296.327 0.289 20 5 CCBDHN C[NH2+][C@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001350166682 925138249 /nfs/dbraw/zinc/13/82/49/925138249.db2.gz JUUMKPIPOUBKGQ-MRVPVSSYSA-N 0 3 288.329 0.266 20 5 CCBDHN C[NH2+][C@@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001350166688 925138322 /nfs/dbraw/zinc/13/83/22/925138322.db2.gz JUUMKPIPOUBKGQ-QMMMGPOBSA-N 0 3 288.329 0.266 20 5 CCBDHN COC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090511224 349437736 /nfs/dbraw/zinc/43/77/36/349437736.db2.gz SRBMIGQHLLURFX-UHFFFAOYSA-N 0 3 281.312 0.867 20 5 CCBDHN CC1(OCC(=O)NCc2cccc([N+](=O)[O-])c2)CNC1 ZINC000098060763 349651088 /nfs/dbraw/zinc/65/10/88/349651088.db2.gz XVVVOCSZSYBTNH-UHFFFAOYSA-N 0 3 279.296 0.590 20 5 CCBDHN CN1CC[C@](O)(CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000358145513 529809493 /nfs/dbraw/zinc/80/94/93/529809493.db2.gz WAAMHMKWPICLTD-ZDUSSCGKSA-N 0 3 265.313 0.751 20 5 CCBDHN Cc1cnc(NC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000358303228 232076668 /nfs/dbraw/zinc/07/66/68/232076668.db2.gz KKGNDYJWWLCVMS-LBPRGKRZSA-N 0 3 266.301 0.777 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H](O)C1CC1 ZINC000602777244 362795224 /nfs/dbraw/zinc/79/52/24/362795224.db2.gz CJYHRARTURMVFU-NSHDSACASA-N 0 3 268.317 0.802 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccco2)c1 ZINC000037882870 348215410 /nfs/dbraw/zinc/21/54/10/348215410.db2.gz UXZBFQVNKJJDNO-JTQLQIEISA-N 0 3 266.257 0.535 20 5 CCBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000037889114 348215933 /nfs/dbraw/zinc/21/59/33/348215933.db2.gz YGTGNWHXKFQREF-GWCFXTLKSA-N 0 3 291.311 0.898 20 5 CCBDHN C[C@H](NCCC(=O)NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000411457397 232887810 /nfs/dbraw/zinc/88/78/10/232887810.db2.gz NJKQBOTZSCENRF-QMMMGPOBSA-N 0 3 280.284 0.830 20 5 CCBDHN CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000345610110 137242506 /nfs/dbraw/zinc/24/25/06/137242506.db2.gz VCZWMCGGTQRHAQ-UHFFFAOYSA-N 0 3 267.289 0.484 20 5 CCBDHN C[C@@]1(CO)C[C@@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000602906295 362878091 /nfs/dbraw/zinc/87/80/91/362878091.db2.gz IUBANDBPRHJSGX-KGLIPLIRSA-N 0 3 280.324 0.955 20 5 CCBDHN COC(=O)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000347011507 137315767 /nfs/dbraw/zinc/31/57/67/137315767.db2.gz GLIHQPKMLJTQDH-UWVGGRQHSA-N 0 3 282.300 0.675 20 5 CCBDHN CO[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000602961536 362909102 /nfs/dbraw/zinc/90/91/02/362909102.db2.gz BJPKTFAUTCRHGZ-WCQYABFASA-N 0 3 298.343 0.571 20 5 CCBDHN O=C(COC1CNC1)NCCc1ccccc1[N+](=O)[O-] ZINC000347868622 137361228 /nfs/dbraw/zinc/36/12/28/137361228.db2.gz IPMVRDRQRRPKFP-UHFFFAOYSA-N 0 3 279.296 0.242 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)N1C ZINC000339628074 215275374 /nfs/dbraw/zinc/27/53/74/215275374.db2.gz GPMGQQDOTCBGTM-LOWVWBTDSA-N 0 3 297.359 0.177 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC23CCC3)c1 ZINC000081545378 349274108 /nfs/dbraw/zinc/27/41/08/349274108.db2.gz DCFHDLZJUOIWGM-LLVKDONJSA-N 0 3 266.301 0.781 20 5 CCBDHN Cc1c(CS(=O)(=O)C(C)C(N)=O)cccc1[N+](=O)[O-] ZINC000121297001 350032109 /nfs/dbraw/zinc/03/21/09/350032109.db2.gz JKCVGTFTGYLXOV-QMMMGPOBSA-N 0 3 286.309 0.692 20 5 CCBDHN CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000124294610 350093902 /nfs/dbraw/zinc/09/39/02/350093902.db2.gz ZRXWDHWRCWEBJI-LBPRGKRZSA-N 0 3 292.339 0.239 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)C[C@H]1CN ZINC000124298482 350094662 /nfs/dbraw/zinc/09/46/62/350094662.db2.gz MFLQPSULSDSFRQ-GFCCVEGCSA-N 0 3 292.339 0.618 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CN1C1CC1 ZINC000126117855 350138609 /nfs/dbraw/zinc/13/86/09/350138609.db2.gz OQYVXZNQDVHRHR-IUCAKERBSA-N 0 3 293.327 0.683 20 5 CCBDHN CN(C)[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000131464542 350276324 /nfs/dbraw/zinc/27/63/24/350276324.db2.gz QFNVITFEJOMCAD-QMMMGPOBSA-N 0 3 267.289 0.484 20 5 CCBDHN Cc1cnc(NC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000134267959 350359296 /nfs/dbraw/zinc/35/92/96/350359296.db2.gz AVNPKWMTBOJKNI-VIFPVBQESA-N 0 3 252.274 0.699 20 5 CCBDHN CCN(C)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151110604 350493023 /nfs/dbraw/zinc/49/30/23/350493023.db2.gz PWQPKLVMTQCTQD-UHFFFAOYSA-N 0 3 284.320 0.042 20 5 CCBDHN COCCNCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000092509875 180398045 /nfs/dbraw/zinc/39/80/45/180398045.db2.gz UBHVWNLRRBVYEO-UHFFFAOYSA-N 0 3 267.285 0.447 20 5 CCBDHN CCN1CCCC[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000154958676 350605423 /nfs/dbraw/zinc/60/54/23/350605423.db2.gz JXWIXLGNVRGGKB-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN CCN1CCCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154958676 350605424 /nfs/dbraw/zinc/60/54/24/350605424.db2.gz JXWIXLGNVRGGKB-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN CCN1CCCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000110997946 186341689 /nfs/dbraw/zinc/34/16/89/186341689.db2.gz HORWYDBFKXZBPJ-SNVBAGLBSA-N 0 3 296.331 0.177 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCC[C@@H]1O ZINC000159809929 350689487 /nfs/dbraw/zinc/68/94/87/350689487.db2.gz OLRGEPYIUYZVGP-MNOVXSKESA-N 0 3 268.317 0.884 20 5 CCBDHN CNCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169189275 350835959 /nfs/dbraw/zinc/83/59/59/350835959.db2.gz ACFVYZFHCVPXMV-SECBINFHSA-N 0 3 279.300 0.222 20 5 CCBDHN COCCN(CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000170804125 350863093 /nfs/dbraw/zinc/86/30/93/350863093.db2.gz GJGYEOAHZWCTHL-UHFFFAOYSA-N 0 3 284.312 0.914 20 5 CCBDHN CCc1n[nH]c(C(=O)NCCN(C)CC)c1[N+](=O)[O-] ZINC000172231325 350968463 /nfs/dbraw/zinc/96/84/63/350968463.db2.gz KHSJTZMBCTYGNH-UHFFFAOYSA-N 0 3 269.305 0.562 20 5 CCBDHN CN1CCN(C)[C@@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000225329612 352002291 /nfs/dbraw/zinc/00/22/91/352002291.db2.gz RFDJLYJLTCSUKZ-AWEZNQCLSA-N 0 3 278.356 0.930 20 5 CCBDHN CO[C@H](CN)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000227365363 352047614 /nfs/dbraw/zinc/04/76/14/352047614.db2.gz SGWZSGVDESCGGE-LLVKDONJSA-N 0 3 267.285 0.527 20 5 CCBDHN CN(C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230869928 352120822 /nfs/dbraw/zinc/12/08/22/352120822.db2.gz JQQJORKYHBTKNT-SECBINFHSA-N 0 3 293.327 0.738 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CSCCN1 ZINC000603420632 363123580 /nfs/dbraw/zinc/12/35/80/363123580.db2.gz VHAGSHOIWJFIJG-SECBINFHSA-N 0 3 268.342 0.837 20 5 CCBDHN COCCNCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237183001 352250455 /nfs/dbraw/zinc/25/04/55/352250455.db2.gz KJRNHXXJUBXZRQ-UHFFFAOYSA-N 0 3 296.327 0.359 20 5 CCBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1CO ZINC000248897337 352465372 /nfs/dbraw/zinc/46/53/72/352465372.db2.gz GTILDGPHKZEZQG-ONGXEEELSA-N 0 3 254.290 0.494 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[C@@H]1O ZINC000270027646 352897619 /nfs/dbraw/zinc/89/76/19/352897619.db2.gz BLLDEIBLQSLAMP-JQWIXIFHSA-N 0 3 268.317 0.884 20 5 CCBDHN Cc1c(C(=O)NC[C@@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000152604158 188031617 /nfs/dbraw/zinc/03/16/17/188031617.db2.gz RFELFSFNSHEZMT-CQSZACIVSA-N 0 3 295.339 0.946 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000152603660 188031709 /nfs/dbraw/zinc/03/17/09/188031709.db2.gz XUSYEOIJODSULO-CYBMUJFWSA-N 0 3 296.327 0.219 20 5 CCBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cn[nH]c1 ZINC000275144631 353188791 /nfs/dbraw/zinc/18/87/91/353188791.db2.gz FHRSQLAIDMBNLB-QMMMGPOBSA-N 0 3 250.262 0.865 20 5 CCBDHN CCN1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000286604020 353599498 /nfs/dbraw/zinc/59/94/98/353599498.db2.gz RGXCZFQNJDTFEB-LLVKDONJSA-N 0 3 267.333 0.817 20 5 CCBDHN C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N(C)C1CC1 ZINC000290695821 353742970 /nfs/dbraw/zinc/74/29/70/353742970.db2.gz VEJWJJZSARODBD-QMMMGPOBSA-N 0 3 293.327 0.983 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N[C@@H](CO)CN1CCCCC1 ZINC000295649049 353909922 /nfs/dbraw/zinc/90/99/22/353909922.db2.gz GBMXSVXMRUIPNF-SNVBAGLBSA-N 0 3 283.332 0.587 20 5 CCBDHN Cc1n[nH]c(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000330518013 354390342 /nfs/dbraw/zinc/39/03/42/354390342.db2.gz GANYBAQEDQDCAP-UHFFFAOYSA-N 0 3 281.316 0.794 20 5 CCBDHN Cc1[nH]nc(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000330518013 354390345 /nfs/dbraw/zinc/39/03/45/354390345.db2.gz GANYBAQEDQDCAP-UHFFFAOYSA-N 0 3 281.316 0.794 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCC2=CCN(C)CC2)n1 ZINC000331169805 354475884 /nfs/dbraw/zinc/47/58/84/354475884.db2.gz FIEORWBLISGEFK-UHFFFAOYSA-N 0 3 293.327 0.803 20 5 CCBDHN Cc1n[nH]c(C(=O)N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000331513845 354595776 /nfs/dbraw/zinc/59/57/76/354595776.db2.gz SOIBEJADYMOYBV-UHFFFAOYSA-N 0 3 281.316 0.793 20 5 CCBDHN Cc1[nH]nc(C(=O)N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000331513845 354595778 /nfs/dbraw/zinc/59/57/78/354595778.db2.gz SOIBEJADYMOYBV-UHFFFAOYSA-N 0 3 281.316 0.793 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000423995117 235134661 /nfs/dbraw/zinc/13/46/61/235134661.db2.gz UKNBDMHXXDKNGV-VIFPVBQESA-N 0 3 299.714 0.966 20 5 CCBDHN COCCCN(C)CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000345324650 355799036 /nfs/dbraw/zinc/79/90/36/355799036.db2.gz HELGPLFUDFTLCR-UHFFFAOYSA-N 0 3 299.331 0.026 20 5 CCBDHN C[C@@H]1CCN(C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000354084653 356344813 /nfs/dbraw/zinc/34/48/13/356344813.db2.gz FJLBBLOQSBQZHG-SECBINFHSA-N 0 3 253.306 0.859 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC([C@H]3CCOC3)C2)c1 ZINC000619506707 366269955 /nfs/dbraw/zinc/26/99/55/366269955.db2.gz WDHZTIXFCNPJSH-GWCFXTLKSA-N 0 3 296.327 0.121 20 5 CCBDHN Nc1nc(N[C@H]2CCN(CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000609384447 363493583 /nfs/dbraw/zinc/49/35/83/363493583.db2.gz VNSCCVKFJVTLFI-VIFPVBQESA-N 0 3 278.316 0.694 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCCN1CCO ZINC000450617611 236101500 /nfs/dbraw/zinc/10/15/00/236101500.db2.gz RRXNOTOTHCCUCL-SNVBAGLBSA-N 0 3 283.332 0.587 20 5 CCBDHN Cc1c(C(=O)N[C@@H](CO)CN(C)C)cccc1[N+](=O)[O-] ZINC000588866148 359344586 /nfs/dbraw/zinc/34/45/86/359344586.db2.gz CUBMDECLLLMFHR-SNVBAGLBSA-N 0 3 281.312 0.556 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000588866911 359344740 /nfs/dbraw/zinc/34/47/40/359344740.db2.gz SLZIHDAKIQYZTM-JTQLQIEISA-N 0 3 297.311 0.012 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000589941642 359411544 /nfs/dbraw/zinc/41/15/44/359411544.db2.gz ZYAUVIYFRGWMGA-SKDRFNHKSA-N 0 3 278.312 0.709 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000590442932 359465463 /nfs/dbraw/zinc/46/54/63/359465463.db2.gz IEWQBQZYHNSMNI-ZJUUUORDSA-N 0 3 293.327 0.587 20 5 CCBDHN O=C(COC1CNC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000563075717 291188377 /nfs/dbraw/zinc/18/83/77/291188377.db2.gz OCAHVDDCFVJTFT-UHFFFAOYSA-N 0 3 295.295 0.078 20 5 CCBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1cccnc1[N+](=O)[O-] ZINC000591986251 359719992 /nfs/dbraw/zinc/71/99/92/359719992.db2.gz TYZWXLJOGTWTED-JTQLQIEISA-N 0 3 293.327 0.546 20 5 CCBDHN CN(C)[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000593990318 360228878 /nfs/dbraw/zinc/22/88/78/360228878.db2.gz DHXJDWZQUCPJRF-STQMWFEESA-N 0 3 283.303 0.841 20 5 CCBDHN O=[N+]([O-])c1ncccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594604143 360338615 /nfs/dbraw/zinc/33/86/15/360338615.db2.gz RSRVSZUNRCPTSY-VHSXEESVSA-N 0 3 264.285 0.245 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@@]2(OCCO)CCOC2)c1 ZINC000594975875 360429126 /nfs/dbraw/zinc/42/91/26/360429126.db2.gz WGKOWDOQQFBOED-AWEZNQCLSA-N 0 3 296.323 0.852 20 5 CCBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[C@H]1F ZINC000595260966 360464603 /nfs/dbraw/zinc/46/46/03/360464603.db2.gz PHWOQJCLCQHMMF-RNFRBKRXSA-N 0 3 257.221 0.699 20 5 CCBDHN N[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595260936 360464753 /nfs/dbraw/zinc/46/47/53/360464753.db2.gz OCXQRADCPNXYTD-NXEZZACHSA-N 0 3 297.286 0.871 20 5 CCBDHN NC(=O)c1ccc(CN[C@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595616969 360599135 /nfs/dbraw/zinc/59/91/35/360599135.db2.gz PTSZHYCITQMMHA-GFCCVEGCSA-N 0 3 293.323 0.944 20 5 CCBDHN CN1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596055692 360782923 /nfs/dbraw/zinc/78/29/23/360782923.db2.gz LIIFUXNJQCEKQD-UHFFFAOYSA-N 0 3 278.312 0.836 20 5 CCBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000597603496 361158995 /nfs/dbraw/zinc/15/89/95/361158995.db2.gz CQAPSYMVRYKZOM-VIFPVBQESA-N 0 3 281.316 0.874 20 5 CCBDHN CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCN(CC)C1 ZINC000598042273 361322300 /nfs/dbraw/zinc/32/23/00/361322300.db2.gz WXEFYBNZLVQIHW-VIFPVBQESA-N 0 3 281.316 0.874 20 5 CCBDHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000598648952 361472036 /nfs/dbraw/zinc/47/20/36/361472036.db2.gz JEQBSKLZBBJPOZ-WZRBSPASSA-N 0 3 298.343 0.103 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC000599531018 361727278 /nfs/dbraw/zinc/72/72/78/361727278.db2.gz DTGDFMVBCHEXCW-STQMWFEESA-N 0 3 280.324 0.670 20 5 CCBDHN O=[N+]([O-])c1ccc(CN2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC000599531410 361728347 /nfs/dbraw/zinc/72/83/47/361728347.db2.gz WQLAYUKEGWTEFG-RYUDHWBXSA-N 0 3 266.297 0.627 20 5 CCBDHN CCN1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302135591 201357519 /nfs/dbraw/zinc/35/75/19/201357519.db2.gz ZWDIMSJPVAMTPS-LLVKDONJSA-N 0 3 294.359 0.823 20 5 CCBDHN C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCCC1 ZINC000565181887 291353322 /nfs/dbraw/zinc/35/33/22/291353322.db2.gz PEVAINIDSOYHFE-VIFPVBQESA-N 0 3 293.327 0.616 20 5 CCBDHN Cc1nn(C)c(C(=O)N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000330676430 203106165 /nfs/dbraw/zinc/10/61/65/203106165.db2.gz KHEJGNGMCWLBOS-ZETCQYMHSA-N 0 3 269.305 0.317 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000330905863 203375535 /nfs/dbraw/zinc/37/55/35/203375535.db2.gz MYEYCTNQPLSHPN-QWRGUYRKSA-N 0 3 295.343 0.780 20 5 CCBDHN CO[C@@H]1COC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000459835238 249067553 /nfs/dbraw/zinc/06/75/53/249067553.db2.gz XGVDNMIBZCABEZ-QWHCGFSZSA-N 0 3 282.296 0.977 20 5 CCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCCN1 ZINC000516651842 249175043 /nfs/dbraw/zinc/17/50/43/249175043.db2.gz KJAVYQVRRNIIMK-JTQLQIEISA-N 0 3 267.289 0.050 20 5 CCBDHN CNc1nc(C(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000454352742 533076491 /nfs/dbraw/zinc/07/64/91/533076491.db2.gz SSPDGLAQSVWOKS-UHFFFAOYSA-N 0 3 293.327 0.856 20 5 CCBDHN COC(=O)CC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000288559604 197112317 /nfs/dbraw/zinc/11/23/17/197112317.db2.gz JRFBHULFWDVTMQ-SNVBAGLBSA-N 0 3 281.268 0.814 20 5 CCBDHN COC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000183484706 388756969 /nfs/dbraw/zinc/75/69/69/388756969.db2.gz SXYJXZXPRQMTBY-GFCCVEGCSA-N 0 3 281.312 0.771 20 5 CCBDHN CS(=O)(=O)N1CC(CNCc2ccccc2[N+](=O)[O-])C1 ZINC000189704954 388969316 /nfs/dbraw/zinc/96/93/16/388969316.db2.gz LQKTWIPCVQTJRY-UHFFFAOYSA-N 0 3 299.352 0.576 20 5 CCBDHN COCCNCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000313422485 389113863 /nfs/dbraw/zinc/11/38/63/389113863.db2.gz CLWJRGSIVBIKKR-SREVYHEPSA-N 0 3 293.323 0.960 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CCN(C)CC1 ZINC000132333981 389223145 /nfs/dbraw/zinc/22/31/45/389223145.db2.gz FQSWODDPDOMGDD-UHFFFAOYSA-N 0 3 295.343 0.700 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2CO)c1 ZINC000264245133 389314932 /nfs/dbraw/zinc/31/49/32/389314932.db2.gz CLUBGQRKWNQTHC-STQMWFEESA-N 0 3 296.323 0.791 20 5 CCBDHN CC[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000156984680 389328963 /nfs/dbraw/zinc/32/89/63/389328963.db2.gz ODCLPZPQJSOQBK-JTQLQIEISA-N 0 3 269.305 0.248 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](N(C)C)C2)n1 ZINC000166758872 389442687 /nfs/dbraw/zinc/44/26/87/389442687.db2.gz MVMBMEOOUQNNQO-VIFPVBQESA-N 0 3 294.311 0.917 20 5 CCBDHN CN1CCNC[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000414956953 389647773 /nfs/dbraw/zinc/64/77/73/389647773.db2.gz BAJHTULJSYOWPA-ZDUSSCGKSA-N 0 3 264.329 0.588 20 5 CCBDHN Cc1ccc(CNC[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414956414 389647937 /nfs/dbraw/zinc/64/79/37/389647937.db2.gz AHKCXQWDPLSGHH-ZDUSSCGKSA-N 0 3 278.356 0.896 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CNCCN1C ZINC000414980240 389650899 /nfs/dbraw/zinc/65/08/99/389650899.db2.gz VNSVQLVPIWBWQX-CQSZACIVSA-N 0 3 278.356 0.896 20 5 CCBDHN CNCc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000428297478 389690774 /nfs/dbraw/zinc/69/07/74/389690774.db2.gz AEKGRVBOHLEYMV-UHFFFAOYSA-N 0 3 290.283 0.544 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CCN ZINC000415876941 389706666 /nfs/dbraw/zinc/70/66/66/389706666.db2.gz GZBFXMQIDBSSSB-UHFFFAOYSA-N 0 3 294.311 0.567 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H]1C ZINC000379462304 389761557 /nfs/dbraw/zinc/76/15/57/389761557.db2.gz CRVUDDJWGQLUPV-RKDXNWHRSA-N 0 3 266.301 0.756 20 5 CCBDHN COC1CC(N(C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000352223623 389774253 /nfs/dbraw/zinc/77/42/53/389774253.db2.gz XEIPFKJVGRYKTH-UHFFFAOYSA-N 0 3 254.290 0.901 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C2CNC2)c1 ZINC000420416442 389999299 /nfs/dbraw/zinc/99/92/99/389999299.db2.gz CMUMYLRCXHZJBO-UHFFFAOYSA-N 0 3 299.352 0.804 20 5 CCBDHN C[C@@H]1[C@H](CO)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000488765254 390095958 /nfs/dbraw/zinc/09/59/58/390095958.db2.gz HSBBLNMRWDVFQY-ZJUUUORDSA-N 0 3 254.290 0.494 20 5 CCBDHN CN(C)CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000539750558 390209106 /nfs/dbraw/zinc/20/91/06/390209106.db2.gz VWZUZOZFOFKFHB-UHFFFAOYSA-N 0 3 281.312 0.903 20 5 CCBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](O)CO ZINC000347375780 533408145 /nfs/dbraw/zinc/40/81/45/533408145.db2.gz KQUFXSHOILUQFV-ZQNFCJTASA-N 0 3 266.297 0.941 20 5 CCBDHN NCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000237966879 131069313 /nfs/dbraw/zinc/06/93/13/131069313.db2.gz MYVPGSVDZOJWSC-UHFFFAOYSA-N 0 3 251.286 0.992 20 5 CCBDHN CN1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000196748538 397427444 /nfs/dbraw/zinc/42/74/44/397427444.db2.gz XURRXYQKDVBMGI-UHFFFAOYSA-N 0 3 253.262 0.142 20 5 CCBDHN C[C@@H]1[C@@H](C)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000357005684 144050230 /nfs/dbraw/zinc/05/02/30/144050230.db2.gz RLXCSGSKOBEDRR-WZRBSPASSA-N 0 3 297.359 0.177 20 5 CCBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2C[C@H](F)CN2)c1[N+](=O)[O-] ZINC000368376339 144221300 /nfs/dbraw/zinc/22/13/00/144221300.db2.gz MCBNHHMPOXLTPT-YUMQZZPRSA-N 0 3 299.306 0.700 20 5 CCBDHN CN1CCC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000548943913 286081108 /nfs/dbraw/zinc/08/11/08/286081108.db2.gz BKCNUFHRTXYAPC-QMMMGPOBSA-N 0 3 267.289 0.390 20 5 CCBDHN O=C(CN1CCNCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000020362625 171161409 /nfs/dbraw/zinc/16/14/09/171161409.db2.gz JGUHHKYUALURJU-UHFFFAOYSA-N 0 3 264.285 0.439 20 5 CCBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000284943327 196162240 /nfs/dbraw/zinc/16/22/40/196162240.db2.gz JXBYWCXSPTWIND-UHFFFAOYSA-N 0 3 267.289 0.532 20 5 CCBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285343678 196255769 /nfs/dbraw/zinc/25/57/69/196255769.db2.gz AHGWFZDDLIKBGB-LBPRGKRZSA-N 0 3 296.323 0.791 20 5 CCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N(C)C1CC1 ZINC000285444107 196286419 /nfs/dbraw/zinc/28/64/19/196286419.db2.gz XVUKSKCOBGJDOI-SSDOTTSWSA-N 0 3 267.289 0.530 20 5 CCBDHN C[C@H]1NCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000417908422 227148557 /nfs/dbraw/zinc/14/85/57/227148557.db2.gz IKCUUUHPMWWBNZ-NXEZZACHSA-N 0 3 296.331 0.183 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000519181566 265360390 /nfs/dbraw/zinc/36/03/90/265360390.db2.gz GWESMMXHQOMDMS-MNOVXSKESA-N 0 3 291.311 0.046 20 5 CCBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN(C2CC2)C1 ZINC000450541410 274369576 /nfs/dbraw/zinc/36/95/76/274369576.db2.gz DJOCEPQQFWFOIC-VIFPVBQESA-N 0 3 292.343 0.718 20 5 CCBDHN CCN(CCO)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000183972857 276132872 /nfs/dbraw/zinc/13/28/72/276132872.db2.gz YCRANSYMQGEQBZ-UHFFFAOYSA-N 0 3 281.312 0.639 20 5 CCBDHN CC(C)CN(CCN(C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000345459171 278860303 /nfs/dbraw/zinc/86/03/03/278860303.db2.gz ZOTNOEQILQHCPD-UHFFFAOYSA-N 0 3 297.359 0.988 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@H](C)[NH3+] ZINC000063171200 281261893 /nfs/dbraw/zinc/26/18/93/281261893.db2.gz WFIKEGRTDIKFBU-SECBINFHSA-N 0 3 287.341 0.919 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)C[NH3+] ZINC000063020705 281262073 /nfs/dbraw/zinc/26/20/73/281262073.db2.gz PVCQYMOJWXLXGZ-UHFFFAOYSA-N 0 3 287.341 0.919 20 5 CCBDHN Cc1nc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000565786085 334597422 /nfs/dbraw/zinc/59/74/22/334597422.db2.gz IOCLNKZJDAGFMQ-UWVGGRQHSA-N 0 3 291.311 0.046 20 5 CCBDHN Cc1nc(N2CCNC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000581122446 336011284 /nfs/dbraw/zinc/01/12/84/336011284.db2.gz OSDULTCPNGTHQL-UHFFFAOYSA-N 0 3 251.290 0.881 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)[C@H](C)[NH3+] ZINC000381489947 336066626 /nfs/dbraw/zinc/06/66/26/336066626.db2.gz PWOCTJYFMFUHQT-DTWKUNHWSA-N 0 3 287.341 0.917 20 5 CCBDHN C[NH2+][C@@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261556690 536344503 /nfs/dbraw/zinc/34/45/03/536344503.db2.gz CEMVDYXHKVBNKR-QMMMGPOBSA-N 0 3 273.314 0.481 20 5 CCBDHN CCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000343634076 534909312 /nfs/dbraw/zinc/90/93/12/534909312.db2.gz FWJPRJKDJXIKSG-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN CCNCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000727062489 581300570 /nfs/dbraw/zinc/30/05/70/581300570.db2.gz FNHWXNBKLFSTOD-UHFFFAOYSA-N 0 3 266.301 0.732 20 5 CCBDHN C[C@H]1CCCN1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000783916719 581367555 /nfs/dbraw/zinc/36/75/55/581367555.db2.gz JSROJRYODMVXSH-VIFPVBQESA-N 0 3 281.316 0.542 20 5 CCBDHN CC(C)(NCCn1ccc([N+](=O)[O-])n1)C(=O)N1CCCC1 ZINC000796591237 581445315 /nfs/dbraw/zinc/44/53/15/581445315.db2.gz COYBAOCMRWKOIJ-UHFFFAOYSA-N 0 3 295.343 0.782 20 5 CCBDHN O=[N+]([O-])c1ccc([C@H](O)CN(CCO)CCCO)cc1 ZINC000776581329 582079678 /nfs/dbraw/zinc/07/96/78/582079678.db2.gz CWSVHKBCIPQCOF-CYBMUJFWSA-N 0 3 284.312 0.305 20 5 CCBDHN CC(COC(=O)[C@@H](C)NC(=O)C1CCCC1)[N+](=O)[O-] ZINC000813110665 617189287 /nfs/dbraw/zinc/18/92/87/617189287.db2.gz HEBQBPDKBRLINJ-RKDXNWHRSA-N 0 3 272.301 0.890 20 5 CCBDHN CC(C)(CCC(=O)NCCN1CC[C@@H](O)C1)[N+](=O)[O-] ZINC000863319089 614081173 /nfs/dbraw/zinc/08/11/73/614081173.db2.gz ZYKTVYRLTBBOGF-SNVBAGLBSA-N 0 3 273.333 0.005 20 5 CCBDHN CC(=O)N[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111162 613968523 /nfs/dbraw/zinc/96/85/23/613968523.db2.gz PHMVYQUAZDDOMP-WPRPVWTQSA-N 0 3 260.290 0.746 20 5 CCBDHN CC(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000982942921 614059924 /nfs/dbraw/zinc/05/99/24/614059924.db2.gz WRSYGPGOAKKYCJ-MGCOHNPYSA-N 0 3 281.316 0.333 20 5 CCBDHN CC1(C)CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000826805007 614595628 /nfs/dbraw/zinc/59/56/28/614595628.db2.gz LEEDBKIBQUPOST-GFCCVEGCSA-N 0 3 293.323 0.839 20 5 CCBDHN CCN(CCO)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828698710 615053432 /nfs/dbraw/zinc/05/34/32/615053432.db2.gz NGJOHKDJBZXAOS-UHFFFAOYSA-N 0 3 275.349 0.252 20 5 CCBDHN CCN1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910283153 615121420 /nfs/dbraw/zinc/12/14/20/615121420.db2.gz KPGVTCASRRWRFK-SECBINFHSA-N 0 3 281.316 0.874 20 5 CCBDHN CCOc1cnc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813106026 615521729 /nfs/dbraw/zinc/52/17/29/615521729.db2.gz XQHAASKLPUSTIQ-SSDOTTSWSA-N 0 3 255.230 0.697 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2CN(C)C[C@H]21 ZINC000893939937 616391556 /nfs/dbraw/zinc/39/15/56/616391556.db2.gz KREKRDAUUPJNAL-RKDXNWHRSA-N 0 3 251.290 0.469 20 5 CCBDHN COCC[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000884140226 616674932 /nfs/dbraw/zinc/67/49/32/616674932.db2.gz NCASPHRSNWKQES-JTQLQIEISA-N 0 3 279.296 0.848 20 5 CCBDHN COCCn1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813111787 616743528 /nfs/dbraw/zinc/74/35/28/616743528.db2.gz XJFFUAYZEWKXAO-QMMMGPOBSA-N 0 3 257.246 0.352 20 5 CCBDHN [NH3+]CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000020009679 623970291 /nfs/dbraw/zinc/97/02/91/623970291.db2.gz WIQSCQOCYOINJQ-UHFFFAOYSA-N 0 3 293.732 0.875 20 5 CCBDHN O=[N+]([O-])CCN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000905381646 634851854 /nfs/dbraw/zinc/85/18/54/634851854.db2.gz PCYOYZXZHYCMLD-VXGBXAGGSA-N 0 3 269.345 0.496 20 5 CCBDHN O=[N+]([O-])CCNCC[C@@H](O)COCc1ccccc1 ZINC000905398496 634857833 /nfs/dbraw/zinc/85/78/33/634857833.db2.gz IWASXNOFTZYHSH-CYBMUJFWSA-N 0 3 268.313 0.821 20 5 CCBDHN Cc1c(CNC(=O)C[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000231857090 637232556 /nfs/dbraw/zinc/23/25/56/637232556.db2.gz AMGRLBBTECSORD-GFCCVEGCSA-N 0 3 293.323 0.898 20 5 CCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)OCCN1CCCCC1 ZINC000919519717 638083049 /nfs/dbraw/zinc/08/30/49/638083049.db2.gz XEUAXSZACCALNM-UHFFFAOYSA-N 0 3 283.288 0.215 20 5 CCBDHN CC(COC(=O)c1cc(S(C)(=O)=O)cs1)[N+](=O)[O-] ZINC000813110181 641023262 /nfs/dbraw/zinc/02/32/62/641023262.db2.gz UKRMVGKMXSMHBI-LURJTMIESA-N 0 3 293.322 0.974 20 5 CCBDHN CC(COC(=O)CCNC(=O)c1ccco1)[N+](=O)[O-] ZINC000813113450 641024870 /nfs/dbraw/zinc/02/48/70/641024870.db2.gz QBTHEWSSKSZOJV-QMMMGPOBSA-N 0 3 270.241 0.608 20 5 CCBDHN CC(COC(=O)CSc1nnnn1C1CC1)[N+](=O)[O-] ZINC000813113661 641024908 /nfs/dbraw/zinc/02/49/08/641024908.db2.gz HOINMVCQVAUIIX-LURJTMIESA-N 0 3 287.301 0.309 20 5 CCBDHN CC(C)(CCC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N+](=O)[O-] ZINC000848307274 643619146 /nfs/dbraw/zinc/61/91/46/643619146.db2.gz SZGCHPNXKWRCOX-WDEREUQCSA-N 0 3 285.344 0.099 20 5 CCBDHN CC(COC(=O)Cc1nnn(C(C)(C)C)n1)[N+](=O)[O-] ZINC000851036458 643828863 /nfs/dbraw/zinc/82/88/63/643828863.db2.gz IHTMSJYRCWPIMQ-SSDOTTSWSA-N 0 3 271.277 0.179 20 5 CCBDHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC000137114499 647902734 /nfs/dbraw/zinc/90/27/34/647902734.db2.gz DAMNZNBTVOYYBA-LBPRGKRZSA-N 0 3 279.296 0.621 20 5 CCBDHN Cn1cc(CN[C@H]2CCOC23CCOCC3)c([N+](=O)[O-])n1 ZINC000934399901 649173903 /nfs/dbraw/zinc/17/39/03/649173903.db2.gz QQQHOLMKPAJTTC-NSHDSACASA-N 0 3 296.327 0.756 20 5 CCBDHN O=C1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C(=O)N1 ZINC001167572693 791559719 /nfs/dbraw/zinc/55/97/19/791559719.db2.gz GGTKKWBLLJEUCL-SECBINFHSA-N 0 3 290.279 0.415 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1CCC1 ZINC001154076017 800718109 /nfs/dbraw/zinc/71/81/09/800718109.db2.gz VVUCXLXYBIVJMK-UHFFFAOYSA-N 0 3 295.343 0.724 20 5 CCBDHN Cc1cc(Cl)c([N+](=O)[O-])c(-n2nncc2CN)n1 ZINC001158420681 801640652 /nfs/dbraw/zinc/64/06/52/801640652.db2.gz VUQWYKSGEWUYGJ-UHFFFAOYSA-N 0 3 268.664 0.991 20 5 CCBDHN CCOc1nc(-n2nncc2CN)ccc1[N+](=O)[O-] ZINC001158423412 801643711 /nfs/dbraw/zinc/64/37/11/801643711.db2.gz SBRIDAQPCALZQD-UHFFFAOYSA-N 0 3 264.245 0.428 20 5 CCBDHN COc1nc(N[C@@H](C)[C@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001159489102 801819100 /nfs/dbraw/zinc/81/91/00/801819100.db2.gz JLDWSBZPBQGNHQ-IONNQARKSA-N 0 3 283.288 0.182 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H](C)[C@H]1CNCCO1 ZINC001159500320 801825262 /nfs/dbraw/zinc/82/52/62/801825262.db2.gz RUMHHRICWPGGDV-MWLCHTKSSA-N 0 3 282.300 0.325 20 5 CCBDHN COc1nc(C)c([N+](=O)[O-])c(N[C@H](C)[C@H]2CNCCO2)n1 ZINC001159500851 801826114 /nfs/dbraw/zinc/82/61/14/801826114.db2.gz XWFAWSHGNMDVPF-VXNVDRBHSA-N 0 3 297.315 0.491 20 5 CCBDHN CNC(=O)[C@H](C)N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254577204 808263142 /nfs/dbraw/zinc/26/31/42/808263142.db2.gz CXIQWCPSRMMVLM-GZMMTYOYSA-N 0 3 263.297 0.786 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H](O)[C@H](CO)C1)C2 ZINC001254595837 808264211 /nfs/dbraw/zinc/26/42/11/808264211.db2.gz ZMLJTTOIWDQOEE-NWANDNLSSA-N 0 3 292.335 0.737 20 5 CCBDHN Cc1cc(CN)nn1-c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001163978281 820486608 /nfs/dbraw/zinc/48/66/08/820486608.db2.gz WBTRGDWQSGOURO-UHFFFAOYSA-N 0 3 276.256 0.042 20 5 CCBDHN O=[N+]([O-])c1cc[n+]([O-])c(-n2ncc3c2CCNC3)c1 ZINC001165218199 821033452 /nfs/dbraw/zinc/03/34/52/821033452.db2.gz JWHSOPKIYFVPTP-UHFFFAOYSA-N 0 3 261.241 0.060 20 5 CCBDHN COc1nc(C)c([N+](=O)[O-])c(-n2cnc(CN)c2)n1 ZINC001154906781 821719045 /nfs/dbraw/zinc/71/90/45/821719045.db2.gz NZEICENWHKCOOK-UHFFFAOYSA-N 0 3 264.245 0.346 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(CCCO)CC2)C1 ZINC001169010928 836100434 /nfs/dbraw/zinc/10/04/34/836100434.db2.gz GHBPWRLLFHQJSO-OLZOCXBDSA-N 0 3 271.361 0.432 20 5 CCBDHN O=C1CO[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)CN1 ZINC001169275678 836181964 /nfs/dbraw/zinc/18/19/64/836181964.db2.gz UMWHDSHHOHPKDG-JTQLQIEISA-N 0 3 292.295 0.125 20 5 CCBDHN Cc1c(-n2nncc2CN)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169310223 836210852 /nfs/dbraw/zinc/21/08/52/836210852.db2.gz QHVMTRAVNNSRBC-UHFFFAOYSA-N 0 3 278.228 0.851 20 5 CCBDHN O=C(CCO)CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170099997 837003587 /nfs/dbraw/zinc/00/35/87/837003587.db2.gz AVSBPYVQDQOXCG-UHFFFAOYSA-N 0 3 265.269 0.561 20 5 CCBDHN C[C@@H](Nc1nccc(N)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170567037 838128056 /nfs/dbraw/zinc/12/80/56/838128056.db2.gz BYMQZYBVHBRGMK-VXNVDRBHSA-N 0 3 267.289 0.361 20 5 CCBDHN CCN(CC)CC(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093646933 841402521 /nfs/dbraw/zinc/40/25/21/841402521.db2.gz SDJKNOCHDZSJTC-UHFFFAOYSA-N 0 3 295.343 0.860 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC(N[C@H]2CCOC2)C1 ZINC001187740119 844759539 /nfs/dbraw/zinc/75/95/39/844759539.db2.gz YTLXBANLCGNLLB-JTQLQIEISA-N 0 3 295.343 0.687 20 5 CCBDHN CN1CCNC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000686124647 849061275 /nfs/dbraw/zinc/06/12/75/849061275.db2.gz DWABKSGALGHGBL-LBPRGKRZSA-N 0 3 278.312 0.115 20 5 CCBDHN CS(=O)(=O)CCNCCc1ccc([N+](=O)[O-])cc1 ZINC000037750476 849246454 /nfs/dbraw/zinc/24/64/54/849246454.db2.gz PNCMYUFPBWSYPC-UHFFFAOYSA-N 0 3 272.326 0.772 20 5 CCBDHN CN(C)CCONC(=O)c1csc([N+](=O)[O-])c1 ZINC001118763300 856430650 /nfs/dbraw/zinc/43/06/50/856430650.db2.gz IKCOLCMNCCFLJZ-UHFFFAOYSA-N 0 3 259.287 0.879 20 5 CCBDHN CC(C)N1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC001142103677 903749642 /nfs/dbraw/zinc/74/96/42/903749642.db2.gz QZMAVFWLXFLXET-JTQLQIEISA-N 0 3 295.343 0.883 20 5 CCBDHN CCCN1CC[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001301380096 907965744 /nfs/dbraw/zinc/96/57/44/907965744.db2.gz VSCYUNILKAQAFY-SNVBAGLBSA-N 0 3 293.327 0.786 20 5 CCBDHN CCN1CC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001303018728 908058234 /nfs/dbraw/zinc/05/82/34/908058234.db2.gz JEFZHIZJEVZYAM-SSDOTTSWSA-N 0 3 253.262 0.142 20 5 CCBDHN C[C@H]1CCCN1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001322757201 911940408 /nfs/dbraw/zinc/94/04/08/911940408.db2.gz OULDOHSLHCQXLD-QMMMGPOBSA-N 0 3 267.289 0.532 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCF)c1 ZINC001335353126 920140973 /nfs/dbraw/zinc/14/09/73/920140973.db2.gz YJLOHBSVSGZRBM-JTQLQIEISA-N 0 3 258.249 0.894 20 5 CCBDHN CC(=O)N[C@](C)(C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC001343652370 923405256 /nfs/dbraw/zinc/40/52/56/923405256.db2.gz TZYCDBRKCFLNSY-KCJUWKMLSA-N 0 3 260.290 0.746 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](CO)C1 ZINC000090512276 349437753 /nfs/dbraw/zinc/43/77/53/349437753.db2.gz LQJMHFUNGQAZAC-NSHDSACASA-N 0 3 281.312 0.461 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108328596 349745267 /nfs/dbraw/zinc/74/52/67/349745267.db2.gz WXUVQPGDTCHPPK-NSHDSACASA-N 0 3 295.343 0.558 20 5 CCBDHN CN1CC[C@@](O)(CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000358299710 529801305 /nfs/dbraw/zinc/80/13/05/529801305.db2.gz FNEJYJNBOPJOJX-LLVKDONJSA-N 0 3 297.340 0.783 20 5 CCBDHN CC[C@]1(O)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602810180 362812828 /nfs/dbraw/zinc/81/28/28/362812828.db2.gz FKMNQGBYKCIRJC-LBPRGKRZSA-N 0 3 268.317 0.947 20 5 CCBDHN COCCN(CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000602823651 362820775 /nfs/dbraw/zinc/82/07/75/362820775.db2.gz YBDYKQPVAZBJTM-LBPRGKRZSA-N 0 3 298.343 0.837 20 5 CCBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)CN1 ZINC000086467450 136794933 /nfs/dbraw/zinc/79/49/33/136794933.db2.gz PBLQRIXESYWHSN-RKDXNWHRSA-N 0 3 266.301 0.756 20 5 CCBDHN Cn1c(C(=O)NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000343257148 137123083 /nfs/dbraw/zinc/12/30/83/137123083.db2.gz XOLIJDOIEPTJLQ-UHFFFAOYSA-N 0 3 278.312 0.925 20 5 CCBDHN C[C@@H](CN(C)C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000343783537 137156794 /nfs/dbraw/zinc/15/67/94/137156794.db2.gz DEGNDBUWZOKVAD-QMMMGPOBSA-N 0 3 264.289 0.421 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)n1 ZINC000344028073 137174030 /nfs/dbraw/zinc/17/40/30/137174030.db2.gz MFPMUTFYIRWIRD-HBNTYKKESA-N 0 3 266.301 0.494 20 5 CCBDHN C[C@@H]1C[C@H](CO)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000344146338 137179910 /nfs/dbraw/zinc/17/99/10/137179910.db2.gz PPJUPXMRYKEVGP-WZRBSPASSA-N 0 3 298.343 0.245 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 ZINC000032758556 348138517 /nfs/dbraw/zinc/13/85/17/348138517.db2.gz UMEZLJXROMMTID-ZDUSSCGKSA-N 0 3 296.323 0.791 20 5 CCBDHN COC(=O)[C@@]1(C)CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000602931530 362892665 /nfs/dbraw/zinc/89/26/65/362892665.db2.gz MVJMBOGVEHHJQH-GWCFXTLKSA-N 0 3 296.327 0.922 20 5 CCBDHN CO[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@@](C)(CO)C1 ZINC000602964516 362910576 /nfs/dbraw/zinc/91/05/76/362910576.db2.gz QTQXRMOJJYGLNK-VXGBXAGGSA-N 0 3 284.316 0.263 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)CN2CCOCC2)c1 ZINC000048462772 348411100 /nfs/dbraw/zinc/41/11/00/348411100.db2.gz JUASTLXCROGMLF-AWEZNQCLSA-N 0 3 295.339 0.378 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347737920 137353701 /nfs/dbraw/zinc/35/37/01/137353701.db2.gz MZFLUVIQTXTHCM-VIFPVBQESA-N 0 3 266.301 0.757 20 5 CCBDHN Nc1nc(N[C@@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000076269022 349076749 /nfs/dbraw/zinc/07/67/49/349076749.db2.gz UUFPHTRHZAHPPB-SSDOTTSWSA-N 0 3 264.289 0.616 20 5 CCBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000076029357 349063998 /nfs/dbraw/zinc/06/39/98/349063998.db2.gz NWKFJTUVTSNTJF-JTQLQIEISA-N 0 3 296.327 0.764 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000124706472 350105183 /nfs/dbraw/zinc/10/51/83/350105183.db2.gz IEJBKDSUYNQMMY-UHFFFAOYSA-N 0 3 287.341 0.919 20 5 CCBDHN CCN(CCNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CC1 ZINC000130787158 350248745 /nfs/dbraw/zinc/24/87/45/350248745.db2.gz VBNRYEKURNILCP-UHFFFAOYSA-N 0 3 267.289 0.532 20 5 CCBDHN C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N(C)C1CC1 ZINC000132314265 350303507 /nfs/dbraw/zinc/30/35/07/350303507.db2.gz RTTJAKIZDYRJSQ-ZETCQYMHSA-N 0 3 267.289 0.530 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@H]3C[C@@]3(O)C2)c1 ZINC000603086733 362955051 /nfs/dbraw/zinc/95/50/51/362955051.db2.gz IQAQDDGKOVYPQF-MPKXVKKWSA-N 0 3 294.307 0.401 20 5 CCBDHN CNCC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000151714110 350509094 /nfs/dbraw/zinc/50/90/94/350509094.db2.gz QIGNJWQGQRCDOQ-UHFFFAOYSA-N 0 3 267.241 0.539 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@]3(CCOC3)C2)n1 ZINC000154070763 350573717 /nfs/dbraw/zinc/57/37/17/350573717.db2.gz SSQFWZKKHASABD-LBPRGKRZSA-N 0 3 266.301 0.904 20 5 CCBDHN COCC1=CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000185808010 351460422 /nfs/dbraw/zinc/46/04/22/351460422.db2.gz CLLCVVRJIICNEW-ZDUSSCGKSA-N 0 3 296.327 0.431 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000194093711 351856221 /nfs/dbraw/zinc/85/62/21/351856221.db2.gz QNVYVLLRXWAJFP-JTQLQIEISA-N 0 3 295.343 0.851 20 5 CCBDHN CO[C@H](CN)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000227356668 352046192 /nfs/dbraw/zinc/04/61/92/352046192.db2.gz ZDGYSFZZIUEWCT-SNVBAGLBSA-N 0 3 253.258 0.815 20 5 CCBDHN CN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CCN(C)CC1 ZINC000230753589 352119651 /nfs/dbraw/zinc/11/96/51/352119651.db2.gz TWWIWIPNWYFVIR-UHFFFAOYSA-N 0 3 293.327 0.738 20 5 CCBDHN Nc1c(C(=O)N2CCCNCC2)cccc1[N+](=O)[O-] ZINC000238061120 352296903 /nfs/dbraw/zinc/29/69/03/352296903.db2.gz GBHJINYZJXNBPD-UHFFFAOYSA-N 0 3 264.285 0.613 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](CO)C2)c1 ZINC000247050242 352395651 /nfs/dbraw/zinc/39/56/51/352395651.db2.gz WWZSSYLAFWGFKK-YPMHNXCESA-N 0 3 296.323 0.649 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000268219599 352817595 /nfs/dbraw/zinc/81/75/95/352817595.db2.gz LSVWXGBEHFLBAK-BXKDBHETSA-N 0 3 293.327 0.390 20 5 CCBDHN CS[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271140223 353025584 /nfs/dbraw/zinc/02/55/84/353025584.db2.gz OWOPLDXHTMTKLI-DTWKUNHWSA-N 0 3 299.356 0.436 20 5 CCBDHN CN(CCN(C)C1CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000274519652 353137153 /nfs/dbraw/zinc/13/71/53/353137153.db2.gz WLHIVRDVNLPCJL-UHFFFAOYSA-N 0 3 266.305 0.497 20 5 CCBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(CCO)CCCO)c1 ZINC000154211399 188129394 /nfs/dbraw/zinc/12/93/94/188129394.db2.gz FWTBIKIARDXRNF-ZDUSSCGKSA-N 0 3 284.312 0.305 20 5 CCBDHN CNC(=O)[C@]1(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000280703372 353376943 /nfs/dbraw/zinc/37/69/43/353376943.db2.gz HDMHOKDPNDORIO-GFCCVEGCSA-N 0 3 281.316 0.249 20 5 CCBDHN CC(C)N(CCOCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000283773257 353529475 /nfs/dbraw/zinc/52/94/75/353529475.db2.gz POOTZLMSPLPDRQ-UHFFFAOYSA-N 0 3 286.332 0.511 20 5 CCBDHN CN(CCC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000286351571 353580178 /nfs/dbraw/zinc/58/01/78/353580178.db2.gz GZZIPHJUFUGBKC-LLVKDONJSA-N 0 3 297.311 0.142 20 5 CCBDHN C[C@@H](CN(C)C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291132978 353768907 /nfs/dbraw/zinc/76/89/07/353768907.db2.gz NGRZLSPFURKUFX-ZETCQYMHSA-N 0 3 267.289 0.451 20 5 CCBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000299200240 353998558 /nfs/dbraw/zinc/99/85/58/353998558.db2.gz BNHTYFVAHJJTLG-UHFFFAOYSA-N 0 3 252.274 0.747 20 5 CCBDHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000301183010 354072212 /nfs/dbraw/zinc/07/22/12/354072212.db2.gz CGFHQIFHUIIWPT-QMMMGPOBSA-N 0 3 266.305 0.721 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCC[C@]1(C)CO ZINC000331189457 354484351 /nfs/dbraw/zinc/48/43/51/354484351.db2.gz VGVYAERZJOOJEE-CMPLNLGQSA-N 0 3 268.317 0.969 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2CCN(C)CC2)n1 ZINC000331167144 354475402 /nfs/dbraw/zinc/47/54/02/354475402.db2.gz DYIJEBPPYMCGMS-UHFFFAOYSA-N 0 3 295.343 0.977 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000423995115 235134047 /nfs/dbraw/zinc/13/40/47/235134047.db2.gz UKNBDMHXXDKNGV-SECBINFHSA-N 0 3 299.714 0.966 20 5 CCBDHN CC(C)CN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000340529211 355566996 /nfs/dbraw/zinc/56/69/96/355566996.db2.gz IHEASSKFJGDIPF-UHFFFAOYSA-N 0 3 297.359 0.838 20 5 CCBDHN C[C@H]1[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCN1C ZINC000345332485 355800851 /nfs/dbraw/zinc/80/08/51/355800851.db2.gz YHFYZECTGORGPY-JGVFFNPUSA-N 0 3 267.289 0.530 20 5 CCBDHN C[C@@H]1CCN(C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000354005568 356329467 /nfs/dbraw/zinc/32/94/67/356329467.db2.gz HOERMCXGRWEXGE-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)CC[C@H]1C ZINC000354009258 356329818 /nfs/dbraw/zinc/32/98/18/356329818.db2.gz VDPMOPBLZAIGLI-SNVBAGLBSA-N 0 3 295.343 0.652 20 5 CCBDHN Cc1n[nH]c(C(=O)NCCNc2ccncc2)c1[N+](=O)[O-] ZINC000355811663 356653180 /nfs/dbraw/zinc/65/31/80/356653180.db2.gz HTUPTNRIFFISCF-UHFFFAOYSA-N 0 3 290.283 0.285 20 5 CCBDHN CCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000610336476 363552045 /nfs/dbraw/zinc/55/20/45/363552045.db2.gz OKYOCXMRZNBYQL-DGCLKSJQSA-N 0 3 297.359 0.178 20 5 CCBDHN CC[C@@H](CN1CCCC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000619787730 366353320 /nfs/dbraw/zinc/35/33/20/366353320.db2.gz HZJHMSUXSQUAMG-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000359307680 356799127 /nfs/dbraw/zinc/79/91/27/356799127.db2.gz NXVQXQJZLKMEJJ-SSDOTTSWSA-N 0 3 293.370 0.933 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCCN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000610604665 363584928 /nfs/dbraw/zinc/58/49/28/363584928.db2.gz ZTTYSDGAXVUZQR-BETUJISGSA-N 0 3 296.323 0.791 20 5 CCBDHN C[C@H]1C[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1C ZINC000408056541 357893266 /nfs/dbraw/zinc/89/32/66/357893266.db2.gz ISHJNHRVNSIONX-UWVGGRQHSA-N 0 3 295.343 0.883 20 5 CCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1COC[C@H]1O ZINC000453327712 236274474 /nfs/dbraw/zinc/27/44/74/236274474.db2.gz AZAQTTKPSSOJHR-IRUJWGPZSA-N 0 3 266.297 0.875 20 5 CCBDHN Cc1ncc(CNCCn2cc([N+](=O)[O-])cn2)n1C ZINC000573743110 358995950 /nfs/dbraw/zinc/99/59/50/358995950.db2.gz GJTPCBHPYMSXNK-UHFFFAOYSA-N 0 3 264.289 0.623 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](CO)CN(C)C)c1 ZINC000589101534 359359167 /nfs/dbraw/zinc/35/91/67/359359167.db2.gz HUISWEGTIYLXQR-SNVBAGLBSA-N 0 3 297.311 0.716 20 5 CCBDHN O=C(N[C@@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000588868649 359344183 /nfs/dbraw/zinc/34/41/83/359344183.db2.gz ASVFUJCPXGPZLP-GFCCVEGCSA-N 0 3 293.323 0.781 20 5 CCBDHN CCc1n[nH]c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590444427 359467181 /nfs/dbraw/zinc/46/71/81/359467181.db2.gz LOIYGABROVTVIQ-WPRPVWTQSA-N 0 3 293.327 0.656 20 5 CCBDHN CCc1[nH]nc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590444427 359467184 /nfs/dbraw/zinc/46/71/84/359467184.db2.gz LOIYGABROVTVIQ-WPRPVWTQSA-N 0 3 293.327 0.656 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)n1 ZINC000590456412 359470778 /nfs/dbraw/zinc/47/07/78/359470778.db2.gz PDZRLLHYTZMNMT-CYBMUJFWSA-N 0 3 293.327 0.496 20 5 CCBDHN CC[C@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000563160011 291201126 /nfs/dbraw/zinc/20/11/26/291201126.db2.gz LZLRDOGKBDPXBP-JTQLQIEISA-N 0 3 264.285 0.612 20 5 CCBDHN COC(=O)[C@H]1CNCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000592434669 359841006 /nfs/dbraw/zinc/84/10/06/359841006.db2.gz LWOGZGGXJZATQH-SNVBAGLBSA-N 0 3 299.352 0.993 20 5 CCBDHN C[C@@H](O)CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000594065812 360244328 /nfs/dbraw/zinc/24/43/28/360244328.db2.gz VBJPKTXAROLNDK-SNVBAGLBSA-N 0 3 281.312 0.602 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])[C@@H]2C1 ZINC000594363749 360282651 /nfs/dbraw/zinc/28/26/51/360282651.db2.gz JVSLVNZBGHIKTA-WCBMZHEXSA-N 0 3 291.311 0.178 20 5 CCBDHN C[C@]12COC[C@@H]1CN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595759448 360644313 /nfs/dbraw/zinc/64/43/13/360644313.db2.gz QGJKFGZIACLKEF-JQWIXIFHSA-N 0 3 266.301 0.760 20 5 CCBDHN O=C1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@@H]2N1 ZINC000595727362 360631983 /nfs/dbraw/zinc/63/19/83/360631983.db2.gz BMMPVNZMGOYXMV-PWSUYJOCSA-N 0 3 293.327 0.392 20 5 CCBDHN N[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1F ZINC000595905505 360699948 /nfs/dbraw/zinc/69/99/48/360699948.db2.gz DKPRFQPQFHQUIG-RKDXNWHRSA-N 0 3 257.269 0.162 20 5 CCBDHN CCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000596816158 360961367 /nfs/dbraw/zinc/96/13/67/360961367.db2.gz HEPFDUCQKWLTGN-JTQLQIEISA-N 0 3 293.327 0.970 20 5 CCBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000597603494 361158699 /nfs/dbraw/zinc/15/86/99/361158699.db2.gz CQAPSYMVRYKZOM-SECBINFHSA-N 0 3 281.316 0.874 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN(C)C)c1 ZINC000597654157 361175003 /nfs/dbraw/zinc/17/50/03/361175003.db2.gz OYQLEUJQTJTITJ-SNVBAGLBSA-N 0 3 281.312 0.556 20 5 CCBDHN CCCN1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000598341869 361392401 /nfs/dbraw/zinc/39/24/01/361392401.db2.gz HKNOQRVCQKAHHM-MRVPVSSYSA-N 0 3 267.289 0.532 20 5 CCBDHN O=[N+]([O-])c1ccc(CNCCN2CC[C@@H](O)C2)cc1 ZINC000599007940 361552516 /nfs/dbraw/zinc/55/25/16/361552516.db2.gz DPYKNKPEENAQSQ-CYBMUJFWSA-N 0 3 265.313 0.751 20 5 CCBDHN C[C@@H](CN)N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915114 361530776 /nfs/dbraw/zinc/53/07/76/361530776.db2.gz HWTOOLGUQGNBQZ-QMMMGPOBSA-N 0 3 280.284 0.339 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915783 361531683 /nfs/dbraw/zinc/53/16/83/361531683.db2.gz ORTVJTNEAVHRGS-SECBINFHSA-N 0 3 298.274 0.844 20 5 CCBDHN Cc1cnc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000566985214 291452303 /nfs/dbraw/zinc/45/23/03/291452303.db2.gz AJQQDCZADKUJHT-UWVGGRQHSA-N 0 3 291.311 0.046 20 5 CCBDHN NC(=O)[C@@]1(O)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000276269993 193265186 /nfs/dbraw/zinc/26/51/86/193265186.db2.gz CQNWIVSYMZCBPG-CYBMUJFWSA-N 0 3 279.296 0.059 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN2CCC[C@H]2C1 ZINC000331849883 204226609 /nfs/dbraw/zinc/22/66/09/204226609.db2.gz ODGBJWLZTOIATQ-VIFPVBQESA-N 0 3 264.285 0.843 20 5 CCBDHN CC(=O)NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515012251 249116568 /nfs/dbraw/zinc/11/65/68/249116568.db2.gz BWVLBEGHXLVUOF-NSHDSACASA-N 0 3 297.311 0.060 20 5 CCBDHN CN(C)CC1(NC(=O)c2nn(C)cc2[N+](=O)[O-])CCC1 ZINC000281068097 195090711 /nfs/dbraw/zinc/09/07/11/195090711.db2.gz MJBVBYYUUKCJGJ-UHFFFAOYSA-N 0 3 281.316 0.542 20 5 CCBDHN CNC(=O)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000183638189 388760084 /nfs/dbraw/zinc/76/00/84/388760084.db2.gz SVKQZIGKDUKOHO-LBPRGKRZSA-N 0 3 296.327 0.117 20 5 CCBDHN CCN1CCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290607220 388908768 /nfs/dbraw/zinc/90/87/68/388908768.db2.gz ZXZISQXENGHLCJ-VIFPVBQESA-N 0 3 293.327 0.985 20 5 CCBDHN CN1CC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000074864773 388983006 /nfs/dbraw/zinc/98/30/06/388983006.db2.gz JIWHUVXRETYMJJ-JTQLQIEISA-N 0 3 299.352 0.825 20 5 CCBDHN Cc1nc(N2CCN3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000296625688 389010521 /nfs/dbraw/zinc/01/05/21/389010521.db2.gz VGGSZRJIFLNLDF-SNVBAGLBSA-N 0 3 263.301 0.978 20 5 CCBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000131305147 389212104 /nfs/dbraw/zinc/21/21/04/389212104.db2.gz YETYARVBSRCAMF-VIFPVBQESA-N 0 3 279.300 0.628 20 5 CCBDHN CN1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000170980755 389470091 /nfs/dbraw/zinc/47/00/91/389470091.db2.gz KIMPARHWCRLSLK-JTQLQIEISA-N 0 3 281.316 0.249 20 5 CCBDHN CN1CCNC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000414965090 389647747 /nfs/dbraw/zinc/64/77/47/389647747.db2.gz MZRSDMDEODBSGJ-GFCCVEGCSA-N 0 3 282.319 0.727 20 5 CCBDHN COCCNCCNCc1ccccc1[N+](=O)[O-] ZINC000414887587 389644364 /nfs/dbraw/zinc/64/43/64/389644364.db2.gz QPKUACOJYFTYNX-UHFFFAOYSA-N 0 3 253.302 0.920 20 5 CCBDHN CC[C@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423726196 389606424 /nfs/dbraw/zinc/60/64/24/389606424.db2.gz PJIGYPQUHHZPEL-QMMMGPOBSA-N 0 3 263.257 0.569 20 5 CCBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCCCO1 ZINC000441233488 389827862 /nfs/dbraw/zinc/82/78/62/389827862.db2.gz UJLUNZPBQVEDEW-QWHCGFSZSA-N 0 3 298.343 0.653 20 5 CCBDHN COc1ccc(CN[C@H](CO)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000419801307 389916926 /nfs/dbraw/zinc/91/69/26/389916926.db2.gz BQCIOFPJEZYNOK-PSASIEDQSA-N 0 3 270.285 0.435 20 5 CCBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000420471511 390008916 /nfs/dbraw/zinc/00/89/16/390008916.db2.gz RLRKNRIOMNOOKC-SECBINFHSA-N 0 3 287.341 0.919 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]C(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000440341899 390035176 /nfs/dbraw/zinc/03/51/76/390035176.db2.gz MYAKXEDYCPCKNX-UHFFFAOYSA-N 0 3 287.341 0.919 20 5 CCBDHN COCCN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCO[C@@H]1C ZINC000489450662 390100375 /nfs/dbraw/zinc/10/03/75/390100375.db2.gz PZCAYYCBHCWRBP-VXGBXAGGSA-N 0 3 298.343 0.917 20 5 CCBDHN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@H](C)CN1 ZINC000579573354 390185491 /nfs/dbraw/zinc/18/54/91/390185491.db2.gz KMKMEFQUVRLVNL-RKDXNWHRSA-N 0 3 276.300 0.824 20 5 CCBDHN C[C@H]1CCN(CCNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000535757578 390151508 /nfs/dbraw/zinc/15/15/08/390151508.db2.gz NTRCFZHKPLRZSN-VIFPVBQESA-N 0 3 281.316 0.400 20 5 CCBDHN CN(C)CCOCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000537546439 390178822 /nfs/dbraw/zinc/17/88/22/390178822.db2.gz ROCUTHWRNINMDG-UHFFFAOYSA-N 0 3 295.339 0.832 20 5 CCBDHN C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCCC1 ZINC000540796427 390223990 /nfs/dbraw/zinc/22/39/90/390223990.db2.gz YGYRJCDHGLTHCT-SECBINFHSA-N 0 3 281.316 0.542 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000583944944 390327811 /nfs/dbraw/zinc/32/78/11/390327811.db2.gz BFOSXPBDFPCFRY-UWVGGRQHSA-N 0 3 291.311 0.046 20 5 CCBDHN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)CN1 ZINC000237487249 131036286 /nfs/dbraw/zinc/03/62/86/131036286.db2.gz HATXZNMHFGEJDF-BDAKNGLRSA-N 0 3 278.312 0.999 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000237614736 131047257 /nfs/dbraw/zinc/04/72/57/131047257.db2.gz KVCUONWLXCFJKU-IUCAKERBSA-N 0 3 281.316 0.309 20 5 CCBDHN CN(C)C/C=C/C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269127307 132116839 /nfs/dbraw/zinc/11/68/39/132116839.db2.gz ZBTIEPSWGGFKBS-ONEGZZNKSA-N 0 3 267.289 0.025 20 5 CCBDHN O=C(C[C@H]1CNCCO1)NCCc1ccccc1[N+](=O)[O-] ZINC000269205675 132131204 /nfs/dbraw/zinc/13/12/04/132131204.db2.gz CYYZYPMERFVFSR-LBPRGKRZSA-N 0 3 293.323 0.632 20 5 CCBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])nn1C)C1CC1 ZINC000356423417 144001261 /nfs/dbraw/zinc/00/12/61/144001261.db2.gz IBGHSYGWMWXFJN-UHFFFAOYSA-N 0 3 281.316 0.542 20 5 CCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N(C)C1CC1 ZINC000356458783 144004628 /nfs/dbraw/zinc/00/46/28/144004628.db2.gz BMQZNPRHFGWCKD-QMMMGPOBSA-N 0 3 281.316 0.541 20 5 CCBDHN CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCN(C2CC2)C1 ZINC000356481007 144006860 /nfs/dbraw/zinc/00/68/60/144006860.db2.gz PFQVLKDKQZHFBH-JTQLQIEISA-N 0 3 293.327 0.637 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCN1C ZINC000357042796 144053401 /nfs/dbraw/zinc/05/34/01/144053401.db2.gz SJXLMPLKYIJZCM-RKDXNWHRSA-N 0 3 281.316 0.541 20 5 CCBDHN CCN1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357055682 144054385 /nfs/dbraw/zinc/05/43/85/144054385.db2.gz OCMYUEFYWNTNAE-JTQLQIEISA-N 0 3 295.343 0.885 20 5 CCBDHN CN(C[C@@H](O)COc1ccc([N+](=O)[O-])c(CO)c1)C1CC1 ZINC000357439565 144091484 /nfs/dbraw/zinc/09/14/84/144091484.db2.gz NCIACEJFBPAMSZ-GFCCVEGCSA-N 0 3 296.323 0.921 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548962747 286081887 /nfs/dbraw/zinc/08/18/87/286081887.db2.gz WYQWBONHSCQCPK-XCBNKYQSSA-N 0 3 279.300 0.530 20 5 CCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000283204397 287174398 /nfs/dbraw/zinc/17/43/98/287174398.db2.gz YPWJTPUZGMHZEC-MRVPVSSYSA-N 0 3 299.308 0.502 20 5 CCBDHN CN1CC=C(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285726018 196380262 /nfs/dbraw/zinc/38/02/62/196380262.db2.gz GCPGQYKXSOMEOZ-UHFFFAOYSA-N 0 3 265.273 0.310 20 5 CCBDHN C[C@@H](NCCCS(N)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000045064993 175299716 /nfs/dbraw/zinc/29/97/16/175299716.db2.gz XDBOOAJHXXLEKS-SECBINFHSA-N 0 3 287.341 0.924 20 5 CCBDHN COC[C@H](O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000071272307 176104727 /nfs/dbraw/zinc/10/47/27/176104727.db2.gz IPRJPHDFHNZMID-SNVBAGLBSA-N 0 3 270.285 0.700 20 5 CCBDHN C[C@H](NCCN1C(=O)CNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178655994 279469384 /nfs/dbraw/zinc/46/93/84/279469384.db2.gz JSGHGXJQTYLCGA-VIFPVBQESA-N 0 3 292.295 0.797 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1C ZINC000379462293 329558514 /nfs/dbraw/zinc/55/85/14/329558514.db2.gz CRVUDDJWGQLUPV-BDAKNGLRSA-N 0 3 266.301 0.756 20 5 CCBDHN N[C@@H]1C[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000575935142 335133642 /nfs/dbraw/zinc/13/36/42/335133642.db2.gz GXPKVXAMOZUKST-PSASIEDQSA-N 0 3 294.286 0.482 20 5 CCBDHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000581539742 336097520 /nfs/dbraw/zinc/09/75/20/336097520.db2.gz RPPJICJOSFUXQZ-MRVPVSSYSA-N 0 3 267.289 0.390 20 5 CCBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000360803221 535942583 /nfs/dbraw/zinc/94/25/83/535942583.db2.gz RTXROWXXWQALMX-VIFPVBQESA-N 0 3 281.316 0.495 20 5 CCBDHN COCCN(C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000061401129 523599427 /nfs/dbraw/zinc/59/94/27/523599427.db2.gz AIFCNISBLPVZEE-UHFFFAOYSA-N 0 3 296.327 0.485 20 5 CCBDHN CN(c1ccc([N+](=O)[O-])cn1)C1CCN(CCO)CC1 ZINC000357615955 523642650 /nfs/dbraw/zinc/64/26/50/523642650.db2.gz VOQIUAJMQDHEKU-UHFFFAOYSA-N 0 3 280.328 0.883 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)n1 ZINC000425047913 534760054 /nfs/dbraw/zinc/76/00/54/534760054.db2.gz ALEKKJRQICEIMJ-VHSXEESVSA-N 0 3 293.327 0.495 20 5 CCBDHN CN(C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000360803220 535959031 /nfs/dbraw/zinc/95/90/31/535959031.db2.gz RTXROWXXWQALMX-SECBINFHSA-N 0 3 281.316 0.495 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCNC[C@H]1C ZINC000261607757 535969015 /nfs/dbraw/zinc/96/90/15/535969015.db2.gz AHKXYMXIFUTBRA-MRVPVSSYSA-N 0 3 253.306 0.918 20 5 CCBDHN CN1CCC[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000778541422 581159247 /nfs/dbraw/zinc/15/92/47/581159247.db2.gz FAQIPZIGWZLSHU-OLZOCXBDSA-N 0 3 293.323 0.839 20 5 CCBDHN Cc1n[nH]c(C(=O)NCCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000783921424 581367327 /nfs/dbraw/zinc/36/73/27/581367327.db2.gz RWEYVVVAJCQMNX-QMMMGPOBSA-N 0 3 281.316 0.840 20 5 CCBDHN C[C@]1(C(N)=O)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796576258 581444236 /nfs/dbraw/zinc/44/42/36/581444236.db2.gz RLUUAISNMMOREP-JSGCOSHPSA-N 0 3 293.323 0.826 20 5 CCBDHN CC[C@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749649553 582016101 /nfs/dbraw/zinc/01/61/01/582016101.db2.gz WWMVQKZWHCOCCW-PWSUYJOCSA-N 0 3 254.286 0.989 20 5 CCBDHN CC(=O)N1CC[C@](C)(C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813111602 613579386 /nfs/dbraw/zinc/57/93/86/613579386.db2.gz VMVHHMWTPTVXNN-KWQFWETISA-N 0 3 258.274 0.453 20 5 CCBDHN CC(C)c1n[nH]c(C(=O)N2CCN3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000597707550 614297301 /nfs/dbraw/zinc/29/73/01/614297301.db2.gz DUYHQIYXVKBRDI-VIFPVBQESA-N 0 3 293.327 0.971 20 5 CCBDHN CC(C)c1[nH]nc(C(=O)N2CCN3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000597707550 614297303 /nfs/dbraw/zinc/29/73/03/614297303.db2.gz DUYHQIYXVKBRDI-VIFPVBQESA-N 0 3 293.327 0.971 20 5 CCBDHN CCC(=O)N[C@@H](CCSC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103149 614858919 /nfs/dbraw/zinc/85/89/19/614858919.db2.gz AISRPTHAPVWXSX-IUCAKERBSA-N 0 3 292.357 0.843 20 5 CCBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000832302143 615054018 /nfs/dbraw/zinc/05/40/18/615054018.db2.gz NUFZUKBMFKEERU-UHFFFAOYSA-N 0 3 299.302 0.778 20 5 CCBDHN CCN1CCN([C@H](C)CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891830191 615162542 /nfs/dbraw/zinc/16/25/42/615162542.db2.gz VYHFXGHCLLZNTM-LLVKDONJSA-N 0 3 296.375 0.766 20 5 CCBDHN CCN1C[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819350766 615366702 /nfs/dbraw/zinc/36/67/02/615366702.db2.gz ULXTZDPSZJLFPZ-WCQYABFASA-N 0 3 293.323 0.839 20 5 CCBDHN CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839712696 616051102 /nfs/dbraw/zinc/05/11/02/616051102.db2.gz KOAWDZRBXRQAMJ-VXGBXAGGSA-N 0 3 299.371 0.468 20 5 CCBDHN CN(CCO)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000899734330 616106747 /nfs/dbraw/zinc/10/67/47/616106747.db2.gz AODULBGTELBUNN-UHFFFAOYSA-N 0 3 285.275 0.388 20 5 CCBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000874845642 616216554 /nfs/dbraw/zinc/21/65/54/616216554.db2.gz XGBMVXNOSMRIGF-NEPJUHHUSA-N 0 3 293.327 0.486 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@@H]2C1 ZINC000816949637 616359470 /nfs/dbraw/zinc/35/94/70/616359470.db2.gz AYFTUEQMRPHGTH-TVQRCGJNSA-N 0 3 290.323 0.953 20 5 CCBDHN CC(COC(=O)c1cnc2n1CCOC2)[N+](=O)[O-] ZINC000851036004 623631638 /nfs/dbraw/zinc/63/16/38/623631638.db2.gz DEFUIAHFVHXJLR-ZETCQYMHSA-N 0 3 255.230 0.235 20 5 CCBDHN CC(COC(=O)[C@@H]1CCCCS1(=O)=O)[N+](=O)[O-] ZINC000813103877 624649249 /nfs/dbraw/zinc/64/92/49/624649249.db2.gz HQBHIRUOVGDIOY-SFYZADRCSA-N 0 3 265.287 0.162 20 5 CCBDHN CC(COC(=O)c1cn(C2CCOCC2)nn1)[N+](=O)[O-] ZINC000813108087 624653606 /nfs/dbraw/zinc/65/36/06/624653606.db2.gz AFMNITJLFYDURN-QMMMGPOBSA-N 0 3 284.272 0.452 20 5 CCBDHN C[C@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895249115 632034020 /nfs/dbraw/zinc/03/40/20/632034020.db2.gz OSYMCOZSNXHPOB-ONGXEEELSA-N 0 3 295.343 0.742 20 5 CCBDHN O=C(NC1CCN(C/C=C\Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789615 639456357 /nfs/dbraw/zinc/45/63/57/639456357.db2.gz WARZXCMICXTREF-UGJREKFNSA-N 0 3 287.747 0.985 20 5 CCBDHN CC(COC(=O)[C@@H]1CCc2cnn(C)c2C1)[N+](=O)[O-] ZINC000813105274 641022039 /nfs/dbraw/zinc/02/20/39/641022039.db2.gz LHIRWKJKAKSUMG-RKDXNWHRSA-N 0 3 267.285 0.733 20 5 CCBDHN CC(COC(=O)c1ccnc2c1nnn2C)[N+](=O)[O-] ZINC000813103836 641022208 /nfs/dbraw/zinc/02/22/08/641022208.db2.gz UXWORJBWNNTDRT-LURJTMIESA-N 0 3 265.229 0.185 20 5 CCBDHN CC(COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813103697 641022578 /nfs/dbraw/zinc/02/25/78/641022578.db2.gz FLVCMJPEGTTYCR-ZCFIWIBFSA-N 0 3 269.213 0.999 20 5 CCBDHN CC(COC(=O)c1cc([N+](=O)[O-])cn1C)[N+](=O)[O-] ZINC000813108005 641023619 /nfs/dbraw/zinc/02/36/19/641023619.db2.gz SVWCEMXBFFGSCK-ZCFIWIBFSA-N 0 3 257.202 0.755 20 5 CCBDHN CC(COC(=O)c1cnc(N(C)C)cn1)[N+](=O)[O-] ZINC000847714472 643549643 /nfs/dbraw/zinc/54/96/43/643549643.db2.gz VFSKNJDREUALTI-SSDOTTSWSA-N 0 3 254.246 0.365 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000928449018 648636941 /nfs/dbraw/zinc/63/69/41/648636941.db2.gz DIRURVLNWJQQFQ-WPRPVWTQSA-N 0 3 267.289 0.000 20 5 CCBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC001122064476 799134317 /nfs/dbraw/zinc/13/43/17/799134317.db2.gz YYZBKMKJEJHBJE-VIFPVBQESA-N 0 3 295.270 0.595 20 5 CCBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@@H]21 ZINC001141197182 799989739 /nfs/dbraw/zinc/98/97/39/799989739.db2.gz UTYKGKHJGXFJTQ-APPZFPTMSA-N 0 3 265.273 0.094 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CCN1C ZINC001155894674 801072469 /nfs/dbraw/zinc/07/24/69/801072469.db2.gz XDXGYMRCFDFFJM-PELKAZGASA-N 0 3 278.312 0.999 20 5 CCBDHN C[C@H](Nc1nc(Cl)ncc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159488456 801816765 /nfs/dbraw/zinc/81/67/65/801816765.db2.gz DGEYDKCRKXOMDF-XPUUQOCRSA-N 0 3 287.707 0.827 20 5 CCBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1N)[C@H]1CNCCO1 ZINC001159500797 801825782 /nfs/dbraw/zinc/82/57/82/801825782.db2.gz TYWSTMDKDFOAIN-OIBJUYFYSA-N 0 3 267.289 0.361 20 5 CCBDHN O=C(CNc1cc2c(cc1[N+](=O)[O-])CNC2)NC1CC1 ZINC001161897340 802241268 /nfs/dbraw/zinc/24/12/68/802241268.db2.gz HOXKQJHWVDBHFU-UHFFFAOYSA-N 0 3 276.296 0.889 20 5 CCBDHN O=C1NCC[C@H]1N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567431 808261775 /nfs/dbraw/zinc/26/17/75/808261775.db2.gz OAIYEVDQSWZEHE-CMPLNLGQSA-N 0 3 261.281 0.540 20 5 CCBDHN NCc1ccnn1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001162593220 819319076 /nfs/dbraw/zinc/31/90/76/819319076.db2.gz CWSYMGMEPOPYEW-UHFFFAOYSA-N 0 3 258.241 0.887 20 5 CCBDHN COc1ncnc(-n2cnc(CN)c2)c1[N+](=O)[O-] ZINC001154907135 821719350 /nfs/dbraw/zinc/71/93/50/821719350.db2.gz WAGOZNKYMVYEME-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN Cc1cc(CN)nn1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001156038931 822297509 /nfs/dbraw/zinc/29/75/09/822297509.db2.gz ZROBDQZBSABZHN-UHFFFAOYSA-N 0 3 268.664 0.991 20 5 CCBDHN COc1nc(NC(=N)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001157914891 837693705 /nfs/dbraw/zinc/69/37/05/837693705.db2.gz OGXHRDQQKFYISV-UHFFFAOYSA-N 0 3 294.315 0.592 20 5 CCBDHN CCOC(=O)CC1(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)COC1 ZINC001168978438 836077448 /nfs/dbraw/zinc/07/74/48/836077448.db2.gz SDVPUJDDKBHZLE-MNOVXSKESA-N 0 3 286.328 0.744 20 5 CCBDHN Cc1nc(=N)n([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1CN ZINC001169006309 836094720 /nfs/dbraw/zinc/09/47/20/836094720.db2.gz XGPQIFZVIPUOMR-MWLCHTKSSA-N 0 3 265.317 0.748 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCO[C@@]3(CCOC3)C2)C1 ZINC001169013076 836099877 /nfs/dbraw/zinc/09/98/77/836099877.db2.gz TXDLUPRMNKSMGL-UPJWGTAASA-N 0 3 270.329 0.923 20 5 CCBDHN CN1CCCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1=O ZINC001169038285 836112266 /nfs/dbraw/zinc/11/22/66/836112266.db2.gz XUNHWPJJPZHMRH-GHMZBOCLSA-N 0 3 255.318 0.596 20 5 CCBDHN O=C1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)CO1 ZINC001169121454 836138130 /nfs/dbraw/zinc/13/81/30/836138130.db2.gz JXGOTXRCCXUIBF-SECBINFHSA-N 0 3 263.253 0.925 20 5 CCBDHN C[C@@H](N)c1ccn(-c2c(F)c([N+](=O)[O-])cc[n+]2[O-])n1 ZINC001169229350 836165596 /nfs/dbraw/zinc/16/55/96/836165596.db2.gz WITLSUUSFUGPJV-ZCFIWIBFSA-N 0 3 267.220 0.573 20 5 CCBDHN CN1CCOC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169658066 836411555 /nfs/dbraw/zinc/41/15/55/836411555.db2.gz UWGRYUUBADJMTR-GFCCVEGCSA-N 0 3 292.339 0.941 20 5 CCBDHN C[C@@H](Nc1cnc(F)c([N+](=O)[O-])c1)[C@@H]1CNCCO1 ZINC001170575865 838164220 /nfs/dbraw/zinc/16/42/20/838164220.db2.gz XNJFVIGRWXAKEW-XCBNKYQSSA-N 0 3 270.264 0.918 20 5 CCBDHN CC(COC(=O)[C@@H]1COCCN1CC(F)F)[N+](=O)[O-] ZINC000813100971 838675830 /nfs/dbraw/zinc/67/58/30/838675830.db2.gz ZJACJGQMCHPMLN-SFYZADRCSA-N 0 3 282.243 0.161 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCNC2(CC2)C1 ZINC001158938117 838695861 /nfs/dbraw/zinc/69/58/61/838695861.db2.gz PEOYEZDCKGIPBV-UHFFFAOYSA-N 0 3 264.285 0.479 20 5 CCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cnon1 ZINC001135573536 839300157 /nfs/dbraw/zinc/30/01/57/839300157.db2.gz HYJRFHCNYYDSJF-UHFFFAOYSA-N 0 3 291.267 0.497 20 5 CCBDHN CC[C@@](N)(CO)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170864308 839458154 /nfs/dbraw/zinc/45/81/54/839458154.db2.gz SSYUDLAZKXBMTM-LBPRGKRZSA-N 0 3 266.301 0.667 20 5 CCBDHN Cc1nc(N2CC(N[C@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001187739728 844759630 /nfs/dbraw/zinc/75/96/30/844759630.db2.gz GMWQXSRKMJDBAK-VIFPVBQESA-N 0 3 279.300 0.260 20 5 CCBDHN CC(C)[C@H]1CN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CCN1C ZINC001339542156 921756841 /nfs/dbraw/zinc/75/68/41/921756841.db2.gz PWOUYQZQRVDIIB-WDEREUQCSA-N 0 3 296.375 0.929 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCCN1C ZINC001336203979 920657590 /nfs/dbraw/zinc/65/75/90/920657590.db2.gz ROBXZVFZZSTVQN-LLVKDONJSA-N 0 3 295.343 0.700 20 5 CCBDHN CC(C)(COC(=O)C1CCCN(C2CC2)C1=O)[N+](=O)[O-] ZINC001344133639 923559471 /nfs/dbraw/zinc/55/94/71/923559471.db2.gz ABCRSPQICZBKCI-SNVBAGLBSA-N 0 3 284.312 0.986 20 5 CCBDHN C[C@@H]1CCN(CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001444713231 929940771 /nfs/dbraw/zinc/94/07/71/929940771.db2.gz CXQMWKRIYBXKNI-SECBINFHSA-N 0 3 293.327 0.644 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CNC1 ZINC000090289296 349436116 /nfs/dbraw/zinc/43/61/16/349436116.db2.gz FIMUJOLBEQPZSW-UHFFFAOYSA-N 0 3 271.298 0.153 20 5 CCBDHN O=C(C[C@H]1CNCCO1)NCc1cccc([N+](=O)[O-])c1 ZINC000091311662 349461467 /nfs/dbraw/zinc/46/14/67/349461467.db2.gz JYHQTVJJMZRGJK-LBPRGKRZSA-N 0 3 279.296 0.590 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599639289 361767828 /nfs/dbraw/zinc/76/78/28/361767828.db2.gz BGBMAMBRQLJSKK-WCQYABFASA-N 0 3 280.328 0.886 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000093333560 349539150 /nfs/dbraw/zinc/53/91/50/349539150.db2.gz YJQSZEKYXUECHZ-PWSUYJOCSA-N 0 3 281.312 0.459 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599937130 361835413 /nfs/dbraw/zinc/83/54/13/361835413.db2.gz FCYGPBRYUIANPZ-VHSXEESVSA-N 0 3 294.311 0.204 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599937130 361835416 /nfs/dbraw/zinc/83/54/16/361835416.db2.gz FCYGPBRYUIANPZ-VHSXEESVSA-N 0 3 294.311 0.204 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599937130 361835421 /nfs/dbraw/zinc/83/54/21/361835421.db2.gz FCYGPBRYUIANPZ-VHSXEESVSA-N 0 3 294.311 0.204 20 5 CCBDHN CC1(OCC(=O)NCc2ccccc2[N+](=O)[O-])CNC1 ZINC000098060754 349650872 /nfs/dbraw/zinc/65/08/72/349650872.db2.gz VGMYKPHDDRZKBH-UHFFFAOYSA-N 0 3 279.296 0.590 20 5 CCBDHN CN(CCN1CCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000103115652 349689073 /nfs/dbraw/zinc/68/90/73/349689073.db2.gz PNGXLJFBKNFVPJ-UHFFFAOYSA-N 0 3 295.343 0.736 20 5 CCBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000104220194 349712852 /nfs/dbraw/zinc/71/28/52/349712852.db2.gz BHHVKPMGPPBNTP-SECBINFHSA-N 0 3 287.341 0.919 20 5 CCBDHN CC(C)N(CCN(C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000151874750 290661018 /nfs/dbraw/zinc/66/10/18/290661018.db2.gz RXGPZUGWCFWYQW-UHFFFAOYSA-N 0 3 297.359 0.980 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCn1cccn1 ZINC000602781730 362798008 /nfs/dbraw/zinc/79/80/08/362798008.db2.gz FZQSQXBXMSMXTL-UHFFFAOYSA-N 0 3 278.316 0.928 20 5 CCBDHN C[C@H]1COCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602818181 362817136 /nfs/dbraw/zinc/81/71/36/362817136.db2.gz CEFTVVUURUBVER-WCBMZHEXSA-N 0 3 254.290 0.843 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262405786 137042389 /nfs/dbraw/zinc/04/23/89/137042389.db2.gz QBWJYIVBFKSVLH-DTWKUNHWSA-N 0 3 278.312 0.999 20 5 CCBDHN CC[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040835094 348244448 /nfs/dbraw/zinc/24/44/48/348244448.db2.gz IINOTYJNOZLUIR-NSHDSACASA-N 0 3 293.327 0.376 20 5 CCBDHN COC(=O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000347011504 137315924 /nfs/dbraw/zinc/31/59/24/137315924.db2.gz GLIHQPKMLJTQDH-NXEZZACHSA-N 0 3 282.300 0.675 20 5 CCBDHN CCN1CCC(N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000045906662 348345681 /nfs/dbraw/zinc/34/56/81/348345681.db2.gz ZPFXATQVPSKBNW-UHFFFAOYSA-N 0 3 295.343 0.734 20 5 CCBDHN COC[C@@](C)(CO)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000602932604 362894004 /nfs/dbraw/zinc/89/40/04/362894004.db2.gz QKUSZUOOOCHYMH-CYBMUJFWSA-N 0 3 284.312 0.961 20 5 CCBDHN C[C@@H]1[C@H](CO)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000412081538 233034851 /nfs/dbraw/zinc/03/48/51/233034851.db2.gz MGXQDAWSVWJIQU-MNOVXSKESA-N 0 3 268.317 0.884 20 5 CCBDHN C[C@H]1[C@H](CO)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000412081541 233037406 /nfs/dbraw/zinc/03/74/06/233037406.db2.gz MGXQDAWSVWJIQU-QWRGUYRKSA-N 0 3 268.317 0.884 20 5 CCBDHN O=[N+]([O-])c1nn(C[C@@H]2CNCCO2)cc1Br ZINC000070833952 348898237 /nfs/dbraw/zinc/89/82/37/348898237.db2.gz HFRDLXNDUJBXLE-LURJTMIESA-N 0 3 291.105 0.542 20 5 CCBDHN CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C1CC1 ZINC000076269834 349076807 /nfs/dbraw/zinc/07/68/07/349076807.db2.gz OFOBFNSHDHFGBM-UHFFFAOYSA-N 0 3 266.305 0.863 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)N1C ZINC000339618185 215271295 /nfs/dbraw/zinc/27/12/95/215271295.db2.gz BZTHDLXZDHOMNZ-VXGBXAGGSA-N 0 3 294.355 0.781 20 5 CCBDHN Cn1c(C(=O)N2CCNCC2(C)C)ccc1[N+](=O)[O-] ZINC000088138703 349357750 /nfs/dbraw/zinc/35/77/50/349357750.db2.gz WJEWVOWKPWDLPB-UHFFFAOYSA-N 0 3 266.301 0.757 20 5 CCBDHN C[C@@H](O)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000089931566 349413950 /nfs/dbraw/zinc/41/39/50/349413950.db2.gz VPRCWAQHXCJKJF-GHMZBOCLSA-N 0 3 268.317 0.884 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)s1 ZINC000123121832 350072324 /nfs/dbraw/zinc/07/23/24/350072324.db2.gz VUOHSZUQNHTPBE-LURJTMIESA-N 0 3 277.327 0.297 20 5 CCBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCNC2CC2)c1 ZINC000130945013 350255058 /nfs/dbraw/zinc/25/50/58/350255058.db2.gz WXLFNTRIBWZQRK-UHFFFAOYSA-N 0 3 299.352 0.766 20 5 CCBDHN COCCN(CCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000164592386 350780894 /nfs/dbraw/zinc/78/08/94/350780894.db2.gz RKCGTJNCZQBMEA-UHFFFAOYSA-N 0 3 272.305 0.040 20 5 CCBDHN COC(=O)[C@H](C)CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174862895 351108245 /nfs/dbraw/zinc/10/82/45/351108245.db2.gz KPNBCLBIZYABRO-SECBINFHSA-N 0 3 270.289 0.532 20 5 CCBDHN CC(C)(C)[C@@H](NCCn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000174852051 351108269 /nfs/dbraw/zinc/10/82/69/351108269.db2.gz RLCGGLOYOJXVEI-VIFPVBQESA-N 0 3 269.305 0.281 20 5 CCBDHN C[C@H](O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176239583 351164119 /nfs/dbraw/zinc/16/41/19/351164119.db2.gz YPJLAOJVRMGLBH-JTQLQIEISA-N 0 3 268.317 0.884 20 5 CCBDHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000184447382 351411307 /nfs/dbraw/zinc/41/13/07/351411307.db2.gz HKPAQFHVFZXFKX-SECBINFHSA-N 0 3 293.327 0.644 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](n3cccn3)C2)n1 ZINC000291597368 198045970 /nfs/dbraw/zinc/04/59/70/198045970.db2.gz BTCUNVHDFDXKBE-NSHDSACASA-N 0 3 276.300 0.935 20 5 CCBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000193239350 351818105 /nfs/dbraw/zinc/81/81/05/351818105.db2.gz QQBPMZUNJJNEBX-JTQLQIEISA-N 0 3 299.352 0.852 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)[C@@H]1CO ZINC000227195689 352040501 /nfs/dbraw/zinc/04/05/01/352040501.db2.gz WEHIXCNCCHBDKL-KOLCDFICSA-N 0 3 268.317 0.802 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)C1CC1 ZINC000269838367 352878974 /nfs/dbraw/zinc/87/89/74/352878974.db2.gz DJGAJANUDYBOAC-UHFFFAOYSA-N 0 3 267.285 0.213 20 5 CCBDHN CC1CCN(CCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000271107043 353023426 /nfs/dbraw/zinc/02/34/26/353023426.db2.gz LMLZWSBXENBURF-UHFFFAOYSA-N 0 3 295.343 0.790 20 5 CCBDHN Cc1n[nH]c(C(=O)N2C[C@H](C)NC[C@H]2C)c1[N+](=O)[O-] ZINC000272604635 353078994 /nfs/dbraw/zinc/07/89/94/353078994.db2.gz RJLFAAJWYVJNGV-NKWVEPMBSA-N 0 3 267.289 0.449 20 5 CCBDHN Cc1[nH]nc(C(=O)N2C[C@H](C)NC[C@H]2C)c1[N+](=O)[O-] ZINC000272604635 353078996 /nfs/dbraw/zinc/07/89/96/353078996.db2.gz RJLFAAJWYVJNGV-NKWVEPMBSA-N 0 3 267.289 0.449 20 5 CCBDHN CN1CC[C@@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@H]2C1 ZINC000272679414 353085473 /nfs/dbraw/zinc/08/54/73/353085473.db2.gz VGADJGOEQMBXGU-MNOVXSKESA-N 0 3 293.327 0.344 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)N(C)C ZINC000299565924 354028605 /nfs/dbraw/zinc/02/86/05/354028605.db2.gz YUHCOKPSYIZLBE-SECBINFHSA-N 0 3 283.332 0.556 20 5 CCBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1CO ZINC000305730453 354155617 /nfs/dbraw/zinc/15/56/17/354155617.db2.gz NGUWADKASNRSAO-WCQYABFASA-N 0 3 295.339 0.849 20 5 CCBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330547157 354405581 /nfs/dbraw/zinc/40/55/81/354405581.db2.gz AHSSXEGRFSAXSV-UHFFFAOYSA-N 0 3 296.327 0.764 20 5 CCBDHN CO[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000331267373 354511374 /nfs/dbraw/zinc/51/13/74/354511374.db2.gz JLYGSGUHKIOCRQ-WCFLWFBJSA-N 0 3 298.343 0.652 20 5 CCBDHN CS[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1N(C)C ZINC000332637900 354708464 /nfs/dbraw/zinc/70/84/64/354708464.db2.gz INXOXFDEKZNVSO-MWLCHTKSSA-N 0 3 299.400 0.806 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000351814205 356007314 /nfs/dbraw/zinc/00/73/14/356007314.db2.gz JJCNVXNJPRVUKF-SCDSUCTJSA-N 0 3 296.323 0.647 20 5 CCBDHN COc1cc(CN(C)CCC(N)=O)ccc1[N+](=O)[O-] ZINC000353216940 356180077 /nfs/dbraw/zinc/18/00/77/356180077.db2.gz WDBFYMGKNPRYGJ-UHFFFAOYSA-N 0 3 267.285 0.911 20 5 CCBDHN CN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCN(C2CC2)C1 ZINC000355949603 356674162 /nfs/dbraw/zinc/67/41/62/356674162.db2.gz VOGKIFMAYHLULT-NSHDSACASA-N 0 3 279.344 0.997 20 5 CCBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)C2CC2)c1[N+](=O)[O-] ZINC000356269666 356737191 /nfs/dbraw/zinc/73/71/91/356737191.db2.gz AALASKZYCJCGQB-UHFFFAOYSA-N 0 3 281.316 0.793 20 5 CCBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)C2CC2)c1[N+](=O)[O-] ZINC000356269666 356737193 /nfs/dbraw/zinc/73/71/93/356737193.db2.gz AALASKZYCJCGQB-UHFFFAOYSA-N 0 3 281.316 0.793 20 5 CCBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000359503400 356834442 /nfs/dbraw/zinc/83/44/42/356834442.db2.gz XEHASDDWHZCYFK-UHFFFAOYSA-N 0 3 292.299 0.933 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CN)C(F)(F)F ZINC000401756850 357805116 /nfs/dbraw/zinc/80/51/16/357805116.db2.gz FHAFUQBZHKLYKR-SSDOTTSWSA-N 0 3 280.206 0.553 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCCCN2CCO)nc1 ZINC000450609130 236100426 /nfs/dbraw/zinc/10/04/26/236100426.db2.gz DVBJXQXFKVLWRG-SNVBAGLBSA-N 0 3 281.316 0.065 20 5 CCBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)C(F)(F)F)c1 ZINC000568619412 358689328 /nfs/dbraw/zinc/68/93/28/358689328.db2.gz BELKPVBZWKECDH-ZETCQYMHSA-N 0 3 268.195 0.304 20 5 CCBDHN CNc1nccc(C(=O)NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000569590230 358776592 /nfs/dbraw/zinc/77/65/92/358776592.db2.gz UJKKBVCVLIVTNU-SECBINFHSA-N 0 3 293.327 0.277 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000588866647 359344855 /nfs/dbraw/zinc/34/48/55/359344855.db2.gz NNVZMTTYIMDXKM-VIFPVBQESA-N 0 3 285.275 0.386 20 5 CCBDHN Cn1c(C(=O)N[C@@H](CO)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000590371545 359445226 /nfs/dbraw/zinc/44/52/26/359445226.db2.gz LATMSIPEMKTMFW-SNVBAGLBSA-N 0 3 296.327 0.120 20 5 CCBDHN COC1CCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000611212395 363683529 /nfs/dbraw/zinc/68/35/29/363683529.db2.gz MXOXRYMVRYXLHU-UHFFFAOYSA-N 0 3 297.315 0.159 20 5 CCBDHN CN(CCN1CCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000593883718 360193666 /nfs/dbraw/zinc/19/36/66/360193666.db2.gz SARIQSLVENOZRS-UHFFFAOYSA-N 0 3 295.343 0.886 20 5 CCBDHN CNc1nccc(C(=O)NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000594236215 360261694 /nfs/dbraw/zinc/26/16/94/360261694.db2.gz VQLHXHIRDJDXTD-MRVPVSSYSA-N 0 3 281.316 0.133 20 5 CCBDHN O=c1c2ccc([N+](=O)[O-])cc2ncn1C[C@@H]1CNCCO1 ZINC000594699467 360361291 /nfs/dbraw/zinc/36/12/91/360361291.db2.gz UHZMEZHEALAHFE-JTQLQIEISA-N 0 3 290.279 0.293 20 5 CCBDHN O=c1c2ccccc2n(C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000594696289 360362159 /nfs/dbraw/zinc/36/21/59/360362159.db2.gz OHCDRWRBRPMTJV-JTQLQIEISA-N 0 3 289.291 0.898 20 5 CCBDHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595121466 360440581 /nfs/dbraw/zinc/44/05/81/360440581.db2.gz JZPQXLIYGUSZNC-ZCFIWIBFSA-N 0 3 279.343 0.543 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1O ZINC000595743546 360635945 /nfs/dbraw/zinc/63/59/45/360635945.db2.gz NXDHBPZGGMYEHX-GHMZBOCLSA-N 0 3 295.339 0.705 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1O ZINC000595745327 360637587 /nfs/dbraw/zinc/63/75/87/360637587.db2.gz RFCJNTYMEDOXEF-CKYFFXLPSA-N 0 3 298.343 0.101 20 5 CCBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H]3CNCCO3)CC2)n1 ZINC000595890984 360691839 /nfs/dbraw/zinc/69/18/39/360691839.db2.gz GXMLZJMDRMDVPO-GFCCVEGCSA-N 0 3 295.343 0.417 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC2(CNC2)C1 ZINC000596097285 360794197 /nfs/dbraw/zinc/79/41/97/360794197.db2.gz DLEDARWDESMGFS-UHFFFAOYSA-N 0 3 291.307 0.718 20 5 CCBDHN CN(C)CCOCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596182345 360825517 /nfs/dbraw/zinc/82/55/17/360825517.db2.gz BGFSJUSZAYXOOB-UHFFFAOYSA-N 0 3 296.327 0.684 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](CO)CN(C)C ZINC000596242944 360850065 /nfs/dbraw/zinc/85/00/65/360850065.db2.gz GPGRNWFHCUPMOK-VIFPVBQESA-N 0 3 271.321 0.454 20 5 CCBDHN CN(C)C[C@H](CO)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000596243023 360850146 /nfs/dbraw/zinc/85/01/46/360850146.db2.gz JIPNVUNIONGSSY-SECBINFHSA-N 0 3 291.311 0.872 20 5 CCBDHN CC(C)[C@@H](CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000180615101 189265659 /nfs/dbraw/zinc/26/56/59/189265659.db2.gz DFVDPTVAOAFZOS-LLVKDONJSA-N 0 3 281.312 0.800 20 5 CCBDHN COc1cccc(C(=O)N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000597654247 361174947 /nfs/dbraw/zinc/17/49/47/361174947.db2.gz QWTGRRXMZKKYOS-SECBINFHSA-N 0 3 297.311 0.256 20 5 CCBDHN C[C@@H](C(=O)N[C@H](CO)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597652664 361175192 /nfs/dbraw/zinc/17/51/92/361175192.db2.gz DJGBOYNHEPPWCK-PWSUYJOCSA-N 0 3 295.339 0.737 20 5 CCBDHN CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCN(CC)C1 ZINC000598042507 361322107 /nfs/dbraw/zinc/32/21/07/361322107.db2.gz PAZJODOVQSTHBD-SNVBAGLBSA-N 0 3 296.331 0.129 20 5 CCBDHN N[C@@H]1C[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)CCN2C1=O ZINC000564101303 291267199 /nfs/dbraw/zinc/26/71/99/291267199.db2.gz IPOBJVMVJXAQEJ-NXEZZACHSA-N 0 3 296.352 0.400 20 5 CCBDHN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1 ZINC000598569729 361446610 /nfs/dbraw/zinc/44/66/10/361446610.db2.gz DDUFYSDSIKCZII-JTQLQIEISA-N 0 3 266.301 0.993 20 5 CCBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1 ZINC000598573013 361447499 /nfs/dbraw/zinc/44/74/99/361447499.db2.gz NSWZGZMETVCRGB-VIFPVBQESA-N 0 3 267.289 0.388 20 5 CCBDHN CC(C)[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCN1 ZINC000598572128 361447884 /nfs/dbraw/zinc/44/78/84/361447884.db2.gz LJXYCMZIHXOAME-SNVBAGLBSA-N 0 3 293.327 0.472 20 5 CCBDHN O=[N+]([O-])c1ccc(CNCCN2CC[C@H](O)C2)cc1 ZINC000599018116 361557155 /nfs/dbraw/zinc/55/71/55/361557155.db2.gz DPYKNKPEENAQSQ-ZDUSSCGKSA-N 0 3 265.313 0.751 20 5 CCBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H](C)N1 ZINC000599110667 361575903 /nfs/dbraw/zinc/57/59/03/361575903.db2.gz YFDBADRBCZKWBU-DTORHVGOSA-N 0 3 278.312 0.880 20 5 CCBDHN C[C@@H](CCN1CCN(C)CC1)Nc1c([N+](=O)[O-])ncn1C ZINC000613704408 364350568 /nfs/dbraw/zinc/35/05/68/364350568.db2.gz JTMVGGJOXMYWOZ-NSHDSACASA-N 0 3 296.375 0.766 20 5 CCBDHN CCN1CCC(N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000330596413 203016713 /nfs/dbraw/zinc/01/67/13/203016713.db2.gz RNNVKBYJEYKXQG-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@](O)(CO)C2)cc1 ZINC000459646723 249049839 /nfs/dbraw/zinc/04/98/39/249049839.db2.gz NBEKYEATRAMSGV-AWEZNQCLSA-N 0 3 296.323 0.793 20 5 CCBDHN CO[C@@H]1COC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000459823185 249065531 /nfs/dbraw/zinc/06/55/31/249065531.db2.gz IJXRYOKVUKRUNY-QWHCGFSZSA-N 0 3 282.296 0.977 20 5 CCBDHN CNc1nc(C(=O)NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000455012388 533076221 /nfs/dbraw/zinc/07/62/21/533076221.db2.gz RRLCYXMZDLZMJS-UHFFFAOYSA-N 0 3 293.327 0.856 20 5 CCBDHN CNc1nc(C(=O)N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000456045328 533077462 /nfs/dbraw/zinc/07/74/62/533077462.db2.gz KZQUUYIHSXLYSY-QMMMGPOBSA-N 0 3 281.316 0.711 20 5 CCBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000247052887 389235867 /nfs/dbraw/zinc/23/58/67/389235867.db2.gz IJCSWQQTGNVGSY-GHMZBOCLSA-N 0 3 295.343 0.636 20 5 CCBDHN CC[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000156984812 389329288 /nfs/dbraw/zinc/32/92/88/389329288.db2.gz ODCLPZPQJSOQBK-SNVBAGLBSA-N 0 3 269.305 0.248 20 5 CCBDHN O=C1CC2(CN1)CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000350059531 389483227 /nfs/dbraw/zinc/48/32/27/389483227.db2.gz LASGZDYHGWRBGL-UHFFFAOYSA-N 0 3 293.327 0.393 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[NH2+]C2)s1 ZINC000178892542 389626872 /nfs/dbraw/zinc/62/68/72/389626872.db2.gz FXDKGFHNHPMOQY-ZETCQYMHSA-N 0 3 291.354 0.687 20 5 CCBDHN CN1C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000425291260 389644203 /nfs/dbraw/zinc/64/42/03/389644203.db2.gz ZPKXRLTWWRPFHF-GXSJLCMTSA-N 0 3 263.301 0.915 20 5 CCBDHN COc1ccc(CNC[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414966221 389649111 /nfs/dbraw/zinc/64/91/11/389649111.db2.gz OFXLOQVESAEKHC-GFCCVEGCSA-N 0 3 294.355 0.597 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CNCCN1C ZINC000414980236 389650960 /nfs/dbraw/zinc/65/09/60/389650960.db2.gz VNSVQLVPIWBWQX-AWEZNQCLSA-N 0 3 278.356 0.896 20 5 CCBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000416290701 389726436 /nfs/dbraw/zinc/72/64/36/389726436.db2.gz MQHPHAHYDCZNGG-UHFFFAOYSA-N 0 3 266.301 0.757 20 5 CCBDHN COCCN(CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000352032665 389739688 /nfs/dbraw/zinc/73/96/88/389739688.db2.gz NIIIXEVBYZWZDX-UHFFFAOYSA-N 0 3 254.290 0.902 20 5 CCBDHN CN1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000416493856 389748935 /nfs/dbraw/zinc/74/89/35/389748935.db2.gz GTJFRLYTGZWVPN-SNVBAGLBSA-N 0 3 299.352 0.825 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]C[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000447242837 389948919 /nfs/dbraw/zinc/94/89/19/389948919.db2.gz DNXWEYVVSIFEIT-SNVBAGLBSA-N 0 3 299.352 0.919 20 5 CCBDHN CC(C)(N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000579471318 390175875 /nfs/dbraw/zinc/17/58/75/390175875.db2.gz SVOFRBOSWQGHMB-UHFFFAOYSA-N 0 3 281.316 0.692 20 5 CCBDHN CC[C@@]1(O)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000495190792 390222476 /nfs/dbraw/zinc/22/24/76/390222476.db2.gz IWHXWHAQFSPJMN-LLVKDONJSA-N 0 3 254.290 0.638 20 5 CCBDHN C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N(C)C1CC1 ZINC000547763291 390397385 /nfs/dbraw/zinc/39/73/85/390397385.db2.gz KVNITYDESJWZAL-SSDOTTSWSA-N 0 3 267.289 0.530 20 5 CCBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](O)CO ZINC000347375774 533409072 /nfs/dbraw/zinc/40/90/72/533409072.db2.gz KQUFXSHOILUQFV-KADSFNECSA-N 0 3 266.297 0.941 20 5 CCBDHN N[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000261606608 131156493 /nfs/dbraw/zinc/15/64/93/131156493.db2.gz ATQHJKZBVLTPKT-ZDUSSCGKSA-N 0 3 293.323 0.965 20 5 CCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N(C)C ZINC000356460606 144004560 /nfs/dbraw/zinc/00/45/60/144004560.db2.gz DQYPDULVNIJCEK-ZETCQYMHSA-N 0 3 255.278 0.008 20 5 CCBDHN CN(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356478657 144006167 /nfs/dbraw/zinc/00/61/67/144006167.db2.gz LUQBDTAACUHMHB-QMMMGPOBSA-N 0 3 267.289 0.104 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000358070501 144149341 /nfs/dbraw/zinc/14/93/41/144149341.db2.gz VUWBTWUVVBBYNS-CYBMUJFWSA-N 0 3 297.286 0.530 20 5 CCBDHN CN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000548079371 286003455 /nfs/dbraw/zinc/00/34/55/286003455.db2.gz QYYLKVSVAFJJMQ-UHFFFAOYSA-N 0 3 267.289 0.484 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000078570680 177355146 /nfs/dbraw/zinc/35/51/46/177355146.db2.gz QZEGKTDHNSXEFF-SNVBAGLBSA-N 0 3 293.327 0.840 20 5 CCBDHN CC[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040858298 276577265 /nfs/dbraw/zinc/57/72/65/276577265.db2.gz JREABORYMHXFFW-NSHDSACASA-N 0 3 292.339 0.981 20 5 CCBDHN CN1CC[C@]2(CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)C1 ZINC000292254651 277186674 /nfs/dbraw/zinc/18/66/74/277186674.db2.gz KHZPRNKMMBHDBE-LBPRGKRZSA-N 0 3 278.316 0.499 20 5 CCBDHN CS[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271140224 278166031 /nfs/dbraw/zinc/16/60/31/278166031.db2.gz OWOPLDXHTMTKLI-IUCAKERBSA-N 0 3 299.356 0.436 20 5 CCBDHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111303427 279297986 /nfs/dbraw/zinc/29/79/86/279297986.db2.gz IQXHLKXDHJEZOE-SSDOTTSWSA-N 0 3 259.287 0.220 20 5 CCBDHN C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1 ZINC000052783392 279881601 /nfs/dbraw/zinc/88/16/01/279881601.db2.gz XVDIQMUMRLTBMB-QMMMGPOBSA-N 0 3 264.285 0.492 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268136021 280190234 /nfs/dbraw/zinc/19/02/34/280190234.db2.gz CLFBYYJFFPIOPF-OIBJUYFYSA-N 0 3 293.327 0.839 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)C[NH3+] ZINC000104205937 281262067 /nfs/dbraw/zinc/26/20/67/281262067.db2.gz IHUNEWSSJDQSOW-MRVPVSSYSA-N 0 3 273.314 0.529 20 5 CCBDHN Cc1cncc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000584227036 327069030 /nfs/dbraw/zinc/06/90/30/327069030.db2.gz CDLJVKNDPNSELH-CYBMUJFWSA-N 0 3 291.311 0.645 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCC1(O)CCN(C)CC1 ZINC000397586751 329377454 /nfs/dbraw/zinc/37/74/54/329377454.db2.gz JSFOGODWFWYICM-UHFFFAOYSA-N 0 3 296.327 0.120 20 5 CCBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC000384632873 336128088 /nfs/dbraw/zinc/12/80/88/336128088.db2.gz QKWDTBUHRACFJO-FOQNGQEVSA-N 0 3 291.307 0.713 20 5 CCBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000518137746 536386438 /nfs/dbraw/zinc/38/64/38/536386438.db2.gz RHIYPZWAJZLUET-SECBINFHSA-N 0 3 266.301 0.995 20 5 CCBDHN C[C@H]1CCCN1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000742424712 581108392 /nfs/dbraw/zinc/10/83/92/581108392.db2.gz BPXFMYBVUMXSQQ-VIFPVBQESA-N 0 3 293.327 0.985 20 5 CCBDHN CC(C)[C@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000796431289 581440316 /nfs/dbraw/zinc/44/03/16/581440316.db2.gz VJPQGEOESJBOSW-VIFPVBQESA-N 0 3 269.305 0.634 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000768765278 581654916 /nfs/dbraw/zinc/65/49/16/581654916.db2.gz CJNQUQNWELIUSH-OASPWFOLSA-N 0 3 266.297 0.941 20 5 CCBDHN CCN(CC)CCOC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772235540 581847894 /nfs/dbraw/zinc/84/78/94/581847894.db2.gz OEKVIWVXUZWMIJ-UHFFFAOYSA-N 0 3 270.289 0.827 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@H](CN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000733167155 581868774 /nfs/dbraw/zinc/86/87/74/581868774.db2.gz UAMBPAVQBIWSOY-SECBINFHSA-N 0 3 283.332 0.942 20 5 CCBDHN CN1CCC(ONC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000773553185 581933174 /nfs/dbraw/zinc/93/31/74/581933174.db2.gz WKGJEWQUSWFDPH-UHFFFAOYSA-N 0 3 268.273 0.679 20 5 CCBDHN NC(=O)c1ccc(CN[C@@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000763067166 581982840 /nfs/dbraw/zinc/98/28/40/581982840.db2.gz ITKSQZZFTWVZNA-LBPRGKRZSA-N 0 3 293.323 0.944 20 5 CCBDHN CC(C)CN1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813113538 614123302 /nfs/dbraw/zinc/12/33/02/614123302.db2.gz FQAZHTPXEUIXLL-NXEZZACHSA-N 0 3 272.301 0.699 20 5 CCBDHN CC(C)C[C@@]1(C(=O)OCC(C)[N+](=O)[O-])CCNC1=O ZINC000870376246 614209389 /nfs/dbraw/zinc/20/93/89/614209389.db2.gz DVAPLZJQZUFFAX-CABZTGNLSA-N 0 3 272.301 0.747 20 5 CCBDHN CCOC(=O)C1(C(=O)OCC(C)[N+](=O)[O-])CCOCC1 ZINC000813113905 615155357 /nfs/dbraw/zinc/15/53/57/615155357.db2.gz KOFGRUUHZUOBGK-SECBINFHSA-N 0 3 289.284 0.555 20 5 CCBDHN CN(C)C[C@H]1NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000924460770 615949331 /nfs/dbraw/zinc/94/93/31/615949331.db2.gz ILMDHLQHXQHDPD-LLVKDONJSA-N 0 3 292.295 0.577 20 5 CCBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000874845646 616216099 /nfs/dbraw/zinc/21/60/99/616216099.db2.gz XGBMVXNOSMRIGF-RYUDHWBXSA-N 0 3 293.327 0.486 20 5 CCBDHN COCCN1[C@H](C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1C ZINC000844022211 616478314 /nfs/dbraw/zinc/47/83/14/616478314.db2.gz LPAYZISGRPLJBG-WRWGMCAJSA-N 0 3 285.344 0.219 20 5 CCBDHN CO[C@@H]1CC[C@H]1N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000934115730 616713530 /nfs/dbraw/zinc/71/35/30/616713530.db2.gz SFFLHATZGVWOFW-VXGBXAGGSA-N 0 3 281.312 0.866 20 5 CCBDHN CNC(=O)c1cncc(/C=C\C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813109396 616926465 /nfs/dbraw/zinc/92/64/65/616926465.db2.gz JSMHLKWYNFSEAB-TYRPZCRBSA-N 0 3 293.279 0.663 20 5 CCBDHN C[S@@](=O)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158113328 622697959 /nfs/dbraw/zinc/69/79/59/622697959.db2.gz JVFDLKIZXNPQAK-ZMZPIMSZSA-N 0 3 272.326 0.596 20 5 CCBDHN C[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000932345844 624492144 /nfs/dbraw/zinc/49/21/44/624492144.db2.gz IRBNNTGURQNNDA-JQWIXIFHSA-N 0 3 284.316 0.263 20 5 CCBDHN CC(COC(=O)c1cnc2c(cnn2C)c1)[N+](=O)[O-] ZINC000813110162 624654631 /nfs/dbraw/zinc/65/46/31/624654631.db2.gz UCXMDFZOEXXCJY-ZETCQYMHSA-N 0 3 264.241 0.790 20 5 CCBDHN Cc1cc(N2CCN(C)CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000897097714 632398026 /nfs/dbraw/zinc/39/80/26/632398026.db2.gz ORSWWAKROUEQFM-UHFFFAOYSA-N 0 3 293.371 0.982 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)CCO ZINC000912609069 636620012 /nfs/dbraw/zinc/62/00/12/636620012.db2.gz WNJQAXGWPYSFGV-UHFFFAOYSA-N 0 3 295.339 0.899 20 5 CCBDHN O=[N+]([O-])c1ccnn1CN1CC[C@H](N2CC=CC2)C1 ZINC000172933042 637197364 /nfs/dbraw/zinc/19/73/64/637197364.db2.gz JUOXAHDLXXTIKQ-NSHDSACASA-N 0 3 263.301 0.695 20 5 CCBDHN CN1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000312757982 637453787 /nfs/dbraw/zinc/45/37/87/637453787.db2.gz WWDXYYMNRNJYHE-ZYHUDNBSSA-N 0 3 279.296 0.449 20 5 CCBDHN CN1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000312757976 637454245 /nfs/dbraw/zinc/45/42/45/637454245.db2.gz WWDXYYMNRNJYHE-PWSUYJOCSA-N 0 3 279.296 0.449 20 5 CCBDHN CC(COC(=O)Cc1csc(-c2nc[nH]n2)n1)[N+](=O)[O-] ZINC000813104531 641022453 /nfs/dbraw/zinc/02/24/53/641022453.db2.gz DMFPRZRDQQUUSH-LURJTMIESA-N 0 3 297.296 0.679 20 5 CCBDHN CC(COC(=O)c1cn(Cc2ccccn2)nn1)[N+](=O)[O-] ZINC000813115778 641024601 /nfs/dbraw/zinc/02/46/01/641024601.db2.gz ZLNHDGOJXBWNIO-VIFPVBQESA-N 0 3 291.267 0.543 20 5 CCBDHN CC(COC(=O)c1ccc(OCC(N)=O)cc1)[N+](=O)[O-] ZINC000813111727 641024713 /nfs/dbraw/zinc/02/47/13/641024713.db2.gz KQMHPRFRARIYHG-MRVPVSSYSA-N 0 3 282.252 0.373 20 5 CCBDHN CS(=O)(=O)CCNCCc1cccc([N+](=O)[O-])c1 ZINC000819192401 641387297 /nfs/dbraw/zinc/38/72/97/641387297.db2.gz YEOOSBLMNWBODH-UHFFFAOYSA-N 0 3 272.326 0.772 20 5 CCBDHN CC(COC(=O)[C@H]1CCc2ncncc2C1)[N+](=O)[O-] ZINC000842801490 642956554 /nfs/dbraw/zinc/95/65/54/642956554.db2.gz ITMSXRFXOJLPEM-IUCAKERBSA-N 0 3 265.269 0.790 20 5 CCBDHN Nc1nc(N)nc(N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000858459373 644622655 /nfs/dbraw/zinc/62/26/55/644622655.db2.gz WDWQBOIDSGKVCV-UHFFFAOYSA-N 0 3 287.283 0.507 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252667512 649831238 /nfs/dbraw/zinc/83/12/38/649831238.db2.gz KSSHECVLVZMGCD-UWVGGRQHSA-N 0 3 281.316 0.603 20 5 CCBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001122064088 799133302 /nfs/dbraw/zinc/13/33/02/799133302.db2.gz SIDXYNVIYQLYNV-JTQLQIEISA-N 0 3 295.270 0.595 20 5 CCBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN(C)C ZINC001140128450 799883514 /nfs/dbraw/zinc/88/35/14/799883514.db2.gz ZJGHEISRLOROKB-SECBINFHSA-N 0 3 299.302 0.695 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001149203989 800236632 /nfs/dbraw/zinc/23/66/32/800236632.db2.gz DQTAUDMAXFOHBP-UHFFFAOYSA-N 0 3 296.327 0.173 20 5 CCBDHN C[C@@H](C[N+](C)(C)C)Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1 ZINC001227430428 805348469 /nfs/dbraw/zinc/34/84/69/805348469.db2.gz KXDCJIVBHPCWML-LURJTMIESA-O 0 3 268.297 0.238 20 5 CCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H](O)[C@@H](CO)C1 ZINC001254551833 808259298 /nfs/dbraw/zinc/25/92/98/808259298.db2.gz GHKHQGRWUYVJBI-QKCSRTOESA-N 0 3 280.324 0.811 20 5 CCBDHN COc1ccc(C[C@@](C)(O)CNCC[N+](=O)[O-])cc1OC ZINC001262574690 809350357 /nfs/dbraw/zinc/35/03/57/809350357.db2.gz YGYXDTFCKWXUMS-CQSZACIVSA-N 0 3 298.339 0.864 20 5 CCBDHN COc1cnc(NC(=N)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001168736011 818540366 /nfs/dbraw/zinc/54/03/66/818540366.db2.gz XSXILHVUZAFRBL-UHFFFAOYSA-N 0 3 294.315 0.592 20 5 CCBDHN CN(CCO)CCN(C)c1ncc([N+](=O)[O-])s1 ZINC000701012918 818885792 /nfs/dbraw/zinc/88/57/92/818885792.db2.gz IKXRLMZDDACPBS-UHFFFAOYSA-N 0 3 260.319 0.412 20 5 CCBDHN Cc1c(CN2C[C@H](CO)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000705377261 819502781 /nfs/dbraw/zinc/50/27/81/819502781.db2.gz NATZIZXASOBHFP-BETUJISGSA-N 0 3 280.324 0.936 20 5 CCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2nccc2CN)n1 ZINC001155130459 822058000 /nfs/dbraw/zinc/05/80/00/822058000.db2.gz SVERLPYDDJQCCQ-UHFFFAOYSA-N 0 3 291.271 0.296 20 5 CCBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(C3COC3)CC2)C1 ZINC001169009124 836097904 /nfs/dbraw/zinc/09/79/04/836097904.db2.gz VQFUDBCJTXCQFM-RYUDHWBXSA-N 0 3 269.345 0.448 20 5 CCBDHN COC(=O)CN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169032962 836108096 /nfs/dbraw/zinc/10/80/96/836108096.db2.gz AGGFTLMYRKRZEB-RYUDHWBXSA-N 0 3 285.344 0.222 20 5 CCBDHN O=C1CC[C@@H]2CN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035242 836110894 /nfs/dbraw/zinc/11/08/94/836110894.db2.gz JPZXAXOPAWEPPK-IJLUTSLNSA-N 0 3 267.329 0.738 20 5 CCBDHN NCc1cnnn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001169309068 836208845 /nfs/dbraw/zinc/20/88/45/836208845.db2.gz YEZKFVPCYDZHQZ-UHFFFAOYSA-N 0 3 274.284 0.908 20 5 CCBDHN C/C=C(/C)C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001156336314 836324364 /nfs/dbraw/zinc/32/43/64/836324364.db2.gz IMMLXOFXFAYWHS-WMZJFQQLSA-N 0 3 295.343 0.890 20 5 CCBDHN NCc1cnnn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001158420285 838153442 /nfs/dbraw/zinc/15/34/42/838153442.db2.gz LTPCEAXNOVKGHF-UHFFFAOYSA-N 0 3 254.637 0.683 20 5 CCBDHN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC001187662568 844742690 /nfs/dbraw/zinc/74/26/90/844742690.db2.gz GWQLDGAQHZTVCV-NKWVEPMBSA-N 0 3 252.278 0.472 20 5 CCBDHN CC(COC(=O)c1ccc2c(c1)N(C)C(=O)CO2)[N+](=O)[O-] ZINC000860777761 900747846 /nfs/dbraw/zinc/74/78/46/900747846.db2.gz VNXFIAAPYXSWDT-QMMMGPOBSA-N 0 3 294.263 0.864 20 5 CCBDHN CCn1c(C[N+](=O)[O-])nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001339326550 921700662 /nfs/dbraw/zinc/70/06/62/921700662.db2.gz JTFYTGCJWUQFIO-LLVKDONJSA-N 0 3 296.375 0.851 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC(CN2CCN(C)CC2)C1 ZINC001328717629 915374916 /nfs/dbraw/zinc/37/49/16/915374916.db2.gz CCALZVOQOUZGJJ-UHFFFAOYSA-N 0 3 294.359 0.012 20 5 CCBDHN COc1ccc(CC(=O)[N-]OC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001342070020 922789301 /nfs/dbraw/zinc/78/93/01/922789301.db2.gz WVGPTCASXGUKKB-QMMMGPOBSA-N 0 3 283.284 0.541 20 5 CCBDHN C[C@@H](NC(=O)[C@@H]1CNCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC001342517717 922991254 /nfs/dbraw/zinc/99/12/54/922991254.db2.gz IULJWJXPJPTHPE-MFKMUULPSA-N 0 3 292.339 0.676 20 5 CCBDHN CC[C@H](C[N+](=O)[O-])OC(=O)C1CCCN(C2CC2)C1=O ZINC001345002906 923757367 /nfs/dbraw/zinc/75/73/67/923757367.db2.gz ZNLUJIIBNRXUHU-MNOVXSKESA-N 0 3 284.312 0.986 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CNC1 ZINC000090289259 349435065 /nfs/dbraw/zinc/43/50/65/349435065.db2.gz HIMWALZGFRVQFO-UHFFFAOYSA-N 0 3 271.298 0.153 20 5 CCBDHN COC[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551719 349438496 /nfs/dbraw/zinc/43/84/96/349438496.db2.gz BJZUOGMPEKBFDK-GFCCVEGCSA-N 0 3 281.312 0.867 20 5 CCBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cnn(C)c1 ZINC000090538161 349439069 /nfs/dbraw/zinc/43/90/69/349439069.db2.gz OPTMQHNANNKQOE-SECBINFHSA-N 0 3 264.289 0.876 20 5 CCBDHN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CCN(C)CC1 ZINC000599985631 361846300 /nfs/dbraw/zinc/84/63/00/361846300.db2.gz ICEVGAGGTZPHAH-UHFFFAOYSA-N 0 3 295.343 0.734 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2CO)c1 ZINC000101546687 349663418 /nfs/dbraw/zinc/66/34/18/349663418.db2.gz CLUBGQRKWNQTHC-CHWSQXEVSA-N 0 3 296.323 0.791 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000358146243 529809774 /nfs/dbraw/zinc/80/97/74/529809774.db2.gz WSQNGSVXUCLSBI-ZDUSSCGKSA-N 0 3 294.311 0.783 20 5 CCBDHN CN(C[C@H]1CCCN1C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000421704770 529966200 /nfs/dbraw/zinc/96/62/00/529966200.db2.gz PTQZDKUDHLYBEB-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000119869792 349959103 /nfs/dbraw/zinc/95/91/03/349959103.db2.gz LVFAVTIQAHPZQH-SSDOTTSWSA-N 0 3 253.262 0.142 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119869792 349959105 /nfs/dbraw/zinc/95/91/05/349959105.db2.gz LVFAVTIQAHPZQH-SSDOTTSWSA-N 0 3 253.262 0.142 20 5 CCBDHN Cn1cc(CN2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602716751 362767070 /nfs/dbraw/zinc/76/70/70/362767070.db2.gz CXYZEYUUUIKYAD-KOLCDFICSA-N 0 3 266.301 0.797 20 5 CCBDHN Cn1cc(CNC(C)(C)C(C)(C)O)c([N+](=O)[O-])n1 ZINC000602798458 362806320 /nfs/dbraw/zinc/80/63/20/362806320.db2.gz ODTBCGZJZHMMON-UHFFFAOYSA-N 0 3 256.306 0.967 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@]1(C)CO ZINC000602810383 362812024 /nfs/dbraw/zinc/81/20/24/362812024.db2.gz TTXKFAXUKDMONE-GFCCVEGCSA-N 0 3 268.317 0.947 20 5 CCBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)CO ZINC000602831622 362824670 /nfs/dbraw/zinc/82/46/70/362824670.db2.gz KCWHESSIAWUQSS-VIFPVBQESA-N 0 3 256.306 0.802 20 5 CCBDHN C[C@@H]1C[C@H](O)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343711227 137151589 /nfs/dbraw/zinc/15/15/89/137151589.db2.gz FJXXKCHQUVKFQM-WOPDTQHZSA-N 0 3 296.323 0.790 20 5 CCBDHN C[C@@H]1C[C@@H](CO)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000344146312 137179866 /nfs/dbraw/zinc/17/98/66/137179866.db2.gz PPJUPXMRYKEVGP-NTZNESFSSA-N 0 3 298.343 0.245 20 5 CCBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000037889116 348216179 /nfs/dbraw/zinc/21/61/79/348216179.db2.gz YGTGNWHXKFQREF-GXFFZTMASA-N 0 3 291.311 0.898 20 5 CCBDHN C[C@H](CO)N1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000345038340 137229567 /nfs/dbraw/zinc/22/95/67/137229567.db2.gz RQKQNFLZFSDZLX-LLVKDONJSA-N 0 3 280.328 0.883 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN(C)C ZINC000346163363 137270615 /nfs/dbraw/zinc/27/06/15/137270615.db2.gz OSPZJBKWZLRADK-MRVPVSSYSA-N 0 3 266.301 0.978 20 5 CCBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N(C)C ZINC000347823451 137359184 /nfs/dbraw/zinc/35/91/84/137359184.db2.gz NTZPUDRICNNAKY-QMMMGPOBSA-N 0 3 254.290 0.613 20 5 CCBDHN C[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCN1C ZINC000347885000 137362126 /nfs/dbraw/zinc/36/21/26/137362126.db2.gz YOCXIARGIGSPQN-ZJUUUORDSA-N 0 3 290.327 0.954 20 5 CCBDHN CCN(C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000054132381 348543224 /nfs/dbraw/zinc/54/32/24/348543224.db2.gz QDGUUHYCYWUHDN-UHFFFAOYSA-N 0 3 266.301 0.859 20 5 CCBDHN CNCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000054244476 348545636 /nfs/dbraw/zinc/54/56/36/348545636.db2.gz VWLAPPCOZIZMKH-UHFFFAOYSA-N 0 3 273.314 0.401 20 5 CCBDHN CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000054244604 348545675 /nfs/dbraw/zinc/54/56/75/348545675.db2.gz NOLHPPRXNYTMRH-UHFFFAOYSA-N 0 3 273.314 0.401 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]1 ZINC000053254815 348523552 /nfs/dbraw/zinc/52/35/52/348523552.db2.gz NAJISAXWJBUXCP-SNVBAGLBSA-N 0 3 299.352 0.934 20 5 CCBDHN C[C@@H]1[C@@H](CO)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000412081533 233038407 /nfs/dbraw/zinc/03/84/07/233038407.db2.gz MGXQDAWSVWJIQU-GHMZBOCLSA-N 0 3 268.317 0.884 20 5 CCBDHN C[C@H]1CNCCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054375132 348555375 /nfs/dbraw/zinc/55/53/75/348555375.db2.gz MCVGVEMHXKTRIF-QMMMGPOBSA-N 0 3 264.285 0.492 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000066143615 348734817 /nfs/dbraw/zinc/73/48/17/348734817.db2.gz WZRLFDLYKITQHA-JTQLQIEISA-N 0 3 293.327 0.937 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCN(CCO)CCO)cc1 ZINC000075714057 349047692 /nfs/dbraw/zinc/04/76/92/349047692.db2.gz XMWNEFMGYPCBBP-UHFFFAOYSA-N 0 3 270.285 0.260 20 5 CCBDHN CN1CCN(CCCn2nccc2[N+](=O)[O-])CC1 ZINC000130655784 350243865 /nfs/dbraw/zinc/24/38/65/350243865.db2.gz MNHKQMYEEWXVBR-UHFFFAOYSA-N 0 3 253.306 0.429 20 5 CCBDHN CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000132839256 350317488 /nfs/dbraw/zinc/31/74/88/350317488.db2.gz WGPMJZKBBQVJHP-GFCCVEGCSA-N 0 3 296.302 0.449 20 5 CCBDHN COCCN(C)CCNc1cccnc1[N+](=O)[O-] ZINC000134512239 350367612 /nfs/dbraw/zinc/36/76/12/350367612.db2.gz UFPOWISLPIEKLW-UHFFFAOYSA-N 0 3 254.290 0.980 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1csc([N+](=O)[O-])c1 ZINC000134256530 350358369 /nfs/dbraw/zinc/35/83/69/350358369.db2.gz SFZZUMDSURXEKM-QMMMGPOBSA-N 0 3 271.298 0.375 20 5 CCBDHN CN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000135244332 350389289 /nfs/dbraw/zinc/38/92/89/350389289.db2.gz ZCMQKLBDMCDJIN-CYBMUJFWSA-N 0 3 292.339 0.239 20 5 CCBDHN CCN1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000137946332 350439119 /nfs/dbraw/zinc/43/91/19/350439119.db2.gz IBLCWSZODAIGKI-QMMMGPOBSA-N 0 3 267.289 0.532 20 5 CCBDHN CCN1CCCC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000110992779 186339737 /nfs/dbraw/zinc/33/97/37/186339737.db2.gz AGIVOKJVAYGSRS-LLVKDONJSA-N 0 3 295.343 0.782 20 5 CCBDHN C[C@@H]1CCCN(CCNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162130097 350737755 /nfs/dbraw/zinc/73/77/55/350737755.db2.gz OEGIOGDMWLGETI-SNVBAGLBSA-N 0 3 295.343 0.790 20 5 CCBDHN NC(=O)CC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176226525 351162341 /nfs/dbraw/zinc/16/23/41/351162341.db2.gz YZLKDMWVRRVAOO-NSHDSACASA-N 0 3 295.343 0.769 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000186536675 351502471 /nfs/dbraw/zinc/50/24/71/351502471.db2.gz ATNRGWBFIDTVMF-STQMWFEESA-N 0 3 266.297 0.565 20 5 CCBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[C@H](F)CN1 ZINC000188264611 351584050 /nfs/dbraw/zinc/58/40/50/351584050.db2.gz CLNTYLLIKOYGFT-GXSJLCMTSA-N 0 3 296.302 0.823 20 5 CCBDHN CNCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193254618 351818661 /nfs/dbraw/zinc/81/86/61/351818661.db2.gz XALHZAHDRNEBAX-UHFFFAOYSA-N 0 3 287.341 0.709 20 5 CCBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000212813170 351930880 /nfs/dbraw/zinc/93/08/80/351930880.db2.gz BFNZWJLOMRLORE-UHFFFAOYSA-N 0 3 281.312 0.869 20 5 CCBDHN CC(C)(N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000236782872 352213614 /nfs/dbraw/zinc/21/36/14/352213614.db2.gz MLIHBXGROXWRON-SECBINFHSA-N 0 3 293.327 0.740 20 5 CCBDHN Cc1nc(NC[C@@H]2CSCCN2)ccc1[N+](=O)[O-] ZINC000603418228 363123193 /nfs/dbraw/zinc/12/31/93/363123193.db2.gz DTBZLAASZYHEOH-SECBINFHSA-N 0 3 268.342 0.837 20 5 CCBDHN Cc1cc(S(=O)(=O)NCCNC2CC2)ccc1[N+](=O)[O-] ZINC000237787527 352282572 /nfs/dbraw/zinc/28/25/72/352282572.db2.gz ZTRYPYUDLFVDTQ-UHFFFAOYSA-N 0 3 299.352 0.934 20 5 CCBDHN CN1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000604198330 363181174 /nfs/dbraw/zinc/18/11/74/363181174.db2.gz GQKJCTZJSRXVMA-VIFPVBQESA-N 0 3 267.289 0.002 20 5 CCBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000265552570 352645953 /nfs/dbraw/zinc/64/59/53/352645953.db2.gz TWWZLVWPMZGYAS-QMMMGPOBSA-N 0 3 281.316 0.562 20 5 CCBDHN CN(C)CCN(C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000267020066 352739064 /nfs/dbraw/zinc/73/90/64/352739064.db2.gz JRCJUTFDRXLZFH-UHFFFAOYSA-N 0 3 267.289 0.087 20 5 CCBDHN CC(=O)NCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267116475 352745366 /nfs/dbraw/zinc/74/53/66/352745366.db2.gz ZEIFXBKOJFKJLV-UHFFFAOYSA-N 0 3 295.343 0.639 20 5 CCBDHN CCc1ccc(S(=O)(=O)NCCNC)cc1[N+](=O)[O-] ZINC000573919799 334977159 /nfs/dbraw/zinc/97/71/59/334977159.db2.gz SHNKRQXCPNEZLY-UHFFFAOYSA-N 0 3 287.341 0.655 20 5 CCBDHN C[C@H]1CCCN(CCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271132663 353024761 /nfs/dbraw/zinc/02/47/61/353024761.db2.gz QOQNXIFLRAZBER-JTQLQIEISA-N 0 3 295.343 0.790 20 5 CCBDHN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC000279714218 353311162 /nfs/dbraw/zinc/31/11/62/353311162.db2.gz IGQLDGMYRUWHDT-LLVKDONJSA-N 0 3 281.312 0.459 20 5 CCBDHN CCc1n[n-]c(C(=O)NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280366094 353358146 /nfs/dbraw/zinc/35/81/46/353358146.db2.gz YMOSWCVYKPCEAO-UHFFFAOYSA-N 0 3 293.327 0.872 20 5 CCBDHN CCc1n[n-]c(C(=O)NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280366094 353358148 /nfs/dbraw/zinc/35/81/48/353358148.db2.gz YMOSWCVYKPCEAO-UHFFFAOYSA-N 0 3 293.327 0.872 20 5 CCBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1CO ZINC000305197885 354138469 /nfs/dbraw/zinc/13/84/69/354138469.db2.gz USMWJTVUQPSPTN-CMPLNLGQSA-N 0 3 268.317 0.884 20 5 CCBDHN CN1CC=C(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000271880333 191386305 /nfs/dbraw/zinc/38/63/05/191386305.db2.gz VAIHMIXDKSGCQS-UHFFFAOYSA-N 0 3 291.311 0.763 20 5 CCBDHN CCN1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000338731919 355407653 /nfs/dbraw/zinc/40/76/53/355407653.db2.gz CCXJDTWKZIFXKF-VXGBXAGGSA-N 0 3 293.327 0.684 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351814203 356007265 /nfs/dbraw/zinc/00/72/65/356007265.db2.gz JJCNVXNJPRVUKF-OSMZGAPFSA-N 0 3 296.323 0.647 20 5 CCBDHN Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])n[n-]2)[nH+]1 ZINC000353482537 356235096 /nfs/dbraw/zinc/23/50/96/356235096.db2.gz NLLSXGZBJKILOL-UHFFFAOYSA-N 0 3 290.283 0.863 20 5 CCBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000353491217 356237041 /nfs/dbraw/zinc/23/70/41/356237041.db2.gz SGTMNWAIQIICRL-HTAVTVPLSA-N 0 3 296.323 0.790 20 5 CCBDHN CN(C)CCN1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273662699 192252197 /nfs/dbraw/zinc/25/21/97/192252197.db2.gz WGFWVQVHKYSWEC-UHFFFAOYSA-N 0 3 294.359 0.823 20 5 CCBDHN CN(C)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000354595011 356448089 /nfs/dbraw/zinc/44/80/89/356448089.db2.gz FERGQXJANJBEDV-LLVKDONJSA-N 0 3 281.316 0.542 20 5 CCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(CC2CC2)C1 ZINC000609382941 363492568 /nfs/dbraw/zinc/49/25/68/363492568.db2.gz HAJZOQPTOXBZPX-NSHDSACASA-N 0 3 293.327 0.392 20 5 CCBDHN CN(CCN(C)C1CC1)c1ncc([N+](=O)[O-])cn1 ZINC000274411262 192580278 /nfs/dbraw/zinc/58/02/78/192580278.db2.gz ADZOVNMIAPZICK-UHFFFAOYSA-N 0 3 251.290 0.915 20 5 CCBDHN N[C@@H]1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569823772 358796527 /nfs/dbraw/zinc/79/65/27/358796527.db2.gz AIOAXQJDLJHVFD-CHWSQXEVSA-N 0 3 290.323 0.339 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000589101412 359359152 /nfs/dbraw/zinc/35/91/52/359359152.db2.gz CNTXPQCJBNTJLC-QMMMGPOBSA-N 0 3 274.708 0.978 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000589941633 359411892 /nfs/dbraw/zinc/41/18/92/359411892.db2.gz ZYAUVIYFRGWMGA-BXKDBHETSA-N 0 3 278.312 0.709 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000589941640 359411909 /nfs/dbraw/zinc/41/19/09/359411909.db2.gz ZYAUVIYFRGWMGA-JOYOIKCWSA-N 0 3 278.312 0.709 20 5 CCBDHN C[C@@H]1[C@H](O)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000590761992 359519283 /nfs/dbraw/zinc/51/92/83/359519283.db2.gz YUCJKMWMEAAQGM-MPKXVKKWSA-N 0 3 296.323 0.790 20 5 CCBDHN C[C@@](O)(CO)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000563139626 291198087 /nfs/dbraw/zinc/19/80/87/291198087.db2.gz AJMCCPPJRHDLJS-ZDUSSCGKSA-N 0 3 297.311 0.256 20 5 CCBDHN CC(C)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000592543455 359880622 /nfs/dbraw/zinc/88/06/22/359880622.db2.gz BFMIWWPFFLOEQK-LLVKDONJSA-N 0 3 281.316 0.248 20 5 CCBDHN N[C@@H]1C[C@@H]2CN(c3sccc3[N+](=O)[O-])CCN2C1=O ZINC000594700790 360361894 /nfs/dbraw/zinc/36/18/94/360361894.db2.gz BUSQQODEBCKULS-HTQZYQBOSA-N 0 3 282.325 0.405 20 5 CCBDHN C[C@@]12COC[C@@H]1CN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595757245 360642279 /nfs/dbraw/zinc/64/22/79/360642279.db2.gz IJNXXHSCMWVBLZ-SMDDNHRTSA-N 0 3 293.323 0.725 20 5 CCBDHN O=C1CC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@H]2N1 ZINC000595727360 360631445 /nfs/dbraw/zinc/63/14/45/360631445.db2.gz BMMPVNZMGOYXMV-CMPLNLGQSA-N 0 3 293.327 0.392 20 5 CCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@]1(C)CO ZINC000595879835 360688329 /nfs/dbraw/zinc/68/83/29/360688329.db2.gz XPWOALLIWXMXEU-JQWIXIFHSA-N 0 3 268.317 0.742 20 5 CCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCOC2(CNC2)C1 ZINC000596578444 360923504 /nfs/dbraw/zinc/92/35/04/360923504.db2.gz PFYWWJSMIQHEAK-UHFFFAOYSA-N 0 3 291.307 0.338 20 5 CCBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597856864 361269732 /nfs/dbraw/zinc/26/97/32/361269732.db2.gz BSGKBYUNXQVNDQ-QMMMGPOBSA-N 0 3 281.316 0.921 20 5 CCBDHN CCCN1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000598341406 361390819 /nfs/dbraw/zinc/39/08/19/361390819.db2.gz AXYYNGVVRGRWCM-MRVPVSSYSA-N 0 3 267.289 0.532 20 5 CCBDHN O=[N+]([O-])c1cccc(CNCCN2CC[C@@H](O)C2)c1 ZINC000599008080 361553128 /nfs/dbraw/zinc/55/31/28/361553128.db2.gz GUPKAUZDDLZFQA-CYBMUJFWSA-N 0 3 265.313 0.751 20 5 CCBDHN NC(=O)c1cc(NCCN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199675 361608842 /nfs/dbraw/zinc/60/88/42/361608842.db2.gz PMILNNBSWMPWBQ-JTQLQIEISA-N 0 3 294.311 0.172 20 5 CCBDHN C[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000599110341 361575554 /nfs/dbraw/zinc/57/55/54/361575554.db2.gz RIVPPLGLRSTFJL-OCAPTIKFSA-N 0 3 279.300 0.275 20 5 CCBDHN COC[C@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566678544 291430790 /nfs/dbraw/zinc/43/07/90/291430790.db2.gz FWZPPDVYEPOPRU-JTQLQIEISA-N 0 3 297.311 0.520 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000330905862 203374738 /nfs/dbraw/zinc/37/47/38/203374738.db2.gz MYEYCTNQPLSHPN-MNOVXSKESA-N 0 3 295.343 0.780 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000330908259 203377406 /nfs/dbraw/zinc/37/74/06/203377406.db2.gz OGYFSMJKPTXWPY-VHSXEESVSA-N 0 3 281.316 0.390 20 5 CCBDHN Cc1ccc(CNC[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000459691844 249054514 /nfs/dbraw/zinc/05/45/14/249054514.db2.gz HBEOKEQMOWGHQB-LBPRGKRZSA-N 0 3 291.311 0.645 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1(CN(C)C)CCC1 ZINC000281042051 195080366 /nfs/dbraw/zinc/08/03/66/195080366.db2.gz JBRPWMDBFKTUCG-UHFFFAOYSA-N 0 3 295.343 0.700 20 5 CCBDHN CNc1nc(C(=O)NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000454373437 533075745 /nfs/dbraw/zinc/07/57/45/533075745.db2.gz QZNWXNGNYDYOOI-UHFFFAOYSA-N 0 3 293.327 0.857 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1O ZINC000249580611 285128605 /nfs/dbraw/zinc/12/86/05/285128605.db2.gz QWZVNSIUCGSVET-CMPLNLGQSA-N 0 3 281.312 0.459 20 5 CCBDHN C[C@@]1(F)CNCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000420328657 285242616 /nfs/dbraw/zinc/24/26/16/285242616.db2.gz IHMJWDMYOFMYCK-LLVKDONJSA-N 0 3 271.296 0.425 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCNC1 ZINC000071397415 388957763 /nfs/dbraw/zinc/95/77/63/388957763.db2.gz BPHUMUONFSPLCX-JTQLQIEISA-N 0 3 299.352 0.934 20 5 CCBDHN COc1ccc(CNC(=O)C2(N)CC2)cc1[N+](=O)[O-] ZINC000083480857 389002842 /nfs/dbraw/zinc/00/28/42/389002842.db2.gz KQMIERXTYGWCOS-UHFFFAOYSA-N 0 3 265.269 0.711 20 5 CCBDHN CCc1nn(C)c(N2CCN[C@@H](C)C2)c1[N+](=O)[O-] ZINC000091561036 389024666 /nfs/dbraw/zinc/02/46/66/389024666.db2.gz YSYUTVFHRUWCPX-QMMMGPOBSA-N 0 3 253.306 0.689 20 5 CCBDHN CCN1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000193717273 389078569 /nfs/dbraw/zinc/07/85/69/389078569.db2.gz GBUCFDXAEVHBHY-SECBINFHSA-N 0 3 293.327 0.985 20 5 CCBDHN C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C ZINC000298609627 389034739 /nfs/dbraw/zinc/03/47/39/389034739.db2.gz UJHSVUPKLZUYEP-SECBINFHSA-N 0 3 294.311 0.600 20 5 CCBDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356641059 389127589 /nfs/dbraw/zinc/12/75/89/389127589.db2.gz YFHYDGXCFLHRDC-VHSXEESVSA-N 0 3 293.327 0.637 20 5 CCBDHN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CCCN1C ZINC000343603465 389268006 /nfs/dbraw/zinc/26/80/06/389268006.db2.gz MLVQJINUNQFXMQ-KCJUWKMLSA-N 0 3 293.327 0.983 20 5 CCBDHN CN1CC[C@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)[C@H]2C1 ZINC000272188362 389465522 /nfs/dbraw/zinc/46/55/22/389465522.db2.gz LRXYVNMAETXXOU-WPRPVWTQSA-N 0 3 278.316 0.497 20 5 CCBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CNCCO1 ZINC000415091878 389657495 /nfs/dbraw/zinc/65/74/95/389657495.db2.gz DGOOXDGBHBVVPL-LLVKDONJSA-N 0 3 251.286 0.673 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1C ZINC000379491798 389761842 /nfs/dbraw/zinc/76/18/42/389761842.db2.gz HXUAYQQGUSPMSC-HTQZYQBOSA-N 0 3 252.274 0.745 20 5 CCBDHN CCCCN(C)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000352383336 389801553 /nfs/dbraw/zinc/80/15/53/389801553.db2.gz XXRHMFVRUPTHQK-UHFFFAOYSA-N 0 3 283.332 0.639 20 5 CCBDHN Cc1nn(C)c(C(=O)NC[C@@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000539700569 390207663 /nfs/dbraw/zinc/20/76/63/390207663.db2.gz SYRZGUMIEXXAGM-SECBINFHSA-N 0 3 295.343 0.851 20 5 CCBDHN CC(C)NCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000580330731 390240733 /nfs/dbraw/zinc/24/07/33/390240733.db2.gz SJSQIZPCHJXPGS-UHFFFAOYSA-N 0 3 295.343 0.953 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000583944946 390327379 /nfs/dbraw/zinc/32/73/79/390327379.db2.gz BFOSXPBDFPCFRY-ZJUUUORDSA-N 0 3 291.311 0.046 20 5 CCBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000583964264 390327448 /nfs/dbraw/zinc/32/74/48/390327448.db2.gz BNQQMKMTAASROY-SECBINFHSA-N 0 3 293.327 0.644 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000566104556 390579084 /nfs/dbraw/zinc/57/90/84/390579084.db2.gz OMSJEANPKRRAHK-JTQLQIEISA-N 0 3 295.295 0.322 20 5 CCBDHN C[C@@H](O)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190896113 130159090 /nfs/dbraw/zinc/15/90/90/130159090.db2.gz ZEMOSTUEYDTRSN-WDMOLILDSA-N 0 3 298.339 0.692 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@]23CCOC3)c1 ZINC000341963260 130176763 /nfs/dbraw/zinc/17/67/63/130176763.db2.gz FLPVXSCSNSRDGA-OLZOCXBDSA-N 0 3 296.327 0.407 20 5 CCBDHN C[C@@H]1[C@H](C)N(C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000357039367 144052946 /nfs/dbraw/zinc/05/29/46/144052946.db2.gz OCUKLMROFMSNPU-NWDGAFQWSA-N 0 3 294.355 0.781 20 5 CCBDHN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1 ZINC000357342633 144083180 /nfs/dbraw/zinc/08/31/80/144083180.db2.gz JSCHFSSMAQOMHD-UHFFFAOYSA-N 0 3 252.274 0.747 20 5 CCBDHN CN1CC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548386126 286031794 /nfs/dbraw/zinc/03/17/94/286031794.db2.gz DQOZYGXSVCULAZ-QMMMGPOBSA-N 0 3 279.300 0.084 20 5 CCBDHN CC(=O)NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000549698821 286096249 /nfs/dbraw/zinc/09/62/49/286096249.db2.gz IHSNCWLRQYYCEP-GFCCVEGCSA-N 0 3 297.311 0.060 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000086471442 297114619 /nfs/dbraw/zinc/11/46/19/297114619.db2.gz MQZCEDHWXIXNES-DTWKUNHWSA-N 0 3 278.312 0.880 20 5 CCBDHN COC[C@H](CO)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285120637 196201639 /nfs/dbraw/zinc/20/16/39/196201639.db2.gz LAMYVYVQXSVDLO-SCZZXKLOSA-N 0 3 269.301 0.835 20 5 CCBDHN CN1C[C@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000357685517 277206528 /nfs/dbraw/zinc/20/65/28/277206528.db2.gz BLEKFMDRRJFKIS-IUCAKERBSA-N 0 3 291.311 0.087 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C[NH3+])C1CC1 ZINC000087384006 302049451 /nfs/dbraw/zinc/04/94/51/302049451.db2.gz GTCYRHZWFAQRNJ-SNVBAGLBSA-N 0 3 299.352 0.919 20 5 CCBDHN Cc1c(CNC(=O)COC2CNC2)cccc1[N+](=O)[O-] ZINC000423815258 533849097 /nfs/dbraw/zinc/84/90/97/533849097.db2.gz VYVALVCKLRPJBK-UHFFFAOYSA-N 0 3 279.296 0.508 20 5 CCBDHN Cc1c(CNC(=O)CCOC2CNC2)cccc1[N+](=O)[O-] ZINC000423794417 533849161 /nfs/dbraw/zinc/84/91/61/533849161.db2.gz DOSROJTXQJDZKK-UHFFFAOYSA-N 0 3 293.323 0.898 20 5 CCBDHN CCCN1CCC[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343609451 534912097 /nfs/dbraw/zinc/91/20/97/534912097.db2.gz NNGGATZVJLSYBO-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCO[C@@H]1C1CC1 ZINC000364781149 527486639 /nfs/dbraw/zinc/48/66/39/527486639.db2.gz GIWDWDNCNAFAHG-GXTWGEPZSA-N 0 3 293.323 0.914 20 5 CCBDHN CN(C)C[C@H](O)CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000754008958 581570536 /nfs/dbraw/zinc/57/05/36/581570536.db2.gz XKXXBJBUPMEVRE-SECBINFHSA-N 0 3 291.311 0.872 20 5 CCBDHN CC(=O)N1CC[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813111600 613513328 /nfs/dbraw/zinc/51/33/28/613513328.db2.gz VMVHHMWTPTVXNN-GZMMTYOYSA-N 0 3 258.274 0.453 20 5 CCBDHN CC(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000846952549 613666795 /nfs/dbraw/zinc/66/67/95/613666795.db2.gz ZZVFOMSAOWKWSN-CYBMUJFWSA-N 0 3 296.327 0.453 20 5 CCBDHN CC(C)(CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000916572358 614122113 /nfs/dbraw/zinc/12/21/13/614122113.db2.gz CQBDWDVNDRTJES-UHFFFAOYSA-N 0 3 267.285 0.894 20 5 CCBDHN CCCN1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000842363347 614775449 /nfs/dbraw/zinc/77/54/49/614775449.db2.gz GNECEUFKPFAVMU-BDAKNGLRSA-N 0 3 258.274 0.453 20 5 CCBDHN CCC(=O)N[C@@H](CCSC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103147 614859001 /nfs/dbraw/zinc/85/90/01/614859001.db2.gz AISRPTHAPVWXSX-BDAKNGLRSA-N 0 3 292.357 0.843 20 5 CCBDHN COC[C@@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843080055 616867451 /nfs/dbraw/zinc/86/74/51/616867451.db2.gz DYXPHPCIYYQRLA-ZYHUDNBSSA-N 0 3 270.285 0.225 20 5 CCBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC1CN(C)C1 ZINC000853825311 616902636 /nfs/dbraw/zinc/90/26/36/616902636.db2.gz JARNXJANERQGQF-UHFFFAOYSA-N 0 3 292.339 0.952 20 5 CCBDHN CC(COC(=O)c1cnc2n1CCOC2)[N+](=O)[O-] ZINC000851035994 623631652 /nfs/dbraw/zinc/63/16/52/623631652.db2.gz DEFUIAHFVHXJLR-SSDOTTSWSA-N 0 3 255.230 0.235 20 5 CCBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1ccc(F)cc1 ZINC000905341455 634850095 /nfs/dbraw/zinc/85/00/95/634850095.db2.gz ODOHLJFKZVCRAX-LLVKDONJSA-N 0 3 256.277 0.843 20 5 CCBDHN C[C@H]1[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000928458069 631871696 /nfs/dbraw/zinc/87/16/96/631871696.db2.gz RFCVPYFVIURSPU-DTWKUNHWSA-N 0 3 267.289 0.000 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920101 636703449 /nfs/dbraw/zinc/70/34/49/636703449.db2.gz RISVPXMTUPLOOW-SECBINFHSA-N 0 3 264.285 0.843 20 5 CCBDHN O=C(NCC1=CCN(CCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674284 639154901 /nfs/dbraw/zinc/15/49/01/639154901.db2.gz NIPOFEQRMMZBBV-GHMZBOCLSA-N 0 3 271.292 0.369 20 5 CCBDHN CC(COC(=O)[C@H]1CCc2cnn(C)c2C1)[N+](=O)[O-] ZINC000813105266 641022429 /nfs/dbraw/zinc/02/24/29/641022429.db2.gz LHIRWKJKAKSUMG-BDAKNGLRSA-N 0 3 267.285 0.733 20 5 CCBDHN CC(COC(=O)c1ccc(S(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813104008 641022683 /nfs/dbraw/zinc/02/26/83/641022683.db2.gz VZIOBMYKHHXSRB-MRVPVSSYSA-N 0 3 287.293 0.912 20 5 CCBDHN CC(COC(=O)c1sccc1-n1cnnn1)[N+](=O)[O-] ZINC000813106722 641023197 /nfs/dbraw/zinc/02/31/97/641023197.db2.gz GEINXYBSLABIRI-ZCFIWIBFSA-N 0 3 283.269 0.546 20 5 CCBDHN CC(COC(=O)[C@@H]1CCc2nnn(C)c2C1)[N+](=O)[O-] ZINC000813114901 641024199 /nfs/dbraw/zinc/02/41/99/641024199.db2.gz XKHCNMYYIOHRJI-HTQZYQBOSA-N 0 3 268.273 0.128 20 5 CCBDHN CC(COC(=O)c1ccc(C(N)=O)cc1)[N+](=O)[O-] ZINC000813111013 641024626 /nfs/dbraw/zinc/02/46/26/641024626.db2.gz AGPUISRDGUJHFJ-ZETCQYMHSA-N 0 3 252.226 0.608 20 5 CCBDHN CC(COC(=O)[C@@H](C)NC(=O)c1ccoc1)[N+](=O)[O-] ZINC000813113970 641024864 /nfs/dbraw/zinc/02/48/64/641024864.db2.gz XHNLLMVYNDAIQY-HTQZYQBOSA-N 0 3 270.241 0.606 20 5 CCBDHN Cc1nc2ccnn2cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000835456172 642662735 /nfs/dbraw/zinc/66/27/35/642662735.db2.gz SICITNWAYCMQPW-ZETCQYMHSA-N 0 3 264.241 0.860 20 5 CCBDHN CC(COC(=O)CCc1ccc(C(N)=O)cc1)[N+](=O)[O-] ZINC000835453686 642663453 /nfs/dbraw/zinc/66/34/53/642663453.db2.gz GBVPYXRCGVFOKT-SECBINFHSA-N 0 3 280.280 0.927 20 5 CCBDHN CC(COC(=O)c1noc2c1COCC2)[N+](=O)[O-] ZINC000857853174 644566831 /nfs/dbraw/zinc/56/68/31/644566831.db2.gz MZKWXVQDHHIFQS-ZCFIWIBFSA-N 0 3 256.214 0.569 20 5 CCBDHN C[C@H](NC[C@@H]1COCCN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000863545046 645105170 /nfs/dbraw/zinc/10/51/70/645105170.db2.gz GZUOTMBIZHZBTQ-GXSJLCMTSA-N 0 3 280.328 0.816 20 5 CCBDHN CC(COC(=O)c1cnc2nccn2c1)[N+](=O)[O-] ZINC000870378294 645987387 /nfs/dbraw/zinc/98/73/87/645987387.db2.gz VEUJNNXWWMZUGS-ZETCQYMHSA-N 0 3 250.214 0.551 20 5 CCBDHN COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1CCN(C)C1 ZINC001167281401 790786121 /nfs/dbraw/zinc/78/61/21/790786121.db2.gz ZEHLZBMLHGSUSS-QMMMGPOBSA-N 0 3 280.284 0.892 20 5 CCBDHN CC1(C)C[C@H](NCC[N+](=O)[O-])CCS1(=O)=O ZINC001120523339 798845986 /nfs/dbraw/zinc/84/59/86/798845986.db2.gz FKCQSWVIKPIZNR-MRVPVSSYSA-N 0 3 250.320 0.209 20 5 CCBDHN Cc1ccc(CNC(=O)[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC001122194721 799166833 /nfs/dbraw/zinc/16/68/33/799166833.db2.gz VSMNVVKBDHTMBK-CYBMUJFWSA-N 0 3 292.339 0.423 20 5 CCBDHN NCc1cnnn1-c1ncc([N+](=O)[O-])cc1Cl ZINC001158420170 801637186 /nfs/dbraw/zinc/63/71/86/801637186.db2.gz GAXBECSIJOCJJO-UHFFFAOYSA-N 0 3 254.637 0.683 20 5 CCBDHN NCc1cnnn1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001158420703 801640173 /nfs/dbraw/zinc/64/01/73/801640173.db2.gz WWPMECKXPUVPRI-UHFFFAOYSA-N 0 3 271.240 0.577 20 5 CCBDHN O=[N+]([O-])c1nccnc1NCc1nnn2c1CNCCC2 ZINC001162973387 802447296 /nfs/dbraw/zinc/44/72/96/802447296.db2.gz RPHSHKWRMLTGIV-UHFFFAOYSA-N 0 3 290.287 0.082 20 5 CCBDHN CN(c1ccc2c(n1)[nH]cc2[N+](=O)[O-])S(=O)(=O)CCN ZINC001164287450 802706925 /nfs/dbraw/zinc/70/69/25/802706925.db2.gz RCSIWTBPUYYCRY-UHFFFAOYSA-N 0 3 299.312 0.196 20 5 CCBDHN Nc1cc(N2CC[C@@H]3NCCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165270369 802809555 /nfs/dbraw/zinc/80/95/55/802809555.db2.gz CWHQEUKPTYGQCZ-ONGXEEELSA-N 0 3 279.300 0.139 20 5 CCBDHN CN1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1=O ZINC001166685535 802937603 /nfs/dbraw/zinc/93/76/03/802937603.db2.gz GCIZSNZWCBXGQA-JTQLQIEISA-N 0 3 276.296 0.841 20 5 CCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1COC2(CNC2)C1 ZINC001263156137 809463047 /nfs/dbraw/zinc/46/30/47/809463047.db2.gz NPNMEMAGNBUZBV-NSHDSACASA-N 0 3 291.307 0.384 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN2C)n1 ZINC001129905537 837580063 /nfs/dbraw/zinc/58/00/63/837580063.db2.gz MFLPIFTWCYYIIQ-SNVBAGLBSA-N 0 3 295.343 0.977 20 5 CCBDHN CN1CC(CNc2cc([N+](=O)[O-])c(=O)n(C)c2)C1 ZINC001170254527 837286372 /nfs/dbraw/zinc/28/63/72/837286372.db2.gz PDOABUCLHSDKAX-UHFFFAOYSA-N 0 3 252.274 0.267 20 5 CCBDHN Cc1c[n+]([O-])c(N[C@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170561644 838103970 /nfs/dbraw/zinc/10/39/70/838103970.db2.gz GCTWUGGJOYIAMY-KOLCDFICSA-N 0 3 282.300 0.325 20 5 CCBDHN CNc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1CNCCO1 ZINC001170566726 838128380 /nfs/dbraw/zinc/12/83/80/838128380.db2.gz AZEUONPWJNFYRR-GZMMTYOYSA-N 0 3 281.316 0.820 20 5 CCBDHN C[C@H](Nc1c[n+]([O-])ccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170568013 838138080 /nfs/dbraw/zinc/13/80/80/838138080.db2.gz MJJSYBXXSFFDMK-KWQFWETISA-N 0 3 268.273 0.017 20 5 CCBDHN COc1cc(N[C@H](C)[C@@H]2CNCCO2)cnc1[N+](=O)[O-] ZINC001170570238 838141361 /nfs/dbraw/zinc/14/13/61/838141361.db2.gz KYQLZRUVQIMOTA-KCJUWKMLSA-N 0 3 282.300 0.787 20 5 CCBDHN C[C@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170575951 838165611 /nfs/dbraw/zinc/16/56/11/838165611.db2.gz YISOXJJQVOZNCK-XVKPBYJWSA-N 0 3 286.719 0.854 20 5 CCBDHN CC(COC(=O)CCC(=O)c1cnn(C)c1)[N+](=O)[O-] ZINC000813102829 838677182 /nfs/dbraw/zinc/67/71/82/838677182.db2.gz WHQFOLZYFIHEKY-MRVPVSSYSA-N 0 3 269.257 0.591 20 5 CCBDHN CC(C)N(C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116345539 855750052 /nfs/dbraw/zinc/75/00/52/855750052.db2.gz ZYMZUYZWRXHXTQ-UHFFFAOYSA-N 0 3 296.327 0.213 20 5 CCBDHN Cc1nc(N[C@H](CO)CN(C)C)ncc1[N+](=O)[O-] ZINC001327704290 914717160 /nfs/dbraw/zinc/71/71/60/914717160.db2.gz XJJBYRWZVHCFRS-QMMMGPOBSA-N 0 3 255.278 0.028 20 5 CCBDHN N[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001328525459 915252861 /nfs/dbraw/zinc/25/28/61/915252861.db2.gz RSVDULALDTZATQ-LBPRGKRZSA-N 0 3 295.343 0.815 20 5 CCBDHN COc1cccc(C(=O)NOCCN(C)C)c1[N+](=O)[O-] ZINC001334408589 919560595 /nfs/dbraw/zinc/56/05/95/919560595.db2.gz MNPPPRRAGONTSB-UHFFFAOYSA-N 0 3 283.284 0.826 20 5 CCBDHN Cc1cc(C(=O)N[C@H]2COC3(CNC3)C2)ccc1[N+](=O)[O-] ZINC001340732686 922186911 /nfs/dbraw/zinc/18/69/11/922186911.db2.gz BIZAGXAQQQUPDV-LLVKDONJSA-N 0 3 291.307 0.764 20 5 CCBDHN CN(C)CCONC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001351001736 925334568 /nfs/dbraw/zinc/33/45/68/925334568.db2.gz WDIJDLIEKFMHRS-UHFFFAOYSA-N 0 3 293.283 0.694 20 5 CCBDHN Cc1ccc(CNC[C@](C)(O)CO)cc1[N+](=O)[O-] ZINC000090285689 349433573 /nfs/dbraw/zinc/43/35/73/349433573.db2.gz MHZYKKRHMUNGIL-LBPRGKRZSA-N 0 3 254.286 0.736 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000090551431 349438413 /nfs/dbraw/zinc/43/84/13/349438413.db2.gz NASJPMFIOORWPL-UHFFFAOYSA-N 0 3 281.312 0.867 20 5 CCBDHN COCCNCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000092509937 349498202 /nfs/dbraw/zinc/49/82/02/349498202.db2.gz YMCLPBYLAXUPBS-UHFFFAOYSA-N 0 3 267.285 0.447 20 5 CCBDHN CO[C@H]1COC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000290104503 197596880 /nfs/dbraw/zinc/59/68/80/197596880.db2.gz JAJLRWXZMRVXBE-GWCFXTLKSA-N 0 3 282.296 0.977 20 5 CCBDHN CN(C)[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000601166562 362164672 /nfs/dbraw/zinc/16/46/72/362164672.db2.gz NFTSYMCXIWZYQC-UWVGGRQHSA-N 0 3 270.264 0.240 20 5 CCBDHN CN(C)CCN(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290746840 197805079 /nfs/dbraw/zinc/80/50/79/197805079.db2.gz IBJIWXRKJDCGBX-UHFFFAOYSA-N 0 3 267.289 0.087 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@]1(CO)CCOC1 ZINC000602804844 362809577 /nfs/dbraw/zinc/80/95/77/362809577.db2.gz HEHFIUHEQUAAEI-GFCCVEGCSA-N 0 3 284.316 0.183 20 5 CCBDHN Cn1cc(CN2CC[C@@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000602840500 362829169 /nfs/dbraw/zinc/82/91/69/362829169.db2.gz NNQRTLQXUQYOOH-KOLCDFICSA-N 0 3 265.317 0.464 20 5 CCBDHN CCCN(CCN(C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000343063203 137112895 /nfs/dbraw/zinc/11/28/95/137112895.db2.gz RMMOHNUFQNSAKL-UHFFFAOYSA-N 0 3 297.359 0.982 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344026256 137173407 /nfs/dbraw/zinc/17/34/07/137173407.db2.gz BRTSDTCKVPUWPR-UHTWSYAYSA-N 0 3 293.323 0.459 20 5 CCBDHN CN1CC=C(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000343289501 137124793 /nfs/dbraw/zinc/12/47/93/137124793.db2.gz LOSYIPBIYPKKPI-UHFFFAOYSA-N 0 3 265.273 0.310 20 5 CCBDHN CC[C@]1(O)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000602983705 362921707 /nfs/dbraw/zinc/92/17/07/362921707.db2.gz QWLVIDVJNZWGPG-AWEZNQCLSA-N 0 3 295.339 0.993 20 5 CCBDHN C[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054244482 348545514 /nfs/dbraw/zinc/54/55/14/348545514.db2.gz JEAXLNLAQQKFNG-UHFFFAOYSA-N 0 3 293.732 0.746 20 5 CCBDHN CCN(CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351329 348667590 /nfs/dbraw/zinc/66/75/90/348667590.db2.gz SHCXSJKIXSTOAY-GFCCVEGCSA-N 0 3 254.286 0.942 20 5 CCBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCO)C2)nc1 ZINC000072664929 348926945 /nfs/dbraw/zinc/92/69/45/348926945.db2.gz CLWLHVHCUBNRDG-JTQLQIEISA-N 0 3 266.301 0.858 20 5 CCBDHN CCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076430999 349084129 /nfs/dbraw/zinc/08/41/29/349084129.db2.gz ZZEXHLBSIUELHT-QMMMGPOBSA-N 0 3 266.305 0.863 20 5 CCBDHN CN1CCC(O)(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000080882302 349232215 /nfs/dbraw/zinc/23/22/15/349232215.db2.gz OWQMIPFOXPBVMI-UHFFFAOYSA-N 0 3 293.323 0.781 20 5 CCBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@]1(F)CCNC1 ZINC000152758095 350540418 /nfs/dbraw/zinc/54/04/18/350540418.db2.gz CXVJXSUOLSRKFM-ZDUSSCGKSA-N 0 3 281.287 0.955 20 5 CCBDHN C[C@@H](CO)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182247417 351353866 /nfs/dbraw/zinc/35/38/66/351353866.db2.gz RIBTXAXMWJHLNY-QWRGUYRKSA-N 0 3 284.312 0.647 20 5 CCBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230699084 352117755 /nfs/dbraw/zinc/11/77/55/352117755.db2.gz KHSNGDWXNDOWAG-UHFFFAOYSA-N 0 3 267.289 0.206 20 5 CCBDHN CN(C)CCOCCNc1ccncc1[N+](=O)[O-] ZINC000234273726 352156138 /nfs/dbraw/zinc/15/61/38/352156138.db2.gz VHOSUDGHLDRVIF-UHFFFAOYSA-N 0 3 254.290 0.980 20 5 CCBDHN Cn1cc(CN2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])n1 ZINC000603429651 363128383 /nfs/dbraw/zinc/12/83/83/363128383.db2.gz NZONVPZEWNYGBA-RKDXNWHRSA-N 0 3 257.269 0.199 20 5 CCBDHN NC1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000237904827 352288552 /nfs/dbraw/zinc/28/85/52/352288552.db2.gz LQSAEEZXRPPRKR-VIFPVBQESA-N 0 3 291.311 0.494 20 5 CCBDHN CO[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247709330 352424574 /nfs/dbraw/zinc/42/45/74/352424574.db2.gz ZSTSZTWPNQAKSC-NEPJUHHUSA-N 0 3 284.316 0.263 20 5 CCBDHN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000266001898 352676531 /nfs/dbraw/zinc/67/65/31/352676531.db2.gz SLLZVFQIOXXURM-SECBINFHSA-N 0 3 281.316 0.793 20 5 CCBDHN CC(=O)NCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266945206 352734488 /nfs/dbraw/zinc/73/44/88/352734488.db2.gz XWEWHVQKNBBFEO-UHFFFAOYSA-N 0 3 295.343 0.639 20 5 CCBDHN CCN(CCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270567691 352949302 /nfs/dbraw/zinc/94/93/02/352949302.db2.gz MOSWENGWWSXHAJ-UHFFFAOYSA-N 0 3 269.301 0.461 20 5 CCBDHN C[C@H](O)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272591222 353077399 /nfs/dbraw/zinc/07/73/99/353077399.db2.gz PMNCRLNVTGLXLS-UWVGGRQHSA-N 0 3 254.290 0.494 20 5 CCBDHN COc1ccc(NC(=O)CCN(C)CCO)c([N+](=O)[O-])c1 ZINC000153127345 188066008 /nfs/dbraw/zinc/06/60/08/188066008.db2.gz SYAFFFNSIORQDF-UHFFFAOYSA-N 0 3 297.311 0.856 20 5 CCBDHN CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000279988355 353330033 /nfs/dbraw/zinc/33/00/33/353330033.db2.gz ZZXYDASOLRZECX-JTQLQIEISA-N 0 3 254.290 0.494 20 5 CCBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286332876 353578321 /nfs/dbraw/zinc/57/83/21/353578321.db2.gz YMVGUZWDHRFMHK-SECBINFHSA-N 0 3 281.316 0.874 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CN1C1CC1 ZINC000286367379 353581478 /nfs/dbraw/zinc/58/14/78/353581478.db2.gz ACNQXYNKRJEMCJ-HTQZYQBOSA-N 0 3 279.300 0.673 20 5 CCBDHN CN(CCNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CC1 ZINC000299188829 353997676 /nfs/dbraw/zinc/99/76/76/353997676.db2.gz DSQUHXIHZOTCLO-UHFFFAOYSA-N 0 3 279.300 0.595 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299287770 354006156 /nfs/dbraw/zinc/00/61/56/354006156.db2.gz OOMKPOOGGCWSRN-VIFPVBQESA-N 0 3 267.289 0.002 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299311459 354007759 /nfs/dbraw/zinc/00/77/59/354007759.db2.gz VTXFHYHCHKGDJE-QMMMGPOBSA-N 0 3 252.274 0.747 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000299550987 354026774 /nfs/dbraw/zinc/02/67/74/354026774.db2.gz QYJXXCCBPMZSMP-SECBINFHSA-N 0 3 281.316 0.840 20 5 CCBDHN COCCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000301146830 354070468 /nfs/dbraw/zinc/07/04/68/354070468.db2.gz HDMHRGNDNLPLST-VIFPVBQESA-N 0 3 296.331 0.490 20 5 CCBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000305765501 354160833 /nfs/dbraw/zinc/16/08/33/354160833.db2.gz QXOMUZBGNLXZDL-GXSJLCMTSA-N 0 3 254.290 0.494 20 5 CCBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CCN(C)CC1 ZINC000330492527 354379064 /nfs/dbraw/zinc/37/90/64/354379064.db2.gz KLQGBKUWUBWHRU-UHFFFAOYSA-N 0 3 281.316 0.344 20 5 CCBDHN CN(CCN1CCCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000330549177 354406063 /nfs/dbraw/zinc/40/60/63/354406063.db2.gz MATBVXYRRQDJPY-UHFFFAOYSA-N 0 3 281.316 0.496 20 5 CCBDHN CN(CC1CCN(C)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000330563473 354414255 /nfs/dbraw/zinc/41/42/55/354414255.db2.gz JSRIUYCVEQYBFJ-UHFFFAOYSA-N 0 3 295.343 0.742 20 5 CCBDHN CN(C)CCN1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000340153683 355512831 /nfs/dbraw/zinc/51/28/31/355512831.db2.gz AXHBTZCFGXMDBN-UHFFFAOYSA-N 0 3 293.371 0.850 20 5 CCBDHN C[C@@H]1C[C@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1C ZINC000559367644 291082932 /nfs/dbraw/zinc/08/29/32/291082932.db2.gz TZBQFGGGDWYPFH-RKDXNWHRSA-N 0 3 281.316 0.873 20 5 CCBDHN CN(CCC(N)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000353199613 356176816 /nfs/dbraw/zinc/17/68/16/356176816.db2.gz GUUNDASLXDTALO-JTQLQIEISA-N 0 3 297.311 0.142 20 5 CCBDHN COC(=O)COc1ccc(CN[C@H](C)CO)cc1[N+](=O)[O-] ZINC000353758536 356288254 /nfs/dbraw/zinc/28/82/54/356288254.db2.gz LYPPXNTWDDTPBC-SECBINFHSA-N 0 3 298.295 0.617 20 5 CCBDHN CN1CCC(CCO)(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000354150897 356355017 /nfs/dbraw/zinc/35/50/17/356355017.db2.gz VSMVXOUOKRCFRX-UHFFFAOYSA-N 0 3 297.311 0.764 20 5 CCBDHN CCN1CCC(N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356147488 356711644 /nfs/dbraw/zinc/71/16/44/356711644.db2.gz CZOGTVDDJYKIJN-UHFFFAOYSA-N 0 3 295.343 0.885 20 5 CCBDHN C[C@H]1C[C@@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1C ZINC000356347272 356749702 /nfs/dbraw/zinc/74/97/02/356749702.db2.gz TTZZTIFFHYAGJM-UWVGGRQHSA-N 0 3 296.331 0.127 20 5 CCBDHN NC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(F)(F)F ZINC000401778252 357805940 /nfs/dbraw/zinc/80/59/40/357805940.db2.gz OPPKMULHCJGODA-YFKPBYRVSA-N 0 3 267.163 0.807 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCCN2CCCO)nc1 ZINC000450599214 236099090 /nfs/dbraw/zinc/09/90/90/236099090.db2.gz SCZSDDJOEHLXFX-SNVBAGLBSA-N 0 3 281.316 0.065 20 5 CCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000408039093 357880840 /nfs/dbraw/zinc/88/08/40/357880840.db2.gz SZOPKXNIWMGSGN-NXEZZACHSA-N 0 3 295.343 0.741 20 5 CCBDHN N[C@H]1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569823774 358796684 /nfs/dbraw/zinc/79/66/84/358796684.db2.gz AIOAXQJDLJHVFD-OLZOCXBDSA-N 0 3 290.323 0.339 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000588864713 359344787 /nfs/dbraw/zinc/34/47/87/359344787.db2.gz PLHKEVACTFGWHW-ZETCQYMHSA-N 0 3 273.314 0.309 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590447289 359469260 /nfs/dbraw/zinc/46/92/60/359469260.db2.gz XEXLQEFLXZYIGD-ZYHUDNBSSA-N 0 3 293.327 0.344 20 5 CCBDHN Cn1nnnc1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000611314606 363707322 /nfs/dbraw/zinc/70/73/22/363707322.db2.gz RFINQFWKQLCPEE-UHFFFAOYSA-N 0 3 262.273 0.451 20 5 CCBDHN C[C@H](O)CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000594065811 360245134 /nfs/dbraw/zinc/24/51/34/360245134.db2.gz VBJPKTXAROLNDK-JTQLQIEISA-N 0 3 281.312 0.602 20 5 CCBDHN COCCC1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000594719048 360367245 /nfs/dbraw/zinc/36/72/45/360367245.db2.gz YUTNGDAIIUDGSZ-GFCCVEGCSA-N 0 3 284.316 0.121 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1COCCO1 ZINC000595744307 360635333 /nfs/dbraw/zinc/63/53/33/360635333.db2.gz VRFGSQUVGFWEBZ-JTQLQIEISA-N 0 3 270.289 0.139 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)C1O ZINC000595743547 360635728 /nfs/dbraw/zinc/63/57/28/360635728.db2.gz NXDHBPZGGMYEHX-QWRGUYRKSA-N 0 3 295.339 0.705 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@]1(C)CO ZINC000595875141 360687210 /nfs/dbraw/zinc/68/72/10/360687210.db2.gz PTBDPIXHWRDRRD-BXUZGUMPSA-N 0 3 295.339 0.707 20 5 CCBDHN CN(CC1=CCSC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595887586 360691455 /nfs/dbraw/zinc/69/14/55/360691455.db2.gz GUSAPQOBYZTJFM-GFCCVEGCSA-N 0 3 298.368 0.757 20 5 CCBDHN CCN(C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180777876 189274645 /nfs/dbraw/zinc/27/46/45/189274645.db2.gz BNKGNKHIVOJOCI-UHFFFAOYSA-N 0 3 266.301 0.859 20 5 CCBDHN CCCN1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000598341870 361392142 /nfs/dbraw/zinc/39/21/42/361392142.db2.gz HKNOQRVCQKAHHM-QMMMGPOBSA-N 0 3 267.289 0.532 20 5 CCBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1CO ZINC000598648540 361472978 /nfs/dbraw/zinc/47/29/78/361472978.db2.gz UMWKVUKEQBAVBP-RYUDHWBXSA-N 0 3 295.339 0.707 20 5 CCBDHN COc1ccc(CNCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599018882 361556839 /nfs/dbraw/zinc/55/68/39/361556839.db2.gz OOEHUBBFPVKOSM-LBPRGKRZSA-N 0 3 295.339 0.760 20 5 CCBDHN CC[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000599178916 361601331 /nfs/dbraw/zinc/60/13/31/361601331.db2.gz NIWBCPJNFIOWGQ-DTWKUNHWSA-N 0 3 293.327 0.665 20 5 CCBDHN CN(C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCO1 ZINC000330790813 203239377 /nfs/dbraw/zinc/23/93/77/203239377.db2.gz CGKLOVJWSLRLIX-JTQLQIEISA-N 0 3 296.327 0.336 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330888995 203356575 /nfs/dbraw/zinc/35/65/75/203356575.db2.gz AXQRPTRPMREKLS-GXSJLCMTSA-N 0 3 295.343 0.699 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000330905861 203375175 /nfs/dbraw/zinc/37/51/75/203375175.db2.gz MYEYCTNQPLSHPN-GHMZBOCLSA-N 0 3 295.343 0.780 20 5 CCBDHN CCOCCOCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000276244981 193254763 /nfs/dbraw/zinc/25/47/63/193254763.db2.gz MMOKWPOMUMJJCV-UHFFFAOYSA-N 0 3 286.332 0.776 20 5 CCBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCNC1 ZINC000071397232 291601547 /nfs/dbraw/zinc/60/15/47/291601547.db2.gz YYNJGXJDGVKVJQ-SNVBAGLBSA-N 0 3 299.352 0.934 20 5 CCBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCNCC1 ZINC000048727960 388901058 /nfs/dbraw/zinc/90/10/58/388901058.db2.gz QAVBDAULXDKQQR-UHFFFAOYSA-N 0 3 279.296 0.796 20 5 CCBDHN CC(C)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000299284272 389040914 /nfs/dbraw/zinc/04/09/14/389040914.db2.gz PWMLUHRZVDQLJG-VIFPVBQESA-N 0 3 293.327 0.983 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCCN1C ZINC000195449128 389126576 /nfs/dbraw/zinc/12/65/76/389126576.db2.gz MLHUGOVGXHBGOF-LLVKDONJSA-N 0 3 295.343 0.700 20 5 CCBDHN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CCCN1C ZINC000343603464 389268073 /nfs/dbraw/zinc/26/80/73/389268073.db2.gz MLVQJINUNQFXMQ-GZMMTYOYSA-N 0 3 293.327 0.983 20 5 CCBDHN CN(CCOCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000281916640 389634777 /nfs/dbraw/zinc/63/47/77/389634777.db2.gz BGHLHZWIDAZFCU-UHFFFAOYSA-N 0 3 284.312 0.914 20 5 CCBDHN COCCNCCNCc1csc([N+](=O)[O-])c1 ZINC000414868334 389641722 /nfs/dbraw/zinc/64/17/22/389641722.db2.gz DTHYQTRXZDLHNZ-UHFFFAOYSA-N 0 3 259.331 0.982 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415634525 389696169 /nfs/dbraw/zinc/69/61/69/389696169.db2.gz SPIKVDOPCDNXRR-LLVKDONJSA-N 0 3 298.274 0.844 20 5 CCBDHN Cc1c(NC(=O)C(=O)N(C)C2CNC2)cccc1[N+](=O)[O-] ZINC000415729334 389699402 /nfs/dbraw/zinc/69/94/02/389699402.db2.gz CDFLJVDZBSIVNO-UHFFFAOYSA-N 0 3 292.295 0.272 20 5 CCBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCOC1 ZINC000352194900 389768874 /nfs/dbraw/zinc/76/88/74/389768874.db2.gz MLLYMOYTRPXNNT-ZYHUDNBSSA-N 0 3 284.316 0.263 20 5 CCBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCCO1 ZINC000441233484 389828145 /nfs/dbraw/zinc/82/81/45/389828145.db2.gz UJLUNZPBQVEDEW-OLZOCXBDSA-N 0 3 298.343 0.653 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000440356675 390036117 /nfs/dbraw/zinc/03/61/17/390036117.db2.gz JRMHDFUNGGYEIK-JTQLQIEISA-N 0 3 299.352 0.934 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)nc1 ZINC000095091937 184940799 /nfs/dbraw/zinc/94/07/99/184940799.db2.gz WYZYRGPZFXFJIF-MRVPVSSYSA-N 0 3 286.313 0.020 20 5 CCBDHN CC[C@H](C)[C@H](NC(=O)OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000496802577 390366017 /nfs/dbraw/zinc/36/60/17/390366017.db2.gz JOWCUMBLCUZKIY-CIUDSAMLSA-N 0 3 276.289 0.966 20 5 CCBDHN Cc1cnc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000566985215 390664269 /nfs/dbraw/zinc/66/42/69/390664269.db2.gz AJQQDCZADKUJHT-VHSXEESVSA-N 0 3 291.311 0.046 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1CO ZINC000190907055 130161682 /nfs/dbraw/zinc/16/16/82/130161682.db2.gz OOOIKQNTEPPXBW-ZJUUUORDSA-N 0 3 254.290 0.352 20 5 CCBDHN N[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000261899164 131176440 /nfs/dbraw/zinc/17/64/40/131176440.db2.gz WGDOQJOIMBBPFL-ZDUSSCGKSA-N 0 3 293.323 0.965 20 5 CCBDHN C[C@H]1NCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000262727373 131256317 /nfs/dbraw/zinc/25/63/17/131256317.db2.gz AQLBTNWASHRJHM-RKDXNWHRSA-N 0 3 267.289 0.000 20 5 CCBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000263697641 131310909 /nfs/dbraw/zinc/31/09/09/131310909.db2.gz APSMVEPFUDZATN-UHFFFAOYSA-N 0 3 287.341 0.964 20 5 CCBDHN CN1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000266722682 131769703 /nfs/dbraw/zinc/76/97/03/131769703.db2.gz MQCVCWJRQYYWBH-UHFFFAOYSA-N 0 3 283.284 0.374 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCNC[C@H]2C)c1[N+](=O)[O-] ZINC000269221438 132135084 /nfs/dbraw/zinc/13/50/84/132135084.db2.gz SNATXQXONKTTQZ-ZCFIWIBFSA-N 0 3 253.262 0.060 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCNC[C@H]2C)c1[N+](=O)[O-] ZINC000269221438 132135085 /nfs/dbraw/zinc/13/50/85/132135085.db2.gz SNATXQXONKTTQZ-ZCFIWIBFSA-N 0 3 253.262 0.060 20 5 CCBDHN CNCC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000269232649 132138255 /nfs/dbraw/zinc/13/82/55/132138255.db2.gz DMXBOFRUDRGZTC-UHFFFAOYSA-N 0 3 253.258 0.439 20 5 CCBDHN C[C@@H]1[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)CCN1C ZINC000357028144 144051579 /nfs/dbraw/zinc/05/15/79/144051579.db2.gz BNLVPGQMYVTECN-GHMZBOCLSA-N 0 3 267.333 0.816 20 5 CCBDHN CN(C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285229509 196226595 /nfs/dbraw/zinc/22/65/95/196226595.db2.gz GYDPCADKAVDCDR-MRVPVSSYSA-N 0 3 267.289 0.484 20 5 CCBDHN C[C@@H](NCCCS(N)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000045067520 175299955 /nfs/dbraw/zinc/29/99/55/175299955.db2.gz KGXOMSWKNQFEDL-SECBINFHSA-N 0 3 287.341 0.924 20 5 CCBDHN C[C@H](NCCCS(N)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000045067518 175300072 /nfs/dbraw/zinc/30/00/72/175300072.db2.gz KGXOMSWKNQFEDL-VIFPVBQESA-N 0 3 287.341 0.924 20 5 CCBDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356641060 274375673 /nfs/dbraw/zinc/37/56/73/274375673.db2.gz YFHYDGXCFLHRDC-ZJUUUORDSA-N 0 3 293.327 0.637 20 5 CCBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CCN1C ZINC000361065167 274395046 /nfs/dbraw/zinc/39/50/46/274395046.db2.gz ILWXLPMKVLCKRH-BDAKNGLRSA-N 0 3 293.327 0.983 20 5 CCBDHN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104228206 278250773 /nfs/dbraw/zinc/25/07/73/278250773.db2.gz UDPHFAFYQAEANJ-LURJTMIESA-N 0 3 293.732 0.874 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000152995154 289219398 /nfs/dbraw/zinc/21/93/98/289219398.db2.gz NMZLEKWWCFHIAL-CQSZACIVSA-N 0 3 295.339 0.566 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN[C@@H](C)[C@H]2C)n1 ZINC000583565701 328616234 /nfs/dbraw/zinc/61/62/34/328616234.db2.gz JPQGCJISWSEWBC-DTWKUNHWSA-N 0 3 281.316 0.634 20 5 CCBDHN COc1ccc(NC(=O)[C@H]2CCN2)cc1[N+](=O)[O-] ZINC000384829062 336132250 /nfs/dbraw/zinc/13/22/50/336132250.db2.gz ZXHCQXRZVWJLOO-MRVPVSSYSA-N 0 3 251.242 0.904 20 5 CCBDHN COCCN(C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000061379521 523615288 /nfs/dbraw/zinc/61/52/88/523615288.db2.gz NXQXOTNOSJSZKH-UHFFFAOYSA-N 0 3 255.278 0.375 20 5 CCBDHN Cc1ccc(C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000157361350 526182611 /nfs/dbraw/zinc/18/26/11/526182611.db2.gz DZJUGUJNVJJCLS-LLVKDONJSA-N 0 3 279.296 0.621 20 5 CCBDHN CCc1n[nH]c(C(=O)NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000345951726 536003433 /nfs/dbraw/zinc/00/34/33/536003433.db2.gz HCJOMPXHHNVYLS-UHFFFAOYSA-N 0 3 299.331 0.188 20 5 CCBDHN COCCN(C)CCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357956397 536798546 /nfs/dbraw/zinc/79/85/46/536798546.db2.gz XCDHSJMKLNNEHY-UHFFFAOYSA-N 0 3 299.331 0.026 20 5 CCBDHN CC(C)[C@H](CN(C)C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000764360319 582043654 /nfs/dbraw/zinc/04/36/54/582043654.db2.gz BLWCBUPDTKMUTR-QMMMGPOBSA-N 0 3 269.305 0.634 20 5 CCBDHN CC(C)C(=O)NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818943134 613911903 /nfs/dbraw/zinc/91/19/03/613911903.db2.gz UTSWTMDVDNIAOW-ZDUSSCGKSA-N 0 3 295.339 0.990 20 5 CCBDHN CCC(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813107242 614552843 /nfs/dbraw/zinc/55/28/43/614552843.db2.gz NNABJAMJQIZXSW-NXEZZACHSA-N 0 3 272.301 0.843 20 5 CCBDHN CCC(=O)N[C@H](CCSC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103148 614977942 /nfs/dbraw/zinc/97/79/42/614977942.db2.gz AISRPTHAPVWXSX-DTWKUNHWSA-N 0 3 292.357 0.843 20 5 CCBDHN CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000922164399 615324627 /nfs/dbraw/zinc/32/46/27/615324627.db2.gz LOFPZIZKOPGERN-QMMMGPOBSA-N 0 3 252.274 0.747 20 5 CCBDHN CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000922164399 615324629 /nfs/dbraw/zinc/32/46/29/615324629.db2.gz LOFPZIZKOPGERN-QMMMGPOBSA-N 0 3 252.274 0.747 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868345670 615924524 /nfs/dbraw/zinc/92/45/24/615924524.db2.gz NFYQOWTXRMFIAK-JTQLQIEISA-N 0 3 299.302 0.315 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC000930619724 616390468 /nfs/dbraw/zinc/39/04/68/616390468.db2.gz GNQAMTISBLWKIL-BXKDBHETSA-N 0 3 291.311 0.580 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000816951735 616507509 /nfs/dbraw/zinc/50/75/09/616507509.db2.gz VHQNURSEDCEGRG-MFKMUULPSA-N 0 3 290.323 0.953 20 5 CCBDHN CC(COC(=O)[C@@H]1CCCCS1(=O)=O)[N+](=O)[O-] ZINC000813103878 624649317 /nfs/dbraw/zinc/64/93/17/624649317.db2.gz HQBHIRUOVGDIOY-YUMQZZPRSA-N 0 3 265.287 0.162 20 5 CCBDHN O=[N+]([O-])c1cnn(CN2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000902645804 634428514 /nfs/dbraw/zinc/42/85/14/634428514.db2.gz YTTQZNHMTSUNBV-OLZOCXBDSA-N 0 3 295.343 0.280 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC(C3OCCO3)CC2)c1 ZINC000174840409 637958348 /nfs/dbraw/zinc/95/83/48/637958348.db2.gz KIGDDZWYOJOLEQ-UHFFFAOYSA-N 0 3 296.327 0.876 20 5 CCBDHN O=[N+]([O-])c1ccc([O-])cc1CN1CCNCC[NH2+]CC1 ZINC000923460467 640148151 /nfs/dbraw/zinc/14/81/51/640148151.db2.gz SNAOJHVMYRPVJD-UHFFFAOYSA-N 0 3 280.328 0.295 20 5 CCBDHN CC(COC(=O)c1cncc(-n2ccnn2)c1)[N+](=O)[O-] ZINC000813103393 641021734 /nfs/dbraw/zinc/02/17/34/641021734.db2.gz PRQNNFLOCCXQIJ-MRVPVSSYSA-N 0 3 277.240 0.484 20 5 CCBDHN CC(COC(=O)Cc1csc(-c2nc[nH]n2)n1)[N+](=O)[O-] ZINC000813104540 641021931 /nfs/dbraw/zinc/02/19/31/641021931.db2.gz DMFPRZRDQQUUSH-ZCFIWIBFSA-N 0 3 297.296 0.679 20 5 CCBDHN CC(COC(=O)c1ccc(C(N)=O)s1)[N+](=O)[O-] ZINC000813102925 641022264 /nfs/dbraw/zinc/02/22/64/641022264.db2.gz LSPRROWXEMFGAQ-RXMQYKEDSA-N 0 3 258.255 0.669 20 5 CCBDHN CC(COC(=O)Cc1ccc(-n2cnnn2)cc1)[N+](=O)[O-] ZINC000813104528 641022375 /nfs/dbraw/zinc/02/23/75/641022375.db2.gz NWXSMTIXSIECOP-VIFPVBQESA-N 0 3 291.267 0.413 20 5 CCBDHN CC(COC(=O)CN1CCCCCCC1=O)[N+](=O)[O-] ZINC000813115469 641024370 /nfs/dbraw/zinc/02/43/70/641024370.db2.gz SSYXOTMFKCFQDM-SNVBAGLBSA-N 0 3 272.301 0.988 20 5 CCBDHN CC(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[N+](=O)[O-] ZINC000813115259 641024527 /nfs/dbraw/zinc/02/45/27/641024527.db2.gz NWJMHLZXGWAFMI-UWVGGRQHSA-N 0 3 296.279 0.837 20 5 CCBDHN CC(COC(=O)CN1CCCCCCC1=O)[N+](=O)[O-] ZINC000813115468 641024657 /nfs/dbraw/zinc/02/46/57/641024657.db2.gz SSYXOTMFKCFQDM-JTQLQIEISA-N 0 3 272.301 0.988 20 5 CCBDHN C[C@H](C[N+](=O)[O-])OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000814048625 641055240 /nfs/dbraw/zinc/05/52/40/641055240.db2.gz VTZYDFUFNBQAEJ-VQVTYTSYSA-N 0 3 298.217 0.652 20 5 CCBDHN CC(COC(=O)C[C@H]1CCCS(=O)(=O)C1)[N+](=O)[O-] ZINC000816091121 641140835 /nfs/dbraw/zinc/14/08/35/641140835.db2.gz LPXVNHKSRLJCGC-RKDXNWHRSA-N 0 3 279.314 0.410 20 5 CCBDHN CC(COC(=O)C[C@H]1CCCS(=O)(=O)C1)[N+](=O)[O-] ZINC000816091119 641140858 /nfs/dbraw/zinc/14/08/58/641140858.db2.gz LPXVNHKSRLJCGC-DTWKUNHWSA-N 0 3 279.314 0.410 20 5 CCBDHN O=[N+]([O-])c1ccc(-c2noc(C[C@H]3CNCCO3)n2)o1 ZINC000843237476 643017726 /nfs/dbraw/zinc/01/77/26/643017726.db2.gz CNWZXZZRGOMLJO-ZETCQYMHSA-N 0 3 280.240 0.769 20 5 CCBDHN CC(COC(=O)c1ccc2c(n1)OCCO2)[N+](=O)[O-] ZINC000847714601 643549662 /nfs/dbraw/zinc/54/96/62/643549662.db2.gz XGIVJYANCWBNJS-SSDOTTSWSA-N 0 3 268.225 0.675 20 5 CCBDHN Cc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c(N)c([N+](=O)[O-])c1 ZINC000852870302 644032870 /nfs/dbraw/zinc/03/28/70/644032870.db2.gz ROCARVIQOREDDY-NXEZZACHSA-N 0 3 296.302 0.997 20 5 CCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccn[nH]1 ZINC001123892323 799496693 /nfs/dbraw/zinc/49/66/93/799496693.db2.gz XMLGPDOPNKYHHO-UHFFFAOYSA-N 0 3 289.295 0.838 20 5 CCBDHN CN(C[C@H]1CCCN1C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001142620315 800138965 /nfs/dbraw/zinc/13/89/65/800138965.db2.gz FXOXQEXQWZPYSF-SECBINFHSA-N 0 3 281.316 0.495 20 5 CCBDHN C[C@@H](Nc1nc(Cl)ncc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159488454 801817447 /nfs/dbraw/zinc/81/74/47/801817447.db2.gz DGEYDKCRKXOMDF-SVRRBLITSA-N 0 3 287.707 0.827 20 5 CCBDHN Cc1ncc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CNCCO2)n1 ZINC001159495111 801820155 /nfs/dbraw/zinc/82/01/55/801820155.db2.gz CVSQMXFKWKPURL-XCBNKYQSSA-N 0 3 267.289 0.482 20 5 CCBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(N)n1)[C@@H]1CNCCO1 ZINC001159496101 801821447 /nfs/dbraw/zinc/82/14/47/801821447.db2.gz BPJWIUDZCSANCI-APPZFPTMSA-N 0 3 267.289 0.361 20 5 CCBDHN CCN1CCCN(c2ncc([N+](=O)[O-])c(OC)n2)CC1 ZINC001163771293 802608677 /nfs/dbraw/zinc/60/86/77/802608677.db2.gz LUXVKOMUSWPUAR-UHFFFAOYSA-N 0 3 281.316 0.925 20 5 CCBDHN CN1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1=O ZINC001166685537 802937855 /nfs/dbraw/zinc/93/78/55/802937855.db2.gz GCIZSNZWCBXGQA-SNVBAGLBSA-N 0 3 276.296 0.841 20 5 CCBDHN CC(=O)N1CC(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580225 808262442 /nfs/dbraw/zinc/26/24/42/808262442.db2.gz CIPYXZGGJXQOLX-GFCCVEGCSA-N 0 3 275.308 0.882 20 5 CCBDHN CC(C)(N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254575751 808262720 /nfs/dbraw/zinc/26/27/20/808262720.db2.gz SZKVXVUWMRBGTH-JTQLQIEISA-N 0 3 263.297 0.916 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H](CO)[C@@H](O)C1)C2 ZINC001254593534 808264800 /nfs/dbraw/zinc/26/48/00/808264800.db2.gz MNLBQDCHDGNHAX-GLQYFDAESA-N 0 3 292.335 0.737 20 5 CCBDHN NCc1cn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC001154906934 821718367 /nfs/dbraw/zinc/71/83/67/821718367.db2.gz QYHJJKXLOJWFDV-UHFFFAOYSA-N 0 3 264.201 0.542 20 5 CCBDHN NC(=O)CCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168953970 836074752 /nfs/dbraw/zinc/07/47/52/836074752.db2.gz CVFITIXXHSUQEZ-UHFFFAOYSA-N 0 3 250.258 0.485 20 5 CCBDHN CCOC(=O)CC1(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)COC1 ZINC001168978439 836076618 /nfs/dbraw/zinc/07/66/18/836076618.db2.gz SDVPUJDDKBHZLE-QWRGUYRKSA-N 0 3 286.328 0.744 20 5 CCBDHN CN1CCCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1=O ZINC001169038286 836112619 /nfs/dbraw/zinc/11/26/19/836112619.db2.gz XUNHWPJJPZHMRH-MNOVXSKESA-N 0 3 255.318 0.596 20 5 CCBDHN CN1CCN(C2CN([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169042772 836113952 /nfs/dbraw/zinc/11/39/52/836113952.db2.gz FKFKVRVIJXGUQW-STQMWFEESA-N 0 3 282.388 0.363 20 5 CCBDHN C[C@H](N)c1ccn(-c2ccc([N+](=O)[O-])c(C(N)=O)n2)n1 ZINC001169228394 836163313 /nfs/dbraw/zinc/16/33/13/836163313.db2.gz PYADYGFZFXXJSS-LURJTMIESA-N 0 3 276.256 0.294 20 5 CCBDHN COc1ncc([N+](=O)[O-])c(-n2ccc([C@@H](C)N)n2)n1 ZINC001169228051 836163323 /nfs/dbraw/zinc/16/33/23/836163323.db2.gz LCGARUHLJASFDQ-ZCFIWIBFSA-N 0 3 264.245 0.599 20 5 CCBDHN CCOc1cnc(-n2nncc2CN)c([N+](=O)[O-])c1 ZINC001169308165 836206839 /nfs/dbraw/zinc/20/68/39/836206839.db2.gz ITNGZJOTVCEKTP-UHFFFAOYSA-N 0 3 264.245 0.428 20 5 CCBDHN COc1nc(SC)nc(-n2nncc2CN)c1[N+](=O)[O-] ZINC001169308412 836208623 /nfs/dbraw/zinc/20/86/23/836208623.db2.gz MACKTNXTCSGRAW-UHFFFAOYSA-N 0 3 297.300 0.155 20 5 CCBDHN CNc1cc([N+](=O)[O-])cnc1-n1[n-]c(=O)c(CC[NH3+])c1C ZINC001170337879 837317277 /nfs/dbraw/zinc/31/72/77/837317277.db2.gz HZZNMEXELJJTLF-UHFFFAOYSA-N 0 3 292.299 0.732 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CNCCO2)n1 ZINC001170559338 838083497 /nfs/dbraw/zinc/08/34/97/838083497.db2.gz WCTVRLYOOKHASD-PSASIEDQSA-N 0 3 282.300 0.787 20 5 CCBDHN COc1nc(C)nc(N[C@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170560912 838101816 /nfs/dbraw/zinc/10/18/16/838101816.db2.gz AYKNDEXVULNPTL-APPZFPTMSA-N 0 3 297.315 0.491 20 5 CCBDHN COc1ccnc(N[C@@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170561965 838104874 /nfs/dbraw/zinc/10/48/74/838104874.db2.gz HRPASIILNXGMOS-WCBMZHEXSA-N 0 3 282.300 0.787 20 5 CCBDHN CC(COC(=O)CCOC[C@H]1CCCO1)[N+](=O)[O-] ZINC000813100035 838676226 /nfs/dbraw/zinc/67/62/26/838676226.db2.gz KNGAJMJTHHOKIB-NXEZZACHSA-N 0 3 261.274 0.781 20 5 CCBDHN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC001135515622 839270426 /nfs/dbraw/zinc/27/04/26/839270426.db2.gz DLLILNLEQHHQJF-UHFFFAOYSA-N 0 3 296.312 0.294 20 5 CCBDHN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1ncn[nH]1 ZINC001135515622 839270448 /nfs/dbraw/zinc/27/04/48/839270448.db2.gz DLLILNLEQHHQJF-UHFFFAOYSA-N 0 3 296.312 0.294 20 5 CCBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1CNCCO1 ZINC001159496273 839312713 /nfs/dbraw/zinc/31/27/13/839312713.db2.gz IRHIZVILPDLMAF-OIBJUYFYSA-N 0 3 270.264 0.918 20 5 CCBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1CNCCO1 ZINC001159496274 839313705 /nfs/dbraw/zinc/31/37/05/839313705.db2.gz IRHIZVILPDLMAF-XCBNKYQSSA-N 0 3 270.264 0.918 20 5 CCBDHN Cc1c(CNC[C@H](O)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000717296932 848222535 /nfs/dbraw/zinc/22/25/35/848222535.db2.gz YONBGXZKHLZWRY-CABZTGNLSA-N 0 3 254.286 0.735 20 5 CCBDHN Cn1c(C[N+](=O)[O-])nnc1N1CCN(C(C)(C)C)CC1 ZINC001338060131 921355457 /nfs/dbraw/zinc/35/54/57/921355457.db2.gz PEACFWQHQLQTDH-UHFFFAOYSA-N 0 3 282.348 0.512 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CN(C)CC1(C)C ZINC001303988114 908131146 /nfs/dbraw/zinc/13/11/46/908131146.db2.gz GKXPIBRIRCLQSY-JTQLQIEISA-N 0 3 295.343 0.556 20 5 CCBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1CCCN(C)C1 ZINC001310517763 908501746 /nfs/dbraw/zinc/50/17/46/908501746.db2.gz CHFXPCWSUYAOMV-SNVBAGLBSA-N 0 3 293.327 0.936 20 5 CCBDHN C[C@H](O)C[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090589184 349439163 /nfs/dbraw/zinc/43/91/63/349439163.db2.gz VRQUFQKXAGQJFL-NWDGAFQWSA-N 0 3 295.339 0.992 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCC[C@@H]3CO2)nc1 ZINC000091673445 349472978 /nfs/dbraw/zinc/47/29/78/349472978.db2.gz YTPRECYDTNHXCD-MWLCHTKSSA-N 0 3 279.300 0.660 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000152995263 282129391 /nfs/dbraw/zinc/12/93/91/282129391.db2.gz NMZLEKWWCFHIAL-AWEZNQCLSA-N 0 3 295.339 0.566 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599937128 361834638 /nfs/dbraw/zinc/83/46/38/361834638.db2.gz FCYGPBRYUIANPZ-NXEZZACHSA-N 0 3 294.311 0.204 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599937128 361834640 /nfs/dbraw/zinc/83/46/40/361834640.db2.gz FCYGPBRYUIANPZ-NXEZZACHSA-N 0 3 294.311 0.204 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599937128 361834643 /nfs/dbraw/zinc/83/46/43/361834643.db2.gz FCYGPBRYUIANPZ-NXEZZACHSA-N 0 3 294.311 0.204 20 5 CCBDHN CCN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CCN(C)CC1 ZINC000599985801 361846397 /nfs/dbraw/zinc/84/63/97/361846397.db2.gz IYRTZTDHIBHHOY-UHFFFAOYSA-N 0 3 295.343 0.885 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)[NH3+] ZINC000111302279 349770317 /nfs/dbraw/zinc/77/03/17/349770317.db2.gz LHTAQWCRHFIOHU-QMMMGPOBSA-N 0 3 273.314 0.529 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000358141704 529800533 /nfs/dbraw/zinc/80/05/33/529800533.db2.gz QFVGRNQQOUINMO-CYBMUJFWSA-N 0 3 294.311 0.783 20 5 CCBDHN CC(C)(F)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967555 362441225 /nfs/dbraw/zinc/44/12/25/362441225.db2.gz KLMZGHOZPJOJPC-VIFPVBQESA-N 0 3 260.269 0.490 20 5 CCBDHN C[C@H]1OCC[C@H]1N(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000361580926 232160043 /nfs/dbraw/zinc/16/00/43/232160043.db2.gz DKVKKRLLALMMSN-GHMZBOCLSA-N 0 3 284.316 0.263 20 5 CCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1OCC[C@@H]1N ZINC000602442959 362620648 /nfs/dbraw/zinc/62/06/48/362620648.db2.gz DBYXRYAAYARXDR-CMPLNLGQSA-N 0 3 279.296 0.669 20 5 CCBDHN CN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000602466690 362632330 /nfs/dbraw/zinc/63/23/30/362632330.db2.gz ZQMGEPBUEHQSSC-GFCCVEGCSA-N 0 3 279.344 0.997 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C(=O)N(C)C)C1 ZINC000602842407 362831451 /nfs/dbraw/zinc/83/14/51/362831451.db2.gz XRTBQCPBAWNTOS-LLVKDONJSA-N 0 3 295.343 0.510 20 5 CCBDHN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N(C)C ZINC000347017323 137315778 /nfs/dbraw/zinc/31/57/78/137315778.db2.gz SVLJGWMUFXADHG-ZETCQYMHSA-N 0 3 255.278 0.008 20 5 CCBDHN C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000068425038 348809715 /nfs/dbraw/zinc/80/97/15/348809715.db2.gz ASOKYFMZCJPFPK-NSHDSACASA-N 0 3 295.343 0.782 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000068468663 348811503 /nfs/dbraw/zinc/81/15/03/348811503.db2.gz QAVDMSIVFADADR-SNVBAGLBSA-N 0 3 293.327 0.453 20 5 CCBDHN CN1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076267368 349075844 /nfs/dbraw/zinc/07/58/44/349075844.db2.gz CQYNJPUKHYSZIZ-UHFFFAOYSA-N 0 3 252.278 0.473 20 5 CCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1CNCCO1 ZINC000091300865 180128380 /nfs/dbraw/zinc/12/83/80/180128380.db2.gz YIYJCSSQRWOBQW-LBPRGKRZSA-N 0 3 293.323 0.932 20 5 CCBDHN CCc1nn(C)c(NCCN(C)CCOC)c1[N+](=O)[O-] ZINC000091560866 180192070 /nfs/dbraw/zinc/19/20/70/180192070.db2.gz NWFMXQNNSHYVIJ-UHFFFAOYSA-N 0 3 285.348 0.881 20 5 CCBDHN CCN(CC)CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000129943476 350226818 /nfs/dbraw/zinc/22/68/18/350226818.db2.gz SFRCLOVSVAYGSB-UHFFFAOYSA-N 0 3 269.305 0.249 20 5 CCBDHN C[C@H](CN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000130803541 350249377 /nfs/dbraw/zinc/24/93/77/350249377.db2.gz NLTKOXHWISMWQJ-MRVPVSSYSA-N 0 3 266.301 0.857 20 5 CCBDHN COCCNCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135630868 350405148 /nfs/dbraw/zinc/40/51/48/350405148.db2.gz HZDNYRFDVCLKME-UHFFFAOYSA-N 0 3 285.275 0.700 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]([C@@H](C)O)C1 ZINC000162799431 350754094 /nfs/dbraw/zinc/75/40/94/350754094.db2.gz DEFQYQBDYOUCAE-KOLCDFICSA-N 0 3 268.317 0.802 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC(OCCO)CC2)c1 ZINC000339784451 215338268 /nfs/dbraw/zinc/33/82/68/215338268.db2.gz GXHMKCCLUNPWQA-UHFFFAOYSA-N 0 3 284.316 0.265 20 5 CCBDHN COC(=O)[C@@H](C)CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174862887 351107641 /nfs/dbraw/zinc/10/76/41/351107641.db2.gz KPNBCLBIZYABRO-VIFPVBQESA-N 0 3 270.289 0.532 20 5 CCBDHN C[C@@H]1CC[C@H](C(N)=O)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000176229926 351162812 /nfs/dbraw/zinc/16/28/12/351162812.db2.gz VIWJVBWKPPVRHG-ZJUUUORDSA-N 0 3 281.316 0.377 20 5 CCBDHN C[C@H]1CCNC(=O)[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000193626835 351837255 /nfs/dbraw/zinc/83/72/55/351837255.db2.gz DWNLMXAIYUOICV-TVYUQYBPSA-N 0 3 293.323 0.742 20 5 CCBDHN COCCNCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000216421373 351942526 /nfs/dbraw/zinc/94/25/26/351942526.db2.gz DHUKAVDOMJFAKY-UHFFFAOYSA-N 0 3 281.312 0.869 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)[C@@H]1CO ZINC000227195695 352040468 /nfs/dbraw/zinc/04/04/68/352040468.db2.gz WEHIXCNCCHBDKL-ONGXEEELSA-N 0 3 268.317 0.802 20 5 CCBDHN COCCNCC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856150 352136635 /nfs/dbraw/zinc/13/66/35/352136635.db2.gz LAIUTHRUDBWLHV-UHFFFAOYSA-N 0 3 281.312 0.755 20 5 CCBDHN CCc1nn(C)c(NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000234148276 352154670 /nfs/dbraw/zinc/15/46/70/352154670.db2.gz NIHMKADLDQEBOU-UHFFFAOYSA-N 0 3 285.348 0.881 20 5 CCBDHN CN1CCC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000604198296 363181457 /nfs/dbraw/zinc/18/14/57/363181457.db2.gz FRHMBNYKZKEBGZ-VIFPVBQESA-N 0 3 267.289 0.002 20 5 CCBDHN C[C@@]1(O)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437797 352441364 /nfs/dbraw/zinc/44/13/64/352441364.db2.gz BNMIUOLIIBADPF-BXUZGUMPSA-N 0 3 296.323 0.791 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCO[C@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000265408791 352636929 /nfs/dbraw/zinc/63/69/29/352636929.db2.gz ZNVWIRSJCURCSF-SECBINFHSA-N 0 3 297.315 0.029 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCO[C@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000265408791 352636932 /nfs/dbraw/zinc/63/69/32/352636932.db2.gz ZNVWIRSJCURCSF-SECBINFHSA-N 0 3 297.315 0.029 20 5 CCBDHN Cc1n[nH]c(C(=O)N2C[C@H](C)NC[C@@H]2C)c1[N+](=O)[O-] ZINC000272604633 353079135 /nfs/dbraw/zinc/07/91/35/353079135.db2.gz RJLFAAJWYVJNGV-BQBZGAKWSA-N 0 3 267.289 0.449 20 5 CCBDHN Cc1[nH]nc(C(=O)N2C[C@H](C)NC[C@@H]2C)c1[N+](=O)[O-] ZINC000272604633 353079136 /nfs/dbraw/zinc/07/91/36/353079136.db2.gz RJLFAAJWYVJNGV-BQBZGAKWSA-N 0 3 267.289 0.449 20 5 CCBDHN C[C@@]1(C(N)=O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280815794 353385428 /nfs/dbraw/zinc/38/54/28/353385428.db2.gz UGINTHUMISPTRW-TZMCWYRMSA-N 0 3 293.323 0.826 20 5 CCBDHN CO[C@@H](CN)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000290008666 353701033 /nfs/dbraw/zinc/70/10/33/353701033.db2.gz QBOVRHQETOVSSX-JTQLQIEISA-N 0 3 287.703 0.838 20 5 CCBDHN CN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298861011 353974392 /nfs/dbraw/zinc/97/43/92/353974392.db2.gz GYDJZXRUSHOGSY-UHFFFAOYSA-N 0 3 295.343 0.290 20 5 CCBDHN C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1CO ZINC000305444554 354146679 /nfs/dbraw/zinc/14/66/79/354146679.db2.gz ORTNAJMIFYKOBN-QWRGUYRKSA-N 0 3 268.317 0.884 20 5 CCBDHN COc1ccc(NC(=O)[C@H]2C[C@H](OC)CN2)cc1[N+](=O)[O-] ZINC000313235505 354212402 /nfs/dbraw/zinc/21/24/02/354212402.db2.gz FLJJRZNTROGYLB-VHSXEESVSA-N 0 3 295.295 0.919 20 5 CCBDHN C[C@@H]1COCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331432865 354573319 /nfs/dbraw/zinc/57/33/19/354573319.db2.gz DBCACKDWUAUUGF-CMPLNLGQSA-N 0 3 284.316 0.121 20 5 CCBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887736 358487484 /nfs/dbraw/zinc/48/74/84/358487484.db2.gz OZMMCBPKZHWEIY-UHFFFAOYSA-N 0 3 282.300 0.298 20 5 CCBDHN Cc1sc(C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423984445 235131421 /nfs/dbraw/zinc/13/14/21/235131421.db2.gz BVGJNXOGFXPROG-QMMMGPOBSA-N 0 3 285.325 0.683 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1O ZINC000352667668 356046879 /nfs/dbraw/zinc/04/68/79/356046879.db2.gz MIQMXELIELCSDC-QWRGUYRKSA-N 0 3 254.290 0.637 20 5 CCBDHN COC(=O)COc1ccc(CNC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000353178143 356170974 /nfs/dbraw/zinc/17/09/74/356170974.db2.gz AIYYUIIAZQSMRZ-SECBINFHSA-N 0 3 298.295 0.617 20 5 CCBDHN CC(C)C1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000619506672 366270384 /nfs/dbraw/zinc/27/03/84/366270384.db2.gz GQCNUEADENJJFK-GFCCVEGCSA-N 0 3 268.317 0.740 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](CCO)C2)c1 ZINC000610368758 363553234 /nfs/dbraw/zinc/55/32/34/363553234.db2.gz KPGTXDGRSDAZCX-AAEUAGOBSA-N 0 3 298.343 0.247 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CC[C@@H](C)C2)n1 ZINC000562372975 291148027 /nfs/dbraw/zinc/14/80/27/291148027.db2.gz PRTZXPMPEWFLHM-SNVBAGLBSA-N 0 3 295.343 0.883 20 5 CCBDHN Cc1cccc(C(=O)N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000588864434 359343515 /nfs/dbraw/zinc/34/35/15/359343515.db2.gz ISTVHKCGCGXRNU-JTQLQIEISA-N 0 3 281.312 0.556 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000588865183 359344943 /nfs/dbraw/zinc/34/49/43/359344943.db2.gz YADQCYHJMGSSNE-NSHDSACASA-N 0 3 281.312 0.176 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000588864729 359344993 /nfs/dbraw/zinc/34/49/93/359344993.db2.gz PNXQXQCQTLLGHK-VIFPVBQESA-N 0 3 267.285 0.247 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(C3CC3)C2)c1 ZINC000589656431 359395821 /nfs/dbraw/zinc/39/58/21/359395821.db2.gz BZQQCGQQTIUNBB-LBPRGKRZSA-N 0 3 266.301 0.494 20 5 CCBDHN CN1CC[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000590720112 359511066 /nfs/dbraw/zinc/51/10/66/359511066.db2.gz OYWHLTIQLXTAPE-ZJUUUORDSA-N 0 3 288.311 0.778 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCCN2C[C@H](O)[C@H](CO)C2)cc1 ZINC000590971087 359544097 /nfs/dbraw/zinc/54/40/97/359544097.db2.gz NBRKMSYLRWUPCV-FZMZJTMJSA-N 0 3 296.323 0.649 20 5 CCBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccncc1[N+](=O)[O-] ZINC000591985732 359719199 /nfs/dbraw/zinc/71/91/99/359719199.db2.gz QCOFQNDPTUKQRJ-SNVBAGLBSA-N 0 3 293.327 0.546 20 5 CCBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1cccnc1[N+](=O)[O-] ZINC000591986252 359719515 /nfs/dbraw/zinc/71/95/15/359719515.db2.gz TYZWXLJOGTWTED-SNVBAGLBSA-N 0 3 293.327 0.546 20 5 CCBDHN CC(C)[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1 ZINC000592242104 359804453 /nfs/dbraw/zinc/80/44/53/359804453.db2.gz NNTTXUHJTHSLGX-MRVPVSSYSA-N 0 3 267.289 0.388 20 5 CCBDHN Cn1nnnc1CCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000611314599 363707075 /nfs/dbraw/zinc/70/70/75/363707075.db2.gz QGLWTKNNYQUWCI-GQCTYLIASA-N 0 3 288.311 0.964 20 5 CCBDHN CN(C)CCN1CCN(c2ccsc2[N+](=O)[O-])CC1=O ZINC000593486382 360097534 /nfs/dbraw/zinc/09/75/34/360097534.db2.gz VADCVXDVLLINKX-UHFFFAOYSA-N 0 3 298.368 0.867 20 5 CCBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595111318 360438393 /nfs/dbraw/zinc/43/83/93/360438393.db2.gz HJBWKOKURFDBQD-ZETCQYMHSA-N 0 3 274.302 0.005 20 5 CCBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595108681 360438764 /nfs/dbraw/zinc/43/87/64/360438764.db2.gz SLEIPWDECZTIJG-UHFFFAOYSA-N 0 3 288.329 0.268 20 5 CCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC12CC(C1)C[NH2+]2 ZINC000595121567 360440658 /nfs/dbraw/zinc/44/06/58/360440658.db2.gz DSTDENQFRISVOU-UHFFFAOYSA-N 0 3 297.336 0.625 20 5 CCBDHN NC(=O)c1ccc(CN[C@@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595616970 360599248 /nfs/dbraw/zinc/59/92/48/360599248.db2.gz PTSZHYCITQMMHA-LBPRGKRZSA-N 0 3 293.323 0.944 20 5 CCBDHN CN1CCN(CCCn2cc([N+](=O)[O-])cc(F)c2=O)CC1 ZINC000563534696 291235840 /nfs/dbraw/zinc/23/58/40/291235840.db2.gz JBAXAWRVWFKGQD-UHFFFAOYSA-N 0 3 298.318 0.533 20 5 CCBDHN CN(C)[C@@]1(CNc2ccc(N)c([N+](=O)[O-])n2)CCSC1 ZINC000596149975 360812291 /nfs/dbraw/zinc/81/22/91/360812291.db2.gz SMPPAVBLMNTVLH-GFCCVEGCSA-N 0 3 297.384 0.843 20 5 CCBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(CC)C1 ZINC000598043274 361322022 /nfs/dbraw/zinc/32/20/22/361322022.db2.gz STRVKIJYQVEXQA-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN CC[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)N1 ZINC000598536154 361442433 /nfs/dbraw/zinc/44/24/33/361442433.db2.gz NCLNTPVKJPVTCI-VHSXEESVSA-N 0 3 281.316 0.390 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1CO ZINC000598648538 361472665 /nfs/dbraw/zinc/47/26/65/361472665.db2.gz UMWKVUKEQBAVBP-NEPJUHHUSA-N 0 3 295.339 0.707 20 5 CCBDHN CN(C)C1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000614723964 364711636 /nfs/dbraw/zinc/71/16/36/364711636.db2.gz OBKWIDKKMHSLOI-UHFFFAOYSA-N 0 3 266.301 0.420 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN(CCO)C2CCC2)c1 ZINC000275805328 193133919 /nfs/dbraw/zinc/13/39/19/193133919.db2.gz HBDPBUCKXREGSO-UHFFFAOYSA-N 0 3 254.290 0.638 20 5 CCBDHN N[C@H]1C[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565232372 291363962 /nfs/dbraw/zinc/36/39/62/291363962.db2.gz FAUIBQSHQKKVRI-UWVGGRQHSA-N 0 3 294.286 0.482 20 5 CCBDHN CCc1ccc(S(=O)(=O)NC2CNC2)cc1[N+](=O)[O-] ZINC000566215533 291378021 /nfs/dbraw/zinc/37/80/21/291378021.db2.gz ZMTMVEDZWLAYPS-UHFFFAOYSA-N 0 3 285.325 0.407 20 5 CCBDHN CC[C@@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000574450406 335020810 /nfs/dbraw/zinc/02/08/10/335020810.db2.gz RHIFDPPGMZOBLN-LLVKDONJSA-N 0 3 267.285 0.827 20 5 CCBDHN C[C@H](CSc1ncc([N+](=O)[O-])c(N)n1)N(C)C ZINC000514735017 249102118 /nfs/dbraw/zinc/10/21/18/249102118.db2.gz SDYVKXMCXLPMQM-ZCFIWIBFSA-N 0 3 257.319 0.840 20 5 CCBDHN Cc1ncsc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516275564 249158421 /nfs/dbraw/zinc/15/84/21/249158421.db2.gz SMNNVHDJKROVQF-JTQLQIEISA-N 0 3 297.340 0.707 20 5 CCBDHN Cc1nn(C)c(C(=O)NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000518660969 249257114 /nfs/dbraw/zinc/25/71/14/249257114.db2.gz MYOCFTIGSRYJOW-SNVBAGLBSA-N 0 3 295.343 0.708 20 5 CCBDHN CNc1nc(C(=O)N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000455850518 533074632 /nfs/dbraw/zinc/07/46/32/533074632.db2.gz TVOJLUXBAOXEQL-UHFFFAOYSA-N 0 3 281.316 0.665 20 5 CCBDHN CNc1nc(C(=O)NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000455663637 533078132 /nfs/dbraw/zinc/07/81/32/533078132.db2.gz LYSAPEIZNXZZJC-SECBINFHSA-N 0 3 293.327 0.856 20 5 CCBDHN O=[N+]([O-])c1cnc(N[C@H](CO)CN2CCCCC2)nc1 ZINC000295622840 285182092 /nfs/dbraw/zinc/18/20/92/285182092.db2.gz ATTRVIZBQSYZCY-JTQLQIEISA-N 0 3 281.316 0.644 20 5 CCBDHN CO[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000395338950 285225022 /nfs/dbraw/zinc/22/50/22/285225022.db2.gz YHYPLQCMZUXTCW-CHWSQXEVSA-N 0 3 266.297 0.829 20 5 CCBDHN C[C@H]1C[C@@H](CO)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000289039502 388867311 /nfs/dbraw/zinc/86/73/11/388867311.db2.gz POGFYRVCHGQWGP-RYUDHWBXSA-N 0 3 295.339 0.849 20 5 CCBDHN CN1CCN(C)[C@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000070078994 388953681 /nfs/dbraw/zinc/95/36/81/388953681.db2.gz HIUCCRXDJWKPFJ-CYBMUJFWSA-N 0 3 278.356 0.930 20 5 CCBDHN CCCc1[nH]nc(C(=O)N2CCNCC2)c1[N+](=O)[O-] ZINC000159419461 389366316 /nfs/dbraw/zinc/36/63/16/389366316.db2.gz BUDQGGONNZZBPZ-UHFFFAOYSA-N 0 3 267.289 0.316 20 5 CCBDHN C[C@@H](CO)[C@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274006148 389477488 /nfs/dbraw/zinc/47/74/88/389477488.db2.gz LIIUPAHDHRIGJB-IUCAKERBSA-N 0 3 281.312 0.800 20 5 CCBDHN CN(C)CCOCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000349745810 389429961 /nfs/dbraw/zinc/42/99/61/389429961.db2.gz OUHLTJZWNPWZNP-UHFFFAOYSA-N 0 3 295.339 0.832 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCCN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000278816614 389562797 /nfs/dbraw/zinc/56/27/97/389562797.db2.gz PLKMPEXXGZEUTF-BETUJISGSA-N 0 3 282.296 0.401 20 5 CCBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)CN1 ZINC000423499970 389595236 /nfs/dbraw/zinc/59/52/36/389595236.db2.gz JXYLMRSFQQISEW-RQJHMYQMSA-N 0 3 253.262 0.140 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000351921472 389714964 /nfs/dbraw/zinc/71/49/64/389714964.db2.gz PTZSFAQKIAGIOJ-KOLCDFICSA-N 0 3 267.285 0.069 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC000351921471 389714978 /nfs/dbraw/zinc/71/49/78/389714978.db2.gz PTZSFAQKIAGIOJ-GXSJLCMTSA-N 0 3 267.285 0.069 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCOC1 ZINC000352185681 389767358 /nfs/dbraw/zinc/76/73/58/389767358.db2.gz FMCOIQYSEBPKFV-SNVBAGLBSA-N 0 3 254.290 0.902 20 5 CCBDHN Cc1cc(N2CCN3C[C@H](O)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000405217392 389813575 /nfs/dbraw/zinc/81/35/75/389813575.db2.gz KSGNJBNKDCYKTG-WDEREUQCSA-N 0 3 278.312 0.553 20 5 CCBDHN C[C@@H]1COCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000433152600 389901397 /nfs/dbraw/zinc/90/13/97/389901397.db2.gz RYOITPXCIQZJMK-BDAKNGLRSA-N 0 3 254.290 0.843 20 5 CCBDHN CN(C[C@H]1CCCN1C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000420632718 390018804 /nfs/dbraw/zinc/01/88/04/390018804.db2.gz IAHMWBXSWWNXQZ-MRVPVSSYSA-N 0 3 266.305 0.328 20 5 CCBDHN COCCN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCO[C@H]1C ZINC000489450660 390100393 /nfs/dbraw/zinc/10/03/93/390100393.db2.gz PZCAYYCBHCWRBP-NWDGAFQWSA-N 0 3 298.343 0.917 20 5 CCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547763715 390397037 /nfs/dbraw/zinc/39/70/37/390397037.db2.gz ZRBRJNUHVSYCDT-SCZZXKLOSA-N 0 3 281.316 0.730 20 5 CCBDHN CN(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000571654302 390746622 /nfs/dbraw/zinc/74/66/22/390746622.db2.gz OBEQZYTZXMFRMY-STQMWFEESA-N 0 3 283.303 0.841 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)NC[C@@H]2C)n1 ZINC000578647902 390896958 /nfs/dbraw/zinc/89/69/58/390896958.db2.gz NGPIIRQKUZDWKJ-IUCAKERBSA-N 0 3 281.316 0.634 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1CO ZINC000190912773 130160520 /nfs/dbraw/zinc/16/05/20/130160520.db2.gz UXODZSAJQUJHPX-MNOVXSKESA-N 0 3 281.312 0.317 20 5 CCBDHN C[C@H]1[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000357039369 144052640 /nfs/dbraw/zinc/05/26/40/144052640.db2.gz OCUKLMROFMSNPU-RYUDHWBXSA-N 0 3 294.355 0.781 20 5 CCBDHN C[C@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000357497105 144096528 /nfs/dbraw/zinc/09/65/28/144096528.db2.gz ABJDZGYJFUVSPX-IUCAKERBSA-N 0 3 293.327 0.983 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000358063895 144148710 /nfs/dbraw/zinc/14/87/10/144148710.db2.gz JTBZCVTVESCJLX-AWEZNQCLSA-N 0 3 293.323 0.320 20 5 CCBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1N(C)C ZINC000285669008 196361352 /nfs/dbraw/zinc/36/13/52/196361352.db2.gz DVNBSFFJTQWFGB-IUCAKERBSA-N 0 3 299.356 0.436 20 5 CCBDHN CO[C@H](C)CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000285672983 196362133 /nfs/dbraw/zinc/36/21/33/196362133.db2.gz MULVVOJIWKMJSB-SNVBAGLBSA-N 0 3 269.301 0.723 20 5 CCBDHN CC[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676269 174373665 /nfs/dbraw/zinc/37/36/65/174373665.db2.gz UPFJCQXCWDDIBI-NSHDSACASA-N 0 3 251.286 0.991 20 5 CCBDHN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCN(C)CC1 ZINC000044668222 175226393 /nfs/dbraw/zinc/22/63/93/175226393.db2.gz HOKYMBNSGWBNLF-UHFFFAOYSA-N 0 3 281.316 0.344 20 5 CCBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCCNC2)cc1 ZINC000071397269 176150675 /nfs/dbraw/zinc/15/06/75/176150675.db2.gz XRXRUROWNBKEKR-NSHDSACASA-N 0 3 299.352 0.766 20 5 CCBDHN C[C@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCN1 ZINC000122805382 279884592 /nfs/dbraw/zinc/88/45/92/279884592.db2.gz CQKLNEMZAUKAMI-VIFPVBQESA-N 0 3 299.352 0.796 20 5 CCBDHN CN(C)C1(CN(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CCC1 ZINC000275624600 289042532 /nfs/dbraw/zinc/04/25/32/289042532.db2.gz LSZNKKXHAMKHQA-UHFFFAOYSA-N 0 3 295.343 0.885 20 5 CCBDHN O=C(COC1CNC1)NCc1cccc([N+](=O)[O-])c1 ZINC000582962653 329290502 /nfs/dbraw/zinc/29/05/02/329290502.db2.gz SONANQINUPMTIN-UHFFFAOYSA-N 0 3 265.269 0.199 20 5 CCBDHN Cc1ccc(C)c(S(=O)(=O)NC2CNC2)c1[N+](=O)[O-] ZINC000193174752 335962332 /nfs/dbraw/zinc/96/23/32/335962332.db2.gz OBMTUPYBZNPJJA-UHFFFAOYSA-N 0 3 285.325 0.462 20 5 CCBDHN CCN(CCO)CCNCc1cccc([N+](=O)[O-])c1 ZINC000184539385 521117491 /nfs/dbraw/zinc/11/74/91/521117491.db2.gz RWKHPNVEQJZTQH-UHFFFAOYSA-N 0 3 267.329 0.999 20 5 CCBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455668971 527799727 /nfs/dbraw/zinc/79/97/27/527799727.db2.gz VEGXKLHCEGYQNM-UHFFFAOYSA-N 0 3 281.316 0.713 20 5 CCBDHN CCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000412884535 527876810 /nfs/dbraw/zinc/87/68/10/527876810.db2.gz XIKYTXYTEKPCMM-VIFPVBQESA-N 0 3 293.327 0.856 20 5 CCBDHN CC[C@H]1[C@H](CO)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451249881 529344426 /nfs/dbraw/zinc/34/44/26/529344426.db2.gz CRRBSKYCPMRCIA-AAEUAGOBSA-N 0 3 295.339 0.849 20 5 CCBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000747229944 581935689 /nfs/dbraw/zinc/93/56/89/581935689.db2.gz NKWJSWRYMRRTAO-UWVGGRQHSA-N 0 3 294.311 0.516 20 5 CCBDHN CC(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813110485 613844045 /nfs/dbraw/zinc/84/40/45/613844045.db2.gz BQNKYTPQLQBVIG-WCBMZHEXSA-N 0 3 258.274 0.453 20 5 CCBDHN CCN1CCN(CCNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891755998 615158612 /nfs/dbraw/zinc/15/86/12/615158612.db2.gz HZMQSSGMECAFRO-UHFFFAOYSA-N 0 3 282.348 0.378 20 5 CCBDHN CCOC(=O)[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000932649223 615378130 /nfs/dbraw/zinc/37/81/30/615378130.db2.gz PVIBUGCMPIPATK-NSHDSACASA-N 0 3 296.327 0.985 20 5 CCBDHN CN1CCN(C)CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000897095031 616237131 /nfs/dbraw/zinc/23/71/31/616237131.db2.gz OMBNBAAKLAIBAA-UHFFFAOYSA-N 0 3 279.344 0.673 20 5 CCBDHN CO[C@@H]1CC[C@@H]1N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000934115728 616694807 /nfs/dbraw/zinc/69/48/07/616694807.db2.gz SFFLHATZGVWOFW-NWDGAFQWSA-N 0 3 281.312 0.866 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@H]2CCCN2C)c1 ZINC000916685804 616871467 /nfs/dbraw/zinc/87/14/67/616871467.db2.gz QQGGLLLJUAIBKW-SNVBAGLBSA-N 0 3 295.295 0.637 20 5 CCBDHN CNC(=O)c1cncc(/C=C/C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813109394 616925838 /nfs/dbraw/zinc/92/58/38/616925838.db2.gz JSMHLKWYNFSEAB-NWALNABHSA-N 0 3 293.279 0.663 20 5 CCBDHN O=C(N[C@@H]1[C@H]2CN(C/C=C/Cl)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776378 623883379 /nfs/dbraw/zinc/88/33/79/623883379.db2.gz ARYXGGKKVXTGRJ-MENGPLDUSA-N 0 3 285.731 0.451 20 5 CCBDHN Cc1c(CNC[C@@](C)(O)CO)cccc1[N+](=O)[O-] ZINC000090288350 624484493 /nfs/dbraw/zinc/48/44/93/624484493.db2.gz RODXRHLHGDKYES-GFCCVEGCSA-N 0 3 254.286 0.736 20 5 CCBDHN Cc1nn(C)c(C)c1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107727 624652857 /nfs/dbraw/zinc/65/28/57/624652857.db2.gz VCPHWJALOJUGSH-ZETCQYMHSA-N 0 3 271.273 0.624 20 5 CCBDHN Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001022063970 624869950 /nfs/dbraw/zinc/86/99/50/624869950.db2.gz RKWICWVTZUVMDY-LMLFDSFASA-N 0 3 294.311 0.385 20 5 CCBDHN O=C(CCN1CC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000934022000 625004732 /nfs/dbraw/zinc/00/47/32/625004732.db2.gz SYZGUOSQXWUGDI-GFCCVEGCSA-N 0 3 279.296 0.990 20 5 CCBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2N[C@@H]2CNOC2)n1 ZINC000925861286 631407495 /nfs/dbraw/zinc/40/74/95/631407495.db2.gz ABZLMFSTDSWCNV-VWYCJHECSA-N 0 3 281.316 0.768 20 5 CCBDHN O=[N+]([O-])CCNCC1(OCCO)CCC(F)(F)CC1 ZINC000905391979 634862094 /nfs/dbraw/zinc/86/20/94/634862094.db2.gz YBFXISXCNYPXTD-UHFFFAOYSA-N 0 3 282.287 0.810 20 5 CCBDHN N[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000923395982 640119986 /nfs/dbraw/zinc/11/99/86/640119986.db2.gz SYRUOGZNDZJXAZ-UPJWGTAASA-N 0 3 283.303 0.999 20 5 CCBDHN CC(COC(=O)[C@@H]1CCc2cnn(C)c2C1)[N+](=O)[O-] ZINC000813105270 641022134 /nfs/dbraw/zinc/02/21/34/641022134.db2.gz LHIRWKJKAKSUMG-DTWKUNHWSA-N 0 3 267.285 0.733 20 5 CCBDHN Cc1cc(COCC(=O)OCC(C)[N+](=O)[O-])on1 ZINC000813105449 641022274 /nfs/dbraw/zinc/02/22/74/641022274.db2.gz ZMBCVAFPFLGFOJ-QMMMGPOBSA-N 0 3 258.230 0.708 20 5 CCBDHN Cc1cnc(COCC(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813103108 641022403 /nfs/dbraw/zinc/02/24/03/641022403.db2.gz NTVCGBPEQIFMOQ-ZETCQYMHSA-N 0 3 258.230 0.708 20 5 CCBDHN CC(COC(=O)c1ccnc2c1nnn2C)[N+](=O)[O-] ZINC000813103839 641022441 /nfs/dbraw/zinc/02/24/41/641022441.db2.gz UXWORJBWNNTDRT-ZCFIWIBFSA-N 0 3 265.229 0.185 20 5 CCBDHN CC(COC(=O)c1cc([N+](=O)[O-])cn1C)[N+](=O)[O-] ZINC000813108004 641023058 /nfs/dbraw/zinc/02/30/58/641023058.db2.gz SVWCEMXBFFGSCK-LURJTMIESA-N 0 3 257.202 0.755 20 5 CCBDHN CC(COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N+](=O)[O-] ZINC000813107771 641023782 /nfs/dbraw/zinc/02/37/82/641023782.db2.gz WAMRCSUZEKLCLV-ZETCQYMHSA-N 0 3 286.244 0.735 20 5 CCBDHN CC(COC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)[N+](=O)[O-] ZINC000816090857 641140426 /nfs/dbraw/zinc/14/04/26/641140426.db2.gz ALTAFZLQJPEELY-VHSXEESVSA-N 0 3 298.299 0.111 20 5 CCBDHN CC(COC(=O)C[C@@H]1CCCS(=O)(=O)C1)[N+](=O)[O-] ZINC000816091118 641140664 /nfs/dbraw/zinc/14/06/64/641140664.db2.gz LPXVNHKSRLJCGC-BDAKNGLRSA-N 0 3 279.314 0.410 20 5 CCBDHN Nc1ccc([N+](=O)[O-])c(N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000848766843 643676890 /nfs/dbraw/zinc/67/68/90/643676890.db2.gz ZWOAPLYAOWVQGD-WDEREUQCSA-N 0 3 278.312 0.432 20 5 CCBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccnn1C ZINC000879686267 647093532 /nfs/dbraw/zinc/09/35/32/647093532.db2.gz XGLFVIXFACLFQO-SNVBAGLBSA-N 0 3 291.311 0.841 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCN(C)C)C(C)C ZINC000935025949 649205773 /nfs/dbraw/zinc/20/57/73/649205773.db2.gz JBFMHZHEJTVVSK-UHFFFAOYSA-N 0 3 297.359 0.898 20 5 CCBDHN COc1nc(N[C@H](C)[C@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001159489103 801818006 /nfs/dbraw/zinc/81/80/06/801818006.db2.gz JLDWSBZPBQGNHQ-VXNVDRBHSA-N 0 3 283.288 0.182 20 5 CCBDHN C[C@@H](Nc1cccc([N+](=O)[O-])n1)[C@@H]1CNCCO1 ZINC001159495984 801821023 /nfs/dbraw/zinc/82/10/23/801821023.db2.gz HOYMHFNQSKOBQK-BDAKNGLRSA-N 0 3 252.274 0.779 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H](C)[C@@H]1CNCCO1 ZINC001159500321 801824497 /nfs/dbraw/zinc/82/44/97/801824497.db2.gz RUMHHRICWPGGDV-ONGXEEELSA-N 0 3 282.300 0.325 20 5 CCBDHN COc1nc(C)nc(-n2cnc(CN)c2)c1[N+](=O)[O-] ZINC001162297016 802302605 /nfs/dbraw/zinc/30/26/05/802302605.db2.gz UCJGOBDUGDHSJE-UHFFFAOYSA-N 0 3 264.245 0.346 20 5 CCBDHN COC(=O)c1ncc([N+](=O)[O-])cc1-n1nccc1CN ZINC001162597432 802374556 /nfs/dbraw/zinc/37/45/56/802374556.db2.gz PHYXOVWNNBRAAM-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN O=C1CC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)N1 ZINC001164168040 802681011 /nfs/dbraw/zinc/68/10/11/802681011.db2.gz ZGBVYTFNXNSRFM-SNVBAGLBSA-N 0 3 276.296 0.889 20 5 CCBDHN NC[C@H](N)C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218856215 804139196 /nfs/dbraw/zinc/13/91/96/804139196.db2.gz ANVALQFVCAWWKB-VIFPVBQESA-N 0 3 296.334 0.590 20 5 CCBDHN CCCc1cnc(=O)[n-]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228876839 805485726 /nfs/dbraw/zinc/48/57/26/805485726.db2.gz HKQSYPSZUAKASG-LLVKDONJSA-O 0 3 298.363 0.497 20 5 CCBDHN NC(=O)C1(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254566437 808260301 /nfs/dbraw/zinc/26/03/01/808260301.db2.gz KCPDRCFZNGODSA-SNVBAGLBSA-N 0 3 261.281 0.670 20 5 CCBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000702063223 809874761 /nfs/dbraw/zinc/87/47/61/809874761.db2.gz VQVAQLSBAXWMJC-GUBZILKMSA-N 0 3 281.316 0.389 20 5 CCBDHN CC(=O)NCCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001161658160 813869956 /nfs/dbraw/zinc/86/99/56/813869956.db2.gz JEJAHBWXGAAJRZ-UHFFFAOYSA-N 0 3 264.285 0.746 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(NC(=N)N2CCN(C)CC2)n1 ZINC001168735702 818539359 /nfs/dbraw/zinc/53/93/59/818539359.db2.gz DQHKTWVUNMLZIQ-UHFFFAOYSA-N 0 3 294.315 0.592 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702063131 819047670 /nfs/dbraw/zinc/04/76/70/819047670.db2.gz KQSUMTXUWKCKOH-VIFPVBQESA-N 0 3 299.714 0.966 20 5 CCBDHN COC(=O)C1(O)CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046310 836116556 /nfs/dbraw/zinc/11/65/56/836116556.db2.gz KHOUIQFILGAZQT-MNOVXSKESA-N 0 3 286.328 0.432 20 5 CCBDHN COc1ccc([N+](=O)[O-])nc1N[C@H](C)[C@H]1CNCCO1 ZINC001170567434 838122279 /nfs/dbraw/zinc/12/22/79/838122279.db2.gz JUSREZQQRRQNDD-PSASIEDQSA-N 0 3 282.300 0.787 20 5 CCBDHN C[C@@H](Nc1cc([N+](=O)[O-])c(=O)n(C)c1)[C@@H]1CNCCO1 ZINC001170566454 838126077 /nfs/dbraw/zinc/12/60/77/838126077.db2.gz GCKLIKLSFCUSLY-KCJUWKMLSA-N 0 3 282.300 0.082 20 5 CCBDHN C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C1=CCN(C)CC1 ZINC001325097521 913209629 /nfs/dbraw/zinc/20/96/29/913209629.db2.gz YQHURAVTGHAVCX-VIFPVBQESA-N 0 3 293.327 0.709 20 5 CCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2c(c1)CNC2 ZINC001326132652 913765027 /nfs/dbraw/zinc/76/50/27/913765027.db2.gz JNXXXKOZDOIIST-UHFFFAOYSA-N 0 3 288.267 0.428 20 5 CCBDHN Cc1nc(N[C@@H](CO)CN(C)C)ncc1[N+](=O)[O-] ZINC001327704289 914717076 /nfs/dbraw/zinc/71/70/76/914717076.db2.gz XJJBYRWZVHCFRS-MRVPVSSYSA-N 0 3 255.278 0.028 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CNCCO1)C2 ZINC001330584383 903892699 /nfs/dbraw/zinc/89/26/99/903892699.db2.gz JJNGDGXSHHHQSB-CYBMUJFWSA-N 0 3 263.297 0.899 20 5 CCBDHN COCCNCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332142070 917898736 /nfs/dbraw/zinc/89/87/36/917898736.db2.gz PKBUPHRDAYUWDL-UHFFFAOYSA-N 0 3 279.296 0.673 20 5 CCBDHN Cc1cc(NC(=O)[C@H]2CNCCN2C)cc([N+](=O)[O-])c1 ZINC001343681874 923416710 /nfs/dbraw/zinc/41/67/10/923416710.db2.gz SVFXIDNRPLNDLB-GFCCVEGCSA-N 0 3 278.312 0.745 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[NH2+]C2)nc1 ZINC000095091931 349589875 /nfs/dbraw/zinc/58/98/75/349589875.db2.gz PTBMZLGVKYQSOK-MRVPVSSYSA-N 0 3 286.313 0.020 20 5 CCBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CNCCO1 ZINC000157362850 290710877 /nfs/dbraw/zinc/71/08/77/290710877.db2.gz NNPWVJAUABKFFJ-VUUYWXRKSA-N 0 3 291.307 0.713 20 5 CCBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1N(C)C ZINC000270410649 190674880 /nfs/dbraw/zinc/67/48/80/190674880.db2.gz XGQKKIMQUMCEGC-DTWKUNHWSA-N 0 3 285.373 0.810 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000602508460 362650758 /nfs/dbraw/zinc/65/07/58/362650758.db2.gz CKPOVNKJNMVFGG-QMMMGPOBSA-N 0 3 283.259 0.452 20 5 CCBDHN CN(Cc1cn(C)nc1[N+](=O)[O-])C[C@H]1CCCN1C ZINC000602699030 362758846 /nfs/dbraw/zinc/75/88/46/362758846.db2.gz PIUBORDIPJURJW-LLVKDONJSA-N 0 3 267.333 0.854 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C1CC(O)C1 ZINC000602808596 362810886 /nfs/dbraw/zinc/81/08/86/362810886.db2.gz MOEKHUBQCRIRKQ-UHFFFAOYSA-N 0 3 254.290 0.555 20 5 CCBDHN CCNC(=O)[C@H](NCCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000339319514 215094016 /nfs/dbraw/zinc/09/40/16/215094016.db2.gz ZLYMZIPWYCBBTM-LLVKDONJSA-N 0 3 283.332 0.542 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CC[C@H](O)[C@H]3C2)n1 ZINC000344028071 137174112 /nfs/dbraw/zinc/17/41/12/137174112.db2.gz MFPMUTFYIRWIRD-DCAQKATOSA-N 0 3 266.301 0.494 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000344049394 137175535 /nfs/dbraw/zinc/17/55/35/137175535.db2.gz KNDRKORFQZLAQX-MVWJERBFSA-N 0 3 266.301 0.494 20 5 CCBDHN C[C@H]1C[C@H](CO)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000344133149 137178830 /nfs/dbraw/zinc/17/88/30/137178830.db2.gz POGFYRVCHGQWGP-NWDGAFQWSA-N 0 3 295.339 0.849 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](O)C2)c1 ZINC000032758450 348138436 /nfs/dbraw/zinc/13/84/36/348138436.db2.gz MWYJBYKXIOHLRM-CHWSQXEVSA-N 0 3 296.323 0.791 20 5 CCBDHN CC(C)(N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000040925382 348246064 /nfs/dbraw/zinc/24/60/64/348246064.db2.gz QXVIIRJDLFELGW-UHFFFAOYSA-N 0 3 292.339 0.981 20 5 CCBDHN O=[N+]([O-])c1ccccc1OCCN1[C@@H](CO)CC[C@H]1CO ZINC000347313096 137330645 /nfs/dbraw/zinc/33/06/45/137330645.db2.gz QHFDQSKIZORVOW-TXEJJXNPSA-N 0 3 296.323 0.791 20 5 CCBDHN O=[N+]([O-])c1cccc(OCCN2[C@H](CO)CC[C@H]2CO)c1 ZINC000347319980 137331047 /nfs/dbraw/zinc/33/10/47/137331047.db2.gz RQCUCNRLGIDWCC-STQMWFEESA-N 0 3 296.323 0.791 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)N1CCCC1 ZINC000066044972 348731201 /nfs/dbraw/zinc/73/12/01/348731201.db2.gz XPPQYDDQCIAQPH-SNVBAGLBSA-N 0 3 295.343 0.700 20 5 CCBDHN CNCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000070303913 348883774 /nfs/dbraw/zinc/88/37/74/348883774.db2.gz PJOVODFETZLXLQ-UHFFFAOYSA-N 0 3 273.314 0.435 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCN(C)C ZINC000080391298 349211393 /nfs/dbraw/zinc/21/13/93/349211393.db2.gz SCOGNPSAZXKAHV-UHFFFAOYSA-N 0 3 269.305 0.120 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H](C)N1C ZINC000339618992 215274098 /nfs/dbraw/zinc/27/40/98/215274098.db2.gz MBBMVYIKIDNAMW-QWRGUYRKSA-N 0 3 267.333 0.816 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)N1C ZINC000339628079 215276044 /nfs/dbraw/zinc/27/60/44/215276044.db2.gz GPMGQQDOTCBGTM-NTZNESFSSA-N 0 3 297.359 0.177 20 5 CCBDHN CN(C)CCN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000085363864 349332727 /nfs/dbraw/zinc/33/27/27/349332727.db2.gz IHFPMFCODVPKDV-UHFFFAOYSA-N 0 3 283.332 0.546 20 5 CCBDHN Cc1c(C(=O)N2CCN(C)C[C@H]2CN)cccc1[N+](=O)[O-] ZINC000124331891 350095051 /nfs/dbraw/zinc/09/50/51/350095051.db2.gz BJHZNWVSWRPBIW-LLVKDONJSA-N 0 3 292.339 0.618 20 5 CCBDHN Cc1cc(N2CCCN(CCO)CC2)ncc1[N+](=O)[O-] ZINC000092048061 180312092 /nfs/dbraw/zinc/31/20/92/180312092.db2.gz XXRAZSJFWBACID-UHFFFAOYSA-N 0 3 280.328 0.803 20 5 CCBDHN C[C@H]1CCCCN1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000136025249 350412910 /nfs/dbraw/zinc/41/29/10/350412910.db2.gz ZRLHFGLUMUCVJV-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN C[C@H]1CCCCN1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136025249 350412914 /nfs/dbraw/zinc/41/29/14/350412914.db2.gz ZRLHFGLUMUCVJV-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000157368312 350644468 /nfs/dbraw/zinc/64/44/68/350644468.db2.gz LGGBWYCLASTEEJ-MRVPVSSYSA-N 0 3 299.714 0.966 20 5 CCBDHN C[C@H]1C[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1C ZINC000164250391 350778041 /nfs/dbraw/zinc/77/80/41/350778041.db2.gz DJJZGEWBZBFFBW-IUCAKERBSA-N 0 3 281.316 0.873 20 5 CCBDHN COc1ccc(OCCN(C)CCO)c([N+](=O)[O-])c1 ZINC000173512487 351042593 /nfs/dbraw/zinc/04/25/93/351042593.db2.gz JCMORAMZKOFHBA-UHFFFAOYSA-N 0 3 270.285 0.906 20 5 CCBDHN C[C@@H]1CC[C@@H](C(N)=O)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000174846097 351106956 /nfs/dbraw/zinc/10/69/56/351106956.db2.gz UQPFRWAREFQYRG-NXEZZACHSA-N 0 3 281.316 0.377 20 5 CCBDHN CN(C)CCc1cn(CCn2ccc([N+](=O)[O-])n2)nn1 ZINC000603219387 363005412 /nfs/dbraw/zinc/00/54/12/363005412.db2.gz PWNUWXREYLWIMM-UHFFFAOYSA-N 0 3 279.304 0.187 20 5 CCBDHN NC(=O)CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176210688 351161490 /nfs/dbraw/zinc/16/14/90/351161490.db2.gz ZHBXXGMQBAADAG-UHFFFAOYSA-N 0 3 281.316 0.379 20 5 CCBDHN C[C@H]1CC[C@H](C(N)=O)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000176229938 351163252 /nfs/dbraw/zinc/16/32/52/351163252.db2.gz VIWJVBWKPPVRHG-UWVGGRQHSA-N 0 3 281.316 0.377 20 5 CCBDHN CNC(=O)[C@@H](C)CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176350759 351170227 /nfs/dbraw/zinc/17/02/27/351170227.db2.gz HXQNAJQMBHPHPU-VIFPVBQESA-N 0 3 269.305 0.105 20 5 CCBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCO)C2)nc1 ZINC000177734955 351211068 /nfs/dbraw/zinc/21/10/68/351211068.db2.gz DTZUJEBPIKSCQP-SECBINFHSA-N 0 3 252.274 0.468 20 5 CCBDHN CN(CCN(C)C1CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000186775014 351514014 /nfs/dbraw/zinc/51/40/14/351514014.db2.gz PLMWNCGCRHWCCC-UHFFFAOYSA-N 0 3 267.289 0.484 20 5 CCBDHN C[C@@]1(O)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000124090316 187121784 /nfs/dbraw/zinc/12/17/84/187121784.db2.gz FSIKZEMVKHJCQU-LLVKDONJSA-N 0 3 254.290 0.638 20 5 CCBDHN COCCNCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000212812425 351930504 /nfs/dbraw/zinc/93/05/04/351930504.db2.gz JNXDFJKHXAHACI-UHFFFAOYSA-N 0 3 281.312 0.490 20 5 CCBDHN CN1CCN(C)[C@@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000225327855 352001812 /nfs/dbraw/zinc/00/18/12/352001812.db2.gz XPNRQSXXRYHKQG-AWEZNQCLSA-N 0 3 278.356 0.930 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN1C ZINC000230697600 352117991 /nfs/dbraw/zinc/11/79/91/352117991.db2.gz RJNJOGDZDFVDMC-RKDXNWHRSA-N 0 3 293.327 0.785 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@]2(O)CCOC2)cc1 ZINC000229640023 352095066 /nfs/dbraw/zinc/09/50/66/352095066.db2.gz WSAZRNMEPZWMOJ-GFCCVEGCSA-N 0 3 252.270 0.836 20 5 CCBDHN CCCc1n[nH]c(C(=O)NCCNCCOC)c1[N+](=O)[O-] ZINC000236858441 352222070 /nfs/dbraw/zinc/22/20/70/352222070.db2.gz ZWQDROXQDVANNO-UHFFFAOYSA-N 0 3 299.331 0.236 20 5 CCBDHN COCCNCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000237183047 352250424 /nfs/dbraw/zinc/25/04/24/352250424.db2.gz GBRKEJLUJNFYLN-UHFFFAOYSA-N 0 3 296.327 0.359 20 5 CCBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1N(C)C ZINC000270403580 352929446 /nfs/dbraw/zinc/92/94/46/352929446.db2.gz VULDKPZGDXLCKT-BDAKNGLRSA-N 0 3 298.372 0.449 20 5 CCBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000274441136 353129816 /nfs/dbraw/zinc/12/98/16/353129816.db2.gz GUPBREGBALSDBA-NSHDSACASA-N 0 3 294.359 0.823 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)C1CCC1 ZINC000275831276 353206598 /nfs/dbraw/zinc/20/65/98/353206598.db2.gz LTIIIXLJMUSHFO-UHFFFAOYSA-N 0 3 281.312 0.603 20 5 CCBDHN CN(C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000155875315 188232529 /nfs/dbraw/zinc/23/25/29/188232529.db2.gz OBMQQTWQOIYANZ-UHFFFAOYSA-N 0 3 281.268 0.615 20 5 CCBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000290753075 353747400 /nfs/dbraw/zinc/74/74/00/353747400.db2.gz JAAYTGHKFIMHRY-NSHDSACASA-N 0 3 267.285 0.212 20 5 CCBDHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301203389 354072113 /nfs/dbraw/zinc/07/21/13/354072113.db2.gz NQNMTXOSCHHDHH-VIFPVBQESA-N 0 3 293.327 0.842 20 5 CCBDHN CCO[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304378058 354115576 /nfs/dbraw/zinc/11/55/76/354115576.db2.gz XOLBNSNOGGSPFC-STQMWFEESA-N 0 3 298.343 0.653 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](O)CC2)n1 ZINC000293301999 198593877 /nfs/dbraw/zinc/59/38/77/198593877.db2.gz WPJOPQCCIDPZRG-SNVBAGLBSA-N 0 3 254.290 0.638 20 5 CCBDHN CN(C)[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330516471 354389152 /nfs/dbraw/zinc/38/91/52/354389152.db2.gz INEJIUXCZDMCQJ-JTQLQIEISA-N 0 3 295.343 0.689 20 5 CCBDHN CCc1n[nH]c(C(=O)NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000271807367 191339248 /nfs/dbraw/zinc/33/92/48/191339248.db2.gz KENSVANWQXETBA-UHFFFAOYSA-N 0 3 293.327 0.872 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCN1C ZINC000345332486 355800465 /nfs/dbraw/zinc/80/04/65/355800465.db2.gz YHFYZECTGORGPY-SFYZADRCSA-N 0 3 267.289 0.530 20 5 CCBDHN C[C@H]1C[C@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1C ZINC000559367641 291082886 /nfs/dbraw/zinc/08/28/86/291082886.db2.gz TZBQFGGGDWYPFH-DTWKUNHWSA-N 0 3 281.316 0.873 20 5 CCBDHN CN(C)C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CCO1 ZINC000609258065 363481223 /nfs/dbraw/zinc/48/12/23/363481223.db2.gz HWZYUBRTIHXAHM-SECBINFHSA-N 0 3 269.305 0.095 20 5 CCBDHN CN(C)[C@H]1CN(c2ccncc2[N+](=O)[O-])C[C@@H]1O ZINC000359969023 356929522 /nfs/dbraw/zinc/92/95/22/356929522.db2.gz SNYXTGHUANVTPV-QWRGUYRKSA-N 0 3 252.274 0.101 20 5 CCBDHN COc1cc(N2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000405279387 357824002 /nfs/dbraw/zinc/82/40/02/357824002.db2.gz UPGMGEXDEJEQFJ-NWDGAFQWSA-N 0 3 293.323 0.859 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590447274 359469606 /nfs/dbraw/zinc/46/96/06/359469606.db2.gz XEXLQEFLXZYIGD-CMPLNLGQSA-N 0 3 293.327 0.344 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590447415 359469661 /nfs/dbraw/zinc/46/96/61/359469661.db2.gz XAXCYJBAHMLUTG-RKDXNWHRSA-N 0 3 279.300 0.402 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590447415 359469667 /nfs/dbraw/zinc/46/96/67/359469667.db2.gz XAXCYJBAHMLUTG-RKDXNWHRSA-N 0 3 279.300 0.402 20 5 CCBDHN CNC(=O)CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176287884 188988218 /nfs/dbraw/zinc/98/82/18/188988218.db2.gz SSFQNQYGZUEXLT-UHFFFAOYSA-N 0 3 295.343 0.639 20 5 CCBDHN COC(=O)[C@H]1CNCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000592434474 359840481 /nfs/dbraw/zinc/84/04/81/359840481.db2.gz IIHIALLYKUZFBA-CYBMUJFWSA-N 0 3 293.323 0.932 20 5 CCBDHN COCCN1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000611204234 363680770 /nfs/dbraw/zinc/68/07/70/363680770.db2.gz GOJKZLDLSJWNPE-SECBINFHSA-N 0 3 297.315 0.159 20 5 CCBDHN CN(C)CCN1CCN(c2ccncc2[N+](=O)[O-])CC1=O ZINC000593486482 360096951 /nfs/dbraw/zinc/09/69/51/360096951.db2.gz ZFAGRPUKFNEUGI-UHFFFAOYSA-N 0 3 293.327 0.200 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])c(OC[C@@H]2CNCCO2)n1 ZINC000594697491 360361701 /nfs/dbraw/zinc/36/17/01/360361701.db2.gz WLBJHQMVCBFYFG-JTQLQIEISA-N 0 3 267.285 0.974 20 5 CCBDHN CC(C)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595103058 360437232 /nfs/dbraw/zinc/43/72/32/360437232.db2.gz VMGWAABGEJJDAB-UHFFFAOYSA-N 0 3 274.302 0.005 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1O ZINC000595745073 360637529 /nfs/dbraw/zinc/63/75/29/360637529.db2.gz PIFKSFGXKOSZEP-NXEZZACHSA-N 0 3 268.317 0.740 20 5 CCBDHN O=[N+]([O-])c1ccc(CN2CCOC3(CNC3)C2)cc1 ZINC000596101218 360794395 /nfs/dbraw/zinc/79/43/95/360794395.db2.gz FFTNENZVQRLWRC-UHFFFAOYSA-N 0 3 263.297 0.769 20 5 CCBDHN CN(C)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596055016 360782367 /nfs/dbraw/zinc/78/23/67/360782367.db2.gz CFWYQKLHYPZUMH-UHFFFAOYSA-N 0 3 252.274 0.667 20 5 CCBDHN C[NH+](C)C[C@@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596172114 360821503 /nfs/dbraw/zinc/82/15/03/360821503.db2.gz KPGUUCNERHSNHC-NSHDSACASA-N 0 3 270.289 0.420 20 5 CCBDHN CN(CC1CN(C)C1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596454817 360899179 /nfs/dbraw/zinc/89/91/79/360899179.db2.gz VFBXCHZDJOCWGI-UHFFFAOYSA-N 0 3 280.328 0.667 20 5 CCBDHN O=[N+]([O-])c1cccc(CNCCN2CC[C@H](O)C2)c1 ZINC000599018189 361556515 /nfs/dbraw/zinc/55/65/15/361556515.db2.gz GUPKAUZDDLZFQA-ZDUSSCGKSA-N 0 3 265.313 0.751 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN(CCO)C2CCC2)n1 ZINC000275885692 193155608 /nfs/dbraw/zinc/15/56/08/193155608.db2.gz RDFKDOGHWFVXFZ-UHFFFAOYSA-N 0 3 254.290 0.638 20 5 CCBDHN C[NH2+]CCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000122992825 284689608 /nfs/dbraw/zinc/68/96/08/284689608.db2.gz DNEJKGBZVPOPJT-UHFFFAOYSA-N 0 3 287.341 0.791 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)cc1C ZINC000052093297 388927396 /nfs/dbraw/zinc/92/73/96/388927396.db2.gz QCNPBLOOCBFIHW-SNVBAGLBSA-N 0 3 299.352 0.852 20 5 CCBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCCNC2)c1 ZINC000237971233 389198319 /nfs/dbraw/zinc/19/83/19/389198319.db2.gz BGCBCJKHAVRUBQ-LLVKDONJSA-N 0 3 299.352 0.766 20 5 CCBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000246064601 389223363 /nfs/dbraw/zinc/22/33/63/389223363.db2.gz YRJJKVDINUFNKO-VHSXEESVSA-N 0 3 295.343 0.787 20 5 CCBDHN C[C@@H](O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000136330688 389266086 /nfs/dbraw/zinc/26/60/86/389266086.db2.gz ACBHTTQVTCMBDE-GHMZBOCLSA-N 0 3 268.317 0.884 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@@H]1CCCN1C ZINC000421699227 389370767 /nfs/dbraw/zinc/37/07/67/389370767.db2.gz APKZMGWVGXCOTJ-NSHDSACASA-N 0 3 295.343 0.652 20 5 CCBDHN CN(C[C@H]1CCCN1C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000421707657 389370985 /nfs/dbraw/zinc/37/09/85/389370985.db2.gz YAGIDQOBIJECCG-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN C[C@@H]1CC[C@H](O)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000421015835 389348744 /nfs/dbraw/zinc/34/87/44/389348744.db2.gz LFMULTJBHNRHHM-PWSUYJOCSA-N 0 3 281.312 0.602 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CNCCO2)c1 ZINC000415096431 389658404 /nfs/dbraw/zinc/65/84/04/389658404.db2.gz PVNLQIVJLMQOHD-LBPRGKRZSA-N 0 3 251.286 0.673 20 5 CCBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CNCCO2)cs1 ZINC000415096463 389658769 /nfs/dbraw/zinc/65/87/69/389658769.db2.gz QAILUMFEWWYHPZ-VIFPVBQESA-N 0 3 257.315 0.734 20 5 CCBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1O ZINC000446078074 389930688 /nfs/dbraw/zinc/93/06/88/389930688.db2.gz LJDINMLUJMOTSY-NWDGAFQWSA-N 0 3 298.343 0.245 20 5 CCBDHN COC[C@H](NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCCO1 ZINC000434792568 389946453 /nfs/dbraw/zinc/94/64/53/389946453.db2.gz HPTUAWTUIMAGSK-NWDGAFQWSA-N 0 3 284.316 0.575 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC000420440790 390004658 /nfs/dbraw/zinc/00/46/58/390004658.db2.gz NYXWWXAGTZREBR-GDGBQDQQSA-N 0 3 297.336 0.399 20 5 CCBDHN COCCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCO[C@@H]1C ZINC000489438565 390100186 /nfs/dbraw/zinc/10/01/86/390100186.db2.gz XMXQLISPROLXAG-YPMHNXCESA-N 0 3 298.343 0.917 20 5 CCBDHN NCCn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000579470252 390175584 /nfs/dbraw/zinc/17/55/84/390175584.db2.gz BAHFYLTWCVJPTR-UHFFFAOYSA-N 0 3 262.063 0.478 20 5 CCBDHN CC1(C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000546048177 390344411 /nfs/dbraw/zinc/34/44/11/390344411.db2.gz RMQZVKWDQJXZSU-JTQLQIEISA-N 0 3 254.290 0.637 20 5 CCBDHN Cc1nn(CCC(=O)N2CCCNCC2)c(C)c1[N+](=O)[O-] ZINC000237871422 131062450 /nfs/dbraw/zinc/06/24/50/131062450.db2.gz ALWWNIGQPKYZPO-UHFFFAOYSA-N 0 3 295.343 0.620 20 5 CCBDHN CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356478916 144006115 /nfs/dbraw/zinc/00/61/15/144006115.db2.gz MMMJLMQPJWVYIY-VIFPVBQESA-N 0 3 281.316 0.495 20 5 CCBDHN CN(c1ncccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000357611258 144104201 /nfs/dbraw/zinc/10/42/01/144104201.db2.gz DXXSHIZTMAXUCP-UHFFFAOYSA-N 0 3 280.328 0.883 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000358055345 144146528 /nfs/dbraw/zinc/14/65/28/144146528.db2.gz YQDZMFRDQUJLIQ-CQSZACIVSA-N 0 3 293.323 0.320 20 5 CCBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000369811379 144280050 /nfs/dbraw/zinc/28/00/50/144280050.db2.gz QXUIGYIDRXZZQO-LBPRGKRZSA-N 0 3 298.343 0.653 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CN1C1CC1 ZINC000548420449 286034745 /nfs/dbraw/zinc/03/47/45/286034745.db2.gz MUPPQUAXSLYCJS-SFYZADRCSA-N 0 3 279.300 0.673 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000552439318 286166690 /nfs/dbraw/zinc/16/66/90/286166690.db2.gz HRUCTKYKVSGIQK-STQMWFEESA-N 0 3 293.323 0.650 20 5 CCBDHN C[C@H]1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000524720659 269790283 /nfs/dbraw/zinc/79/02/83/269790283.db2.gz JTPNAHUGDWTRDO-JTQLQIEISA-N 0 3 281.316 0.249 20 5 CCBDHN O=C1[C@H](N2CCNCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000261880457 275029625 /nfs/dbraw/zinc/02/96/25/275029625.db2.gz UEUWOYDLHWNLRY-CYBMUJFWSA-N 0 3 290.323 0.605 20 5 CCBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285694904 277155704 /nfs/dbraw/zinc/15/57/04/277155704.db2.gz HFLJDHHTJWFVQQ-GXSJLCMTSA-N 0 3 293.327 0.874 20 5 CCBDHN COC(=O)[C@H](C)CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517817 277379920 /nfs/dbraw/zinc/37/99/20/277379920.db2.gz DMFAFCVTCAPAPB-SNVBAGLBSA-N 0 3 297.311 0.497 20 5 CCBDHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000157363297 524091826 /nfs/dbraw/zinc/09/18/26/524091826.db2.gz DWNLIBHZLNFPFO-NSHDSACASA-N 0 3 279.296 0.621 20 5 CCBDHN COC1(C)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000342147549 536564091 /nfs/dbraw/zinc/56/40/91/536564091.db2.gz FUOVDFOOKSERJW-GFCCVEGCSA-N 0 3 298.343 0.653 20 5 CCBDHN NC(=O)C1(NCCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000750048135 582031174 /nfs/dbraw/zinc/03/11/74/582031174.db2.gz FGTUIPFGOZYEED-UHFFFAOYSA-N 0 3 267.289 0.179 20 5 CCBDHN CC(COC(=O)[C@@H](C)NC(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813110791 617183371 /nfs/dbraw/zinc/18/33/71/617183371.db2.gz JPLBIJQLUFPERE-HTQZYQBOSA-N 0 3 260.290 0.746 20 5 CCBDHN COc1cc(C[C@H](CO)CNCC[N+](=O)[O-])cc(OC)c1 ZINC000905364501 617195905 /nfs/dbraw/zinc/19/59/05/617195905.db2.gz KFYVJCKGXAELHH-LBPRGKRZSA-N 0 3 298.339 0.721 20 5 CCBDHN CN(C)C1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000825856250 615856868 /nfs/dbraw/zinc/85/68/68/615856868.db2.gz SRGNWEBRBPNABD-UHFFFAOYSA-N 0 3 289.299 0.525 20 5 CCBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000845635616 615899794 /nfs/dbraw/zinc/89/97/94/615899794.db2.gz ZHADXDAJOFPNFY-UHFFFAOYSA-N 0 3 292.339 0.805 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000808175078 615924362 /nfs/dbraw/zinc/92/43/62/615924362.db2.gz RRYVOAVEIJDIOI-JECSTDCCSA-N 0 3 293.323 0.647 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NOCCN(C)C)n1 ZINC000854945412 616014950 /nfs/dbraw/zinc/01/49/50/616014950.db2.gz OUTAZRPPMBVAPK-UHFFFAOYSA-N 0 3 271.277 0.034 20 5 CCBDHN CN(CCO)CCN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000912611688 616100791 /nfs/dbraw/zinc/10/07/91/616100791.db2.gz UMIVUIWOXNXOAV-UHFFFAOYSA-N 0 3 295.339 0.520 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC000930619726 616354442 /nfs/dbraw/zinc/35/44/42/616354442.db2.gz GNQAMTISBLWKIL-JOYOIKCWSA-N 0 3 291.311 0.580 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@@H]2C1 ZINC000816949635 616391343 /nfs/dbraw/zinc/39/13/43/616391343.db2.gz AYFTUEQMRPHGTH-NOZJJQNGSA-N 0 3 290.323 0.953 20 5 CCBDHN CNC(=O)c1cccc(CCNCC[N+](=O)[O-])c1 ZINC000905132608 616916823 /nfs/dbraw/zinc/91/68/23/616916823.db2.gz MYBIZFLJSDROAP-UHFFFAOYSA-N 0 3 251.286 0.455 20 5 CCBDHN C[S@](=O)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158113208 622697474 /nfs/dbraw/zinc/69/74/74/622697474.db2.gz JVFDLKIZXNPQAK-BBATYDOGSA-N 0 3 272.326 0.596 20 5 CCBDHN CC(COC(=O)c1ccc([N+](=O)[O-])n1C)[N+](=O)[O-] ZINC000813106150 624649971 /nfs/dbraw/zinc/64/99/71/624649971.db2.gz ZMQAURFFYPAZGR-LURJTMIESA-N 0 3 257.202 0.755 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000928433402 631833668 /nfs/dbraw/zinc/83/36/68/631833668.db2.gz TVBWDPOSPFTHQL-ICCXJUOJSA-N 0 3 293.323 0.837 20 5 CCBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C ZINC000928450142 631854870 /nfs/dbraw/zinc/85/48/70/631854870.db2.gz CIDORULSMRWGDT-JGVFFNPUSA-N 0 3 252.274 0.745 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN(C)C)c1C ZINC000908201778 635313919 /nfs/dbraw/zinc/31/39/19/635313919.db2.gz RFJAPZQWWPPUAP-NSHDSACASA-N 0 3 295.339 0.864 20 5 CCBDHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799345936 640563235 /nfs/dbraw/zinc/56/32/35/640563235.db2.gz BUGJVPDBHPPOLW-OASPWFOLSA-N 0 3 293.323 0.742 20 5 CCBDHN CC(COC(=O)[C@H](C)OC[C@H]1CCCO1)[N+](=O)[O-] ZINC000813103614 641022730 /nfs/dbraw/zinc/02/27/30/641022730.db2.gz RKYDVGPJJALMMC-LPEHRKFASA-N 0 3 261.274 0.779 20 5 CCBDHN CC(COC(=O)Cc1ccc(-n2cnnn2)cc1)[N+](=O)[O-] ZINC000813104526 641022749 /nfs/dbraw/zinc/02/27/49/641022749.db2.gz NWXSMTIXSIECOP-SECBINFHSA-N 0 3 291.267 0.413 20 5 CCBDHN CC(COC(=O)c1ccnc(N(C)C)c1)[N+](=O)[O-] ZINC000813106361 641023394 /nfs/dbraw/zinc/02/33/94/641023394.db2.gz BQCLBULGPUMVRI-QMMMGPOBSA-N 0 3 253.258 0.970 20 5 CCBDHN CC(COC(=O)CNC(=O)Cc1cccc(F)c1)[N+](=O)[O-] ZINC000813106666 641023623 /nfs/dbraw/zinc/02/36/23/641023623.db2.gz FQRWCWPIFAPGQU-VIFPVBQESA-N 0 3 298.270 0.693 20 5 CCBDHN CC(COC(=O)c1ccnc(N(C)C)c1)[N+](=O)[O-] ZINC000813106360 641023794 /nfs/dbraw/zinc/02/37/94/641023794.db2.gz BQCLBULGPUMVRI-MRVPVSSYSA-N 0 3 253.258 0.970 20 5 CCBDHN CC(COC(=O)CNC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813110521 641024479 /nfs/dbraw/zinc/02/44/79/641024479.db2.gz CLRMMWOHJIYXNE-VIFPVBQESA-N 0 3 266.253 0.625 20 5 CCBDHN CC(COC(=O)CN1CCc2ccccc2C1=O)[N+](=O)[O-] ZINC000813112820 641024553 /nfs/dbraw/zinc/02/45/53/641024553.db2.gz UCYQORYXGDKAST-JTQLQIEISA-N 0 3 292.291 0.893 20 5 CCBDHN CC(COC(=O)c1ccc(CS(C)(=O)=O)o1)[N+](=O)[O-] ZINC000813113747 641025019 /nfs/dbraw/zinc/02/50/19/641025019.db2.gz UPXUVKZQPOJTTJ-ZETCQYMHSA-N 0 3 291.281 0.646 20 5 CCBDHN CCc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC000819052661 641376059 /nfs/dbraw/zinc/37/60/59/641376059.db2.gz BORIJZFCRINVQH-GFCCVEGCSA-N 0 3 294.315 0.228 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000820273438 641492210 /nfs/dbraw/zinc/49/22/10/641492210.db2.gz UVCAPOKFWGYEBW-MNOVXSKESA-N 0 3 293.327 0.262 20 5 CCBDHN C[C@@H]1CCCN1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848373295 643629002 /nfs/dbraw/zinc/62/90/02/643629002.db2.gz BSLUHBWVUBPNOP-SECBINFHSA-N 0 3 293.327 0.786 20 5 CCBDHN CC(COC(=O)/C=C/COC1CCOCC1)[N+](=O)[O-] ZINC000870377043 645987641 /nfs/dbraw/zinc/98/76/41/645987641.db2.gz NYRTZJMYCQZLRS-PBKGFPTLSA-N 0 3 273.285 0.947 20 5 CCBDHN CC(COC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)[N+](=O)[O-] ZINC000870378034 645988077 /nfs/dbraw/zinc/98/80/77/645988077.db2.gz ULFFRXJGFDIWDI-XVMARJQXSA-N 0 3 287.190 0.541 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000877750069 646839081 /nfs/dbraw/zinc/83/90/81/646839081.db2.gz HFLNKUOHPWPNEZ-OLZOCXBDSA-N 0 3 266.297 0.565 20 5 CCBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccnn1C ZINC000879686266 647093280 /nfs/dbraw/zinc/09/32/80/647093280.db2.gz XGLFVIXFACLFQO-JTQLQIEISA-N 0 3 291.311 0.841 20 5 CCBDHN Cc1cc(C(=O)NC[C@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC000137114545 647902781 /nfs/dbraw/zinc/90/27/81/647902781.db2.gz DAMNZNBTVOYYBA-GFCCVEGCSA-N 0 3 279.296 0.621 20 5 CCBDHN O=[N+]([O-])c1ncccc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000886247625 647933475 /nfs/dbraw/zinc/93/34/75/647933475.db2.gz WNXCKGGTJDBRFT-RYUDHWBXSA-N 0 3 281.312 0.867 20 5 CCBDHN O=C1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C(=O)N1 ZINC001167572697 791560124 /nfs/dbraw/zinc/56/01/24/791560124.db2.gz GGTKKWBLLJEUCL-VIFPVBQESA-N 0 3 290.279 0.415 20 5 CCBDHN C[C@H](C[N+](C)(C)C)Oc1cccc([O-])c1C(N)=O ZINC001234149860 806190726 /nfs/dbraw/zinc/19/07/26/806190726.db2.gz QFPOUDIRCYIWQS-SECBINFHSA-O 0 3 253.322 0.965 20 5 CCBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1c([N+](=O)[O-])cnn1C ZINC001122181317 799163040 /nfs/dbraw/zinc/16/30/40/799163040.db2.gz PMYQIUBFGZOYCZ-HRDYMLBCSA-N 0 3 281.316 0.539 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1-n1cnc(CN)c1 ZINC001154905220 800864641 /nfs/dbraw/zinc/86/46/41/800864641.db2.gz DBCARSXVJFLAQJ-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1ccc([C@H](C)N)n1 ZINC001158349998 801625920 /nfs/dbraw/zinc/62/59/20/801625920.db2.gz GMZVUZSATJBTAC-QMMMGPOBSA-N 0 3 263.257 0.742 20 5 CCBDHN COc1nc(N[C@@H](C)[C@@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001159489101 801818854 /nfs/dbraw/zinc/81/88/54/801818854.db2.gz JLDWSBZPBQGNHQ-CBAPKCEASA-N 0 3 283.288 0.182 20 5 CCBDHN COc1ncc([N+](=O)[O-])c(-n2cnc(CN)c2)n1 ZINC001162296812 802302846 /nfs/dbraw/zinc/30/28/46/802302846.db2.gz NFPSGFPCHSGMAN-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN Nc1nc(-n2cnc3c2CNCC3)ccc1[N+](=O)[O-] ZINC001164315998 802720321 /nfs/dbraw/zinc/72/03/21/802720321.db2.gz FCJVWOLIEGEQDZ-UHFFFAOYSA-N 0 3 260.257 0.403 20 5 CCBDHN COc1cc(-n2ncc3c2CCNC3)ncc1[N+](=O)[O-] ZINC001165219486 802798044 /nfs/dbraw/zinc/79/80/44/802798044.db2.gz SWLYNTSFLPUGOJ-UHFFFAOYSA-N 0 3 275.268 0.830 20 5 CCBDHN Nc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165274897 802811002 /nfs/dbraw/zinc/81/10/02/802811002.db2.gz UMWOJWLISFYQIX-QWRGUYRKSA-N 0 3 279.300 0.139 20 5 CCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cncc([O-])c1 ZINC001228893801 805486680 /nfs/dbraw/zinc/48/66/80/805486680.db2.gz WJEFLYFCRHFUOU-SNVBAGLBSA-O 0 3 255.294 0.150 20 5 CCBDHN Cc1cc(C(=O)NOCCN(C)C)c(N)c([N+](=O)[O-])c1 ZINC001261741262 809072271 /nfs/dbraw/zinc/07/22/71/809072271.db2.gz IHLCGHJHZFQOGH-UHFFFAOYSA-N 0 3 282.300 0.708 20 5 CCBDHN C[C@@H](N)c1ccn(-c2cc([N+](=O)[O-])c3nncn3c2)n1 ZINC001169234318 836166280 /nfs/dbraw/zinc/16/62/80/836166280.db2.gz GSEGAHIJKHOITJ-SSDOTTSWSA-N 0 3 273.256 0.843 20 5 CCBDHN COc1ccnc(-n2nncc2CN)c1[N+](=O)[O-] ZINC001169303936 836205104 /nfs/dbraw/zinc/20/51/04/836205104.db2.gz IMEGDKCHNCLOLL-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2nncc2CN)c1 ZINC001169311073 836210576 /nfs/dbraw/zinc/21/05/76/836210576.db2.gz AGDJZUCFPGYHPM-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN C[C@H](Nc1cc([N+](=O)[O-])c2nncn2c1)[C@@H]1CNCCO1 ZINC001170574939 838161577 /nfs/dbraw/zinc/16/15/77/838161577.db2.gz VFSLOYOYKYVJHM-KWQFWETISA-N 0 3 292.299 0.426 20 5 CCBDHN COc1cnc(N[C@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001159501493 839338045 /nfs/dbraw/zinc/33/80/45/839338045.db2.gz ZKSXYUQEXUWDRE-KCJUWKMLSA-N 0 3 282.300 0.787 20 5 CCBDHN Cc1nc(N[C@@H](C)[C@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001159502922 839343536 /nfs/dbraw/zinc/34/35/36/839343536.db2.gz QTDBAIFRYABAOR-WCBMZHEXSA-N 0 3 267.289 0.482 20 5 CCBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccns1 ZINC000716019055 841429621 /nfs/dbraw/zinc/42/96/21/841429621.db2.gz DICNFBOOSDVSJL-WCBMZHEXSA-N 0 3 297.340 0.960 20 5 CCBDHN C[C@H](N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326626079 914060041 /nfs/dbraw/zinc/06/00/41/914060041.db2.gz DRMPDUVNFBNFBG-QMMMGPOBSA-N 0 3 267.289 0.302 20 5 CCBDHN CCCN(CCN(C)C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001293937477 906534257 /nfs/dbraw/zinc/53/42/57/906534257.db2.gz DYLCAMQEMFCEAI-UHFFFAOYSA-N 0 3 295.343 0.986 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN[C@H](C)[C@H]1C ZINC001340922973 922276826 /nfs/dbraw/zinc/27/68/26/922276826.db2.gz OIURWMNGPLZAPT-RKDXNWHRSA-N 0 3 281.316 0.309 20 5 CCBDHN CCN(CCN)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599888151 361824441 /nfs/dbraw/zinc/82/44/41/361824441.db2.gz QVZSSVKWNWKXBK-UHFFFAOYSA-N 0 3 294.311 0.649 20 5 CCBDHN CCN(CCN)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000599888544 361824495 /nfs/dbraw/zinc/82/44/95/361824495.db2.gz STLDELIRUSEQDK-UHFFFAOYSA-N 0 3 294.311 0.649 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC[NH2+]CC2)nc1 ZINC000095091933 349590094 /nfs/dbraw/zinc/59/00/94/349590094.db2.gz NGGOEDBYFUGRMZ-UHFFFAOYSA-N 0 3 286.313 0.020 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000126386813 187235531 /nfs/dbraw/zinc/23/55/31/187235531.db2.gz GGRUJISKOBOLCL-QMMMGPOBSA-N 0 3 266.301 0.857 20 5 CCBDHN CN(C)C[C@H](CO)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000601163141 362162398 /nfs/dbraw/zinc/16/23/98/362162398.db2.gz FBHSNCHSXSGGQZ-MRVPVSSYSA-N 0 3 258.253 0.463 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000601163142 362162438 /nfs/dbraw/zinc/16/24/38/362162438.db2.gz FBHSNCHSXSGGQZ-QMMMGPOBSA-N 0 3 258.253 0.463 20 5 CCBDHN CN1C[C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000425057917 529821942 /nfs/dbraw/zinc/82/19/42/529821942.db2.gz NPSNUPKWQMXBCE-CMPLNLGQSA-N 0 3 293.327 0.344 20 5 CCBDHN Cn1cc(CN2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000602452429 362624533 /nfs/dbraw/zinc/62/45/33/362624533.db2.gz IOKGYKNGULALHP-GFCCVEGCSA-N 0 3 279.344 0.998 20 5 CCBDHN COCCN(CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000602823649 362820336 /nfs/dbraw/zinc/82/03/36/362820336.db2.gz YBDYKQPVAZBJTM-GFCCVEGCSA-N 0 3 298.343 0.837 20 5 CCBDHN CCNC(=O)[C@@H](NCCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000339319516 215092983 /nfs/dbraw/zinc/09/29/83/215092983.db2.gz ZLYMZIPWYCBBTM-NSHDSACASA-N 0 3 283.332 0.542 20 5 CCBDHN O=C(NC1CCN(C2CC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000343094849 137114381 /nfs/dbraw/zinc/11/43/81/137114381.db2.gz HJDXPEVGXFHRQU-UHFFFAOYSA-N 0 3 279.300 0.675 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000344049400 137175530 /nfs/dbraw/zinc/17/55/30/137175530.db2.gz KNDRKORFQZLAQX-ZMLRMANQSA-N 0 3 266.301 0.494 20 5 CCBDHN C[C@@H]1C[C@@H](CO)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000344135691 137179468 /nfs/dbraw/zinc/17/94/68/137179468.db2.gz SRPDRYZJGBYPEZ-MNOVXSKESA-N 0 3 268.317 0.884 20 5 CCBDHN O=C(CCN1CC[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000074313760 348984255 /nfs/dbraw/zinc/98/42/55/348984255.db2.gz UKKQRNAJQQGUDS-JTQLQIEISA-N 0 3 279.296 0.990 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)N1C ZINC000339618863 215273832 /nfs/dbraw/zinc/27/38/32/215273832.db2.gz IWRMMFOKFKYQFU-GHMZBOCLSA-N 0 3 267.333 0.816 20 5 CCBDHN CN(C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000120986341 350016958 /nfs/dbraw/zinc/01/69/58/350016958.db2.gz IICQJRKERUOYIZ-UHFFFAOYSA-N 0 3 270.264 0.608 20 5 CCBDHN C[C@H]1C[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000124099943 350089083 /nfs/dbraw/zinc/08/90/83/350089083.db2.gz FYRIOUWBMOACEX-WDEREUQCSA-N 0 3 295.343 0.732 20 5 CCBDHN COC(=O)[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000133712882 350342382 /nfs/dbraw/zinc/34/23/82/350342382.db2.gz ZCAAMHBLXNSFNA-NSHDSACASA-N 0 3 296.327 0.985 20 5 CCBDHN Cc1cc(NC[C@@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC000134266150 350359281 /nfs/dbraw/zinc/35/92/81/350359281.db2.gz GHPKVGSDZPKJJM-VIFPVBQESA-N 0 3 252.274 0.699 20 5 CCBDHN Cc1cc(C(=O)N2CCN(C)C[C@@H]2CN)cc([N+](=O)[O-])c1 ZINC000135244440 350389124 /nfs/dbraw/zinc/38/91/24/350389124.db2.gz WETVOERWGJEZRY-ZDUSSCGKSA-N 0 3 292.339 0.618 20 5 CCBDHN Cn1cncc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000151274505 350498031 /nfs/dbraw/zinc/49/80/31/350498031.db2.gz JJDNLCQEYOTROV-UHFFFAOYSA-N 0 3 250.262 0.315 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CNCCO2)c1 ZINC000157353630 350644068 /nfs/dbraw/zinc/64/40/68/350644068.db2.gz WZMXUKUPVIRHJJ-SNVBAGLBSA-N 0 3 279.296 0.621 20 5 CCBDHN CC(=O)NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174834869 351106544 /nfs/dbraw/zinc/10/65/44/351106544.db2.gz LEJIXALXUBZCKU-LBPRGKRZSA-N 0 3 295.343 0.639 20 5 CCBDHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000193626825 351836848 /nfs/dbraw/zinc/83/68/48/351836848.db2.gz DWNLMXAIYUOICV-JIMOISOXSA-N 0 3 293.323 0.742 20 5 CCBDHN COc1cc(CCNC(=O)[C@@H](C)N)c([N+](=O)[O-])cc1OC ZINC000195139962 351898457 /nfs/dbraw/zinc/89/84/57/351898457.db2.gz BVAHKQQFYWCCGD-MRVPVSSYSA-N 0 3 297.311 0.618 20 5 CCBDHN CS(=O)(=O)NCCCNCc1cccc([N+](=O)[O-])c1 ZINC000220724371 351975030 /nfs/dbraw/zinc/97/50/30/351975030.db2.gz UWGFIYGBHBPGGR-UHFFFAOYSA-N 0 3 287.341 0.624 20 5 CCBDHN Cc1cnccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000228671796 352079836 /nfs/dbraw/zinc/07/98/36/352079836.db2.gz BSXYSLMCMAWRBK-CYBMUJFWSA-N 0 3 291.311 0.645 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CSCCN2)s1 ZINC000603419694 363124193 /nfs/dbraw/zinc/12/41/93/363124193.db2.gz PMZGCSDWQDEJDK-ZCFIWIBFSA-N 0 3 260.344 0.590 20 5 CCBDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000249008452 352472330 /nfs/dbraw/zinc/47/23/30/352472330.db2.gz IGAMJRZDPKYUTK-PTEHBNRSSA-N 0 3 295.339 0.990 20 5 CCBDHN CN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CCCN(C)C1 ZINC000265968117 352674617 /nfs/dbraw/zinc/67/46/17/352674617.db2.gz AAUIUWXKHOXROO-MRVPVSSYSA-N 0 3 266.305 0.497 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]1CN(C)C ZINC000267507829 352770965 /nfs/dbraw/zinc/77/09/65/352770965.db2.gz HYLRDCONCWNUIO-NSHDSACASA-N 0 3 295.343 0.652 20 5 CCBDHN COCCNCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000152224508 188003905 /nfs/dbraw/zinc/00/39/05/188003905.db2.gz KOQNMXBETIEEEM-UHFFFAOYSA-N 0 3 285.275 0.700 20 5 CCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N(C)C ZINC000283565724 353515956 /nfs/dbraw/zinc/51/59/56/353515956.db2.gz VFTFMLFGKGEASM-SSDOTTSWSA-N 0 3 284.291 0.996 20 5 CCBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)C1 ZINC000293920620 353851079 /nfs/dbraw/zinc/85/10/79/353851079.db2.gz ILUKOVVWIJOCTG-CYBMUJFWSA-N 0 3 293.327 0.876 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCCCC1 ZINC000299297756 354006950 /nfs/dbraw/zinc/00/69/50/354006950.db2.gz OTWSTFCZEOEWJR-UHFFFAOYSA-N 0 3 295.343 0.702 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN(C)C1CC1 ZINC000299493252 354021268 /nfs/dbraw/zinc/02/12/68/354021268.db2.gz JAWBXKQXEHNPDC-UHFFFAOYSA-N 0 3 295.343 0.700 20 5 CCBDHN N[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000424146056 235162183 /nfs/dbraw/zinc/16/21/83/235162183.db2.gz OVGPWAKQYNPTKC-DVVUODLYSA-N 0 3 291.311 0.350 20 5 CCBDHN C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCCC[C@H]1C ZINC000339002974 355468977 /nfs/dbraw/zinc/46/89/77/355468977.db2.gz LUGOMAJAPDISMB-NXEZZACHSA-N 0 3 294.359 0.894 20 5 CCBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352636562 356038175 /nfs/dbraw/zinc/03/81/75/356038175.db2.gz KCISLWJWNWVYOM-UHFFFAOYSA-N 0 3 269.305 0.732 20 5 CCBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352591088 356024474 /nfs/dbraw/zinc/02/44/74/356024474.db2.gz SARSLMCCLWQCPN-VIFPVBQESA-N 0 3 297.315 0.159 20 5 CCBDHN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000352954669 356119399 /nfs/dbraw/zinc/11/93/99/356119399.db2.gz FPMIMDKFIPIJSZ-SECBINFHSA-N 0 3 279.300 0.627 20 5 CCBDHN COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000609269387 363486586 /nfs/dbraw/zinc/48/65/86/363486586.db2.gz OTTBPHCWIPERFQ-SNVBAGLBSA-N 0 3 296.327 0.764 20 5 CCBDHN COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000609269387 363486591 /nfs/dbraw/zinc/48/65/91/363486591.db2.gz OTTBPHCWIPERFQ-SNVBAGLBSA-N 0 3 296.327 0.764 20 5 CCBDHN O=C1CC2(CN1)CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000357907678 356773358 /nfs/dbraw/zinc/77/33/58/356773358.db2.gz JMVVGFQTFLHQIK-UHFFFAOYSA-N 0 3 293.327 0.393 20 5 CCBDHN COC[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610604900 363583747 /nfs/dbraw/zinc/58/37/47/363583747.db2.gz DAHNQGNQHJEANK-ZYHUDNBSSA-N 0 3 284.316 0.263 20 5 CCBDHN CO[C@@]1(CO)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000401699113 357803364 /nfs/dbraw/zinc/80/33/64/357803364.db2.gz NDVASTCLJXXDOP-ZDUSSCGKSA-N 0 3 298.343 0.573 20 5 CCBDHN COC1(CO)CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000401749440 357804931 /nfs/dbraw/zinc/80/49/31/357804931.db2.gz MLFFDIADULPSQR-UHFFFAOYSA-N 0 3 298.343 0.573 20 5 CCBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CCN1C ZINC000408055283 357892342 /nfs/dbraw/zinc/89/23/42/357892342.db2.gz SHZYFPMKPCTJCE-ZJUUUORDSA-N 0 3 295.343 0.883 20 5 CCBDHN CN[C@@H](C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000569988714 358812845 /nfs/dbraw/zinc/81/28/45/358812845.db2.gz VEONCNDGKWPAJX-UWVGGRQHSA-N 0 3 293.327 0.611 20 5 CCBDHN CN(C[C@@H]1CCCN1C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000574030971 359020866 /nfs/dbraw/zinc/02/08/66/359020866.db2.gz GXLJFGJNNFRUGD-QMMMGPOBSA-N 0 3 267.289 0.484 20 5 CCBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000574181343 359036337 /nfs/dbraw/zinc/03/63/37/359036337.db2.gz ARCNXULCOLZWLM-CYBMUJFWSA-N 0 3 296.327 0.422 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](CO)CN(C)C)c1 ZINC000589101530 359359144 /nfs/dbraw/zinc/35/91/44/359359144.db2.gz HUISWEGTIYLXQR-JTQLQIEISA-N 0 3 297.311 0.716 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H]2C1 ZINC000590046988 359419409 /nfs/dbraw/zinc/41/94/09/359419409.db2.gz RNJXYXZREOGFTE-PSASIEDQSA-N 0 3 264.285 0.699 20 5 CCBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000590370223 359445278 /nfs/dbraw/zinc/44/52/78/359445278.db2.gz VYTYOMFKRIFICH-MRVPVSSYSA-N 0 3 299.331 0.094 20 5 CCBDHN CN(C)CCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000592349993 359822748 /nfs/dbraw/zinc/82/27/48/359822748.db2.gz HSILXBINQRQLFJ-UHFFFAOYSA-N 0 3 278.268 0.973 20 5 CCBDHN NC1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC1 ZINC000592277462 359810248 /nfs/dbraw/zinc/81/02/48/359810248.db2.gz SXBMLCDOBZDVMJ-UHFFFAOYSA-N 0 3 293.327 0.836 20 5 CCBDHN O=C(Nc1cnc2c(c1)CNCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000592540859 359879195 /nfs/dbraw/zinc/87/91/95/359879195.db2.gz RPGDMKMZANEOFL-UHFFFAOYSA-N 0 3 288.267 0.611 20 5 CCBDHN CN(CCN1CCCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000593883438 360193406 /nfs/dbraw/zinc/19/34/06/360193406.db2.gz NUDVFIFHFOEZPP-UHFFFAOYSA-N 0 3 281.316 0.876 20 5 CCBDHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000594570627 360331569 /nfs/dbraw/zinc/33/15/69/360331569.db2.gz SQUBWZRUHMIHJH-LLVKDONJSA-N 0 3 298.343 0.608 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CN)C(F)(F)F)n1 ZINC000594450777 360314856 /nfs/dbraw/zinc/31/48/56/360314856.db2.gz ACXRJMGQTFPTBQ-ZCFIWIBFSA-N 0 3 295.221 0.431 20 5 CCBDHN O=c1c([N+](=O)[O-])cc(Cl)cn1C[C@H]1CNCCO1 ZINC000594697965 360361436 /nfs/dbraw/zinc/36/14/36/360361436.db2.gz CTMZBHUWZLCJBB-MRVPVSSYSA-N 0 3 273.676 0.398 20 5 CCBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595122094 360440789 /nfs/dbraw/zinc/44/07/89/360440789.db2.gz QWDIYASTVSEGFR-QMMMGPOBSA-N 0 3 273.314 0.481 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)[C@H]1O ZINC000595745330 360637199 /nfs/dbraw/zinc/63/71/99/360637199.db2.gz RFCJNTYMEDOXEF-JULQROHOSA-N 0 3 298.343 0.101 20 5 CCBDHN Nc1ccc(NC[C@@H]2CCCN2CCCO)nc1[N+](=O)[O-] ZINC000596258713 360855461 /nfs/dbraw/zinc/85/54/61/360855461.db2.gz NDHKTBIFPSHPPX-JTQLQIEISA-N 0 3 295.343 0.253 20 5 CCBDHN CN1CC[C@](O)(CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596198021 360829907 /nfs/dbraw/zinc/82/99/07/360829907.db2.gz PAHKWXDBYJRKJB-NSHDSACASA-N 0 3 286.719 0.544 20 5 CCBDHN CNc1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000597652422 361173317 /nfs/dbraw/zinc/17/33/17/361173317.db2.gz BODJEYJGEPOBMS-SNVBAGLBSA-N 0 3 296.327 0.289 20 5 CCBDHN CNCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598716902 361494515 /nfs/dbraw/zinc/49/45/15/361494515.db2.gz VMKDZXLMBIQELU-UHFFFAOYSA-N 0 3 287.341 0.709 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(CC3CC3)C2)c1 ZINC000598705569 361490833 /nfs/dbraw/zinc/49/08/33/361490833.db2.gz KSYORVRPYLEVMR-ZDUSSCGKSA-N 0 3 280.328 0.884 20 5 CCBDHN CN(C)CC(C)(C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598740590 361504941 /nfs/dbraw/zinc/50/49/41/361504941.db2.gz SWMCNAYQYDBQOJ-UHFFFAOYSA-N 0 3 269.305 0.398 20 5 CCBDHN CN1CCC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000564585768 291287797 /nfs/dbraw/zinc/28/77/97/291287797.db2.gz NJPMREDDYFFADJ-SECBINFHSA-N 0 3 293.327 0.474 20 5 CCBDHN COCCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000302149518 201367474 /nfs/dbraw/zinc/36/74/74/201367474.db2.gz JOXXKSRMTCTJIZ-SNVBAGLBSA-N 0 3 281.316 0.908 20 5 CCBDHN CC1(C)[C@H](O)C[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000566424954 291403778 /nfs/dbraw/zinc/40/37/78/291403778.db2.gz STIXUPNEVSPBSR-GHMZBOCLSA-N 0 3 281.312 0.506 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000568647995 291612067 /nfs/dbraw/zinc/61/20/67/291612067.db2.gz ZRWLMPVCXLSHBQ-WDEREUQCSA-N 0 3 290.323 0.651 20 5 CCBDHN C[C@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193402836 300001313 /nfs/dbraw/zinc/00/13/13/300001313.db2.gz OCFNVJUYZSIZIN-UWVGGRQHSA-N 0 3 299.352 0.871 20 5 CCBDHN O=C1C[C@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)CN1 ZINC000278980250 194239649 /nfs/dbraw/zinc/23/96/49/194239649.db2.gz YZGADIBMMAPJQU-GFCCVEGCSA-N 0 3 279.300 0.003 20 5 CCBDHN C[C@@H](O)CN(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000289382603 197320879 /nfs/dbraw/zinc/32/08/79/197320879.db2.gz CKZASEJXFPESGK-LLVKDONJSA-N 0 3 284.312 0.649 20 5 CCBDHN CNc1nc(C(=O)NC[C@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000454924150 533077822 /nfs/dbraw/zinc/07/78/22/533077822.db2.gz KVNMCYVJBZYOJJ-SECBINFHSA-N 0 3 293.327 0.713 20 5 CCBDHN COC(=O)CC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000288584753 197119446 /nfs/dbraw/zinc/11/94/46/197119446.db2.gz IWPSIRFEFFDIOZ-LLVKDONJSA-N 0 3 295.295 0.492 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN(C)C)c1F ZINC000411162356 533217492 /nfs/dbraw/zinc/21/74/92/533217492.db2.gz LYHVTLYMRZNTTH-UHFFFAOYSA-N 0 3 299.302 0.963 20 5 CCBDHN CCN(CCO)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000185468830 388805070 /nfs/dbraw/zinc/80/50/70/388805070.db2.gz WCAKNTRYVFTEAZ-UHFFFAOYSA-N 0 3 297.315 0.426 20 5 CCBDHN CCN(CCO)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000183926573 388764299 /nfs/dbraw/zinc/76/42/99/388764299.db2.gz YFTVJHKTZUPTGG-UHFFFAOYSA-N 0 3 295.339 0.947 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCNCC1 ZINC000036983831 388845052 /nfs/dbraw/zinc/84/50/52/388845052.db2.gz XETOYIGFPRIQST-UHFFFAOYSA-N 0 3 299.352 0.887 20 5 CCBDHN C[C@H]1[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCCN1C ZINC000343597367 389267945 /nfs/dbraw/zinc/26/79/45/389267945.db2.gz HKVMXKIKJSVVSM-UWVGGRQHSA-N 0 3 290.327 0.954 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CN1C ZINC000351943095 389721295 /nfs/dbraw/zinc/72/12/95/389721295.db2.gz DOLACCZRFHDOMI-RYUDHWBXSA-N 0 3 294.355 0.781 20 5 CCBDHN C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C)CN1 ZINC000415382178 389679514 /nfs/dbraw/zinc/67/95/14/389679514.db2.gz KARHEDYPDZYKLF-RKDXNWHRSA-N 0 3 279.300 0.626 20 5 CCBDHN CN(C)CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000352125494 389758040 /nfs/dbraw/zinc/75/80/40/389758040.db2.gz IBXULXMAHUOFHB-UHFFFAOYSA-N 0 3 267.289 0.484 20 5 CCBDHN CCCCN(C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000352378231 389800901 /nfs/dbraw/zinc/80/09/01/389800901.db2.gz LUTIOWQNSMBTJC-UHFFFAOYSA-N 0 3 284.320 0.034 20 5 CCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCCN1CCCC1 ZINC000193800462 269741311 /nfs/dbraw/zinc/74/13/11/269741311.db2.gz JQKJLZPVOKIEAU-UHFFFAOYSA-N 0 3 267.289 0.003 20 5 CCBDHN COCCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCO[C@H]1C ZINC000489438564 390100246 /nfs/dbraw/zinc/10/02/46/390100246.db2.gz XMXQLISPROLXAG-WCQYABFASA-N 0 3 298.343 0.917 20 5 CCBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000546719559 390358325 /nfs/dbraw/zinc/35/83/25/390358325.db2.gz KVIZJVWEXRCGSS-UHFFFAOYSA-N 0 3 282.300 0.034 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000237615464 131046984 /nfs/dbraw/zinc/04/69/84/131046984.db2.gz GCOGLQFFLGMQPN-DTWKUNHWSA-N 0 3 267.289 0.000 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000237653185 131051399 /nfs/dbraw/zinc/05/13/99/131051399.db2.gz UIWACULYUZCSQI-NKWVEPMBSA-N 0 3 253.262 0.140 20 5 CCBDHN CN(C)CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000356883699 144040496 /nfs/dbraw/zinc/04/04/96/144040496.db2.gz RAUYPPNTPSBDSK-UHFFFAOYSA-N 0 3 295.343 0.734 20 5 CCBDHN O=C(NCC[N@H+]1CC=CCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000357638350 144106974 /nfs/dbraw/zinc/10/69/74/144106974.db2.gz UXPNKHLFVBQVBS-UHFFFAOYSA-N 0 3 264.285 0.915 20 5 CCBDHN O=C(NCC[N@@H+]1CC=CCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000357638350 144106977 /nfs/dbraw/zinc/10/69/77/144106977.db2.gz UXPNKHLFVBQVBS-UHFFFAOYSA-N 0 3 264.285 0.915 20 5 CCBDHN C[C@@H]1CN(C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000357934485 144135159 /nfs/dbraw/zinc/13/51/59/144135159.db2.gz WIOXTNCBQGCFNY-SNVBAGLBSA-N 0 3 253.306 0.427 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000358056593 144146701 /nfs/dbraw/zinc/14/67/01/144146701.db2.gz ARMCAQKQMDZUKC-CYBMUJFWSA-N 0 3 279.296 0.391 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CN1C1CC1 ZINC000548420447 286034781 /nfs/dbraw/zinc/03/47/81/286034781.db2.gz MUPPQUAXSLYCJS-HTQZYQBOSA-N 0 3 279.300 0.673 20 5 CCBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000548420019 286034823 /nfs/dbraw/zinc/03/48/23/286034823.db2.gz ZIXLCPUVTAUNQK-SECBINFHSA-N 0 3 279.300 0.628 20 5 CCBDHN CCN1CCCC[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548942082 286080994 /nfs/dbraw/zinc/08/09/94/286080994.db2.gz WLNABJBZYRIVKZ-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1CO ZINC000049751532 411676131 /nfs/dbraw/zinc/67/61/31/411676131.db2.gz CZZMGOQZHFJMGH-LLVKDONJSA-N 0 3 268.317 0.947 20 5 CCBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@@H]2C1 ZINC000284860533 196146153 /nfs/dbraw/zinc/14/61/53/196146153.db2.gz FHLBMVTZQPSQCF-PSASIEDQSA-N 0 3 279.300 0.484 20 5 CCBDHN O=C(NC1CCN(C2CC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285283124 196240266 /nfs/dbraw/zinc/24/02/66/196240266.db2.gz BZCQAIWTQRWRQZ-UHFFFAOYSA-N 0 3 279.300 0.675 20 5 CCBDHN CO[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000285292053 196242511 /nfs/dbraw/zinc/24/25/11/196242511.db2.gz GMKSEKOSDBQKSU-TXEJJXNPSA-N 0 3 281.312 0.866 20 5 CCBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000354599572 274187519 /nfs/dbraw/zinc/18/75/19/274187519.db2.gz SAXWXQLGAZNDHQ-UWVGGRQHSA-N 0 3 283.357 0.867 20 5 CCBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000514679083 280561775 /nfs/dbraw/zinc/56/17/75/280561775.db2.gz WPXCTNARUINAJW-VXGBXAGGSA-N 0 3 290.323 0.651 20 5 CCBDHN COCCN(C)C[C@@H](O)Cn1nc([N+](=O)[O-])cc1C ZINC000388730675 328072821 /nfs/dbraw/zinc/07/28/21/328072821.db2.gz KCIWEXOTFSZIIL-SNVBAGLBSA-N 0 3 272.305 0.039 20 5 CCBDHN C[C@@H]1CCC[C@@H](CO)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305234895 533756214 /nfs/dbraw/zinc/75/62/14/533756214.db2.gz NEIXVOZHUHCYGZ-MDZLAQPJSA-N 0 3 298.343 0.388 20 5 CCBDHN O=C(NC[C@H]1CCCN1CCCO)c1cc([N+](=O)[O-])c[nH]1 ZINC000452784888 534641122 /nfs/dbraw/zinc/64/11/22/534641122.db2.gz QROVMGZEEWRTOK-SNVBAGLBSA-N 0 3 296.327 0.500 20 5 CCBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])o1 ZINC000449657654 534813754 /nfs/dbraw/zinc/81/37/54/534813754.db2.gz QEDUTGLXJFPATL-ZETCQYMHSA-N 0 3 275.211 0.915 20 5 CCBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H](F)CN1 ZINC000368193206 526978396 /nfs/dbraw/zinc/97/83/96/526978396.db2.gz KNHVJFNCJBSCFX-UWVGGRQHSA-N 0 3 297.286 0.790 20 5 CCBDHN O=[N+]([O-])c1ccn(C2CCN(CCCO)CC2)n1 ZINC000365821724 527406858 /nfs/dbraw/zinc/40/68/58/527406858.db2.gz RAVQCRKRWDAPIT-UHFFFAOYSA-N 0 3 254.290 0.811 20 5 CCBDHN CC(C)[C@H](CN(C)C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000766981562 581591549 /nfs/dbraw/zinc/59/15/49/581591549.db2.gz ZVPRZZMRHLGPBG-VIFPVBQESA-N 0 3 283.332 0.644 20 5 CCBDHN Cc1nn(C)c(C(=O)NOC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000773552150 581890014 /nfs/dbraw/zinc/89/00/14/581890014.db2.gz VZOCWCFFXVTLLN-UHFFFAOYSA-N 0 3 297.315 0.392 20 5 CCBDHN C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCCCC1 ZINC000772909382 581897891 /nfs/dbraw/zinc/89/78/91/581897891.db2.gz IXPIIEVGYALBRT-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])N1CCCC1=O ZINC000813115092 614194388 /nfs/dbraw/zinc/19/43/88/614194388.db2.gz KLSVNJJFTKDIMV-MWLCHTKSSA-N 0 3 272.301 0.842 20 5 CCBDHN CC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])C1CCCC1 ZINC000813104729 614095637 /nfs/dbraw/zinc/09/56/37/614095637.db2.gz QUWJTOXHKHFTOI-KWQFWETISA-N 0 3 272.301 0.890 20 5 CCBDHN CC(=O)N[C@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777407 614114529 /nfs/dbraw/zinc/11/45/29/614114529.db2.gz PHMVYQUAZDDOMP-WCBMZHEXSA-N 0 3 260.290 0.746 20 5 CCBDHN CN(CCO)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000925004548 616104268 /nfs/dbraw/zinc/10/42/68/616104268.db2.gz IHKVBYHLQYMDBU-UHFFFAOYSA-N 0 3 299.302 0.317 20 5 CCBDHN CNc1nccc(C(=O)NOCCN(C)C)c1[N+](=O)[O-] ZINC000848160883 616277202 /nfs/dbraw/zinc/27/72/02/616277202.db2.gz ZPFYXUVBPPKJOY-UHFFFAOYSA-N 0 3 283.288 0.255 20 5 CCBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000923304892 616307456 /nfs/dbraw/zinc/30/74/56/616307456.db2.gz ZRCBKXVWNRWCSM-WDEREUQCSA-N 0 3 293.327 0.486 20 5 CCBDHN CN1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000818994325 616448047 /nfs/dbraw/zinc/44/80/47/616448047.db2.gz FFACKJGSSLBOIY-ZYHUDNBSSA-N 0 3 279.296 0.449 20 5 CCBDHN COCC(COC)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819350758 616734905 /nfs/dbraw/zinc/73/49/05/616734905.db2.gz UJZKEQWZBHZCCR-CYBMUJFWSA-N 0 3 284.312 0.879 20 5 CCBDHN COCCn1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813111786 616742952 /nfs/dbraw/zinc/74/29/52/616742952.db2.gz XJFFUAYZEWKXAO-MRVPVSSYSA-N 0 3 257.246 0.352 20 5 CCBDHN CNC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813110199 616905895 /nfs/dbraw/zinc/90/58/95/616905895.db2.gz URCHUAPZDPTLRH-SSDOTTSWSA-N 0 3 267.241 0.263 20 5 CCBDHN O=[N+]([O-])c1ccnn1CN1CCN(CC2CC2)CC1 ZINC000124219888 625670177 /nfs/dbraw/zinc/67/01/77/625670177.db2.gz WBLOANXZCWSHGL-UHFFFAOYSA-N 0 3 265.317 0.776 20 5 CCBDHN CC(COC(=O)c1nnc2ccccc2n1)[N+](=O)[O-] ZINC000813102034 624647624 /nfs/dbraw/zinc/64/76/24/624647624.db2.gz ABOJVQXOANNLKG-SSDOTTSWSA-N 0 3 262.225 0.847 20 5 CCBDHN C[NH2+][C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000261681454 624801241 /nfs/dbraw/zinc/80/12/41/624801241.db2.gz HOWAYPYVGVFXPG-LURJTMIESA-N 0 3 279.343 0.543 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000928448611 631855799 /nfs/dbraw/zinc/85/57/99/631855799.db2.gz OPWQMYIWYRRVNJ-KOLCDFICSA-N 0 3 295.343 0.735 20 5 CCBDHN O=[N+]([O-])c1cnn(CN2CC[C@H](N3CC=CC3)C2)c1 ZINC000172931103 637197708 /nfs/dbraw/zinc/19/77/08/637197708.db2.gz YXBJYMJGIXYKBW-NSHDSACASA-N 0 3 263.301 0.695 20 5 CCBDHN O=[N+]([O-])c1cnn(CN2CC[C@@H](N3CC=CC3)C2)c1 ZINC000172931111 637198405 /nfs/dbraw/zinc/19/84/05/637198405.db2.gz YXBJYMJGIXYKBW-LLVKDONJSA-N 0 3 263.301 0.695 20 5 CCBDHN CC(COC(=O)c1csc(S(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813106906 641023094 /nfs/dbraw/zinc/02/30/94/641023094.db2.gz HTPANTKTFVKOIL-LURJTMIESA-N 0 3 293.322 0.974 20 5 CCBDHN Cc1cc(F)cc(C(=O)NC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC000818612649 641342200 /nfs/dbraw/zinc/34/22/00/641342200.db2.gz VVPHPMPGAOGKLX-JTQLQIEISA-N 0 3 297.286 0.761 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](CO)CN(C)C ZINC000822933558 641716725 /nfs/dbraw/zinc/71/67/25/641716725.db2.gz JZYINSMHCGQRIU-LLVKDONJSA-N 0 3 295.339 0.864 20 5 CCBDHN Cc1ccc(CNC(=O)C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000870961712 646063099 /nfs/dbraw/zinc/06/30/99/646063099.db2.gz DZZCHRGNCYYHDJ-LBPRGKRZSA-N 0 3 293.323 0.898 20 5 CCBDHN Cn1cc(CN[C@@H](CCO)C2CC2)c([N+](=O)[O-])n1 ZINC000878421107 646907421 /nfs/dbraw/zinc/90/74/21/646907421.db2.gz XPSMPQZGGUGKRS-JTQLQIEISA-N 0 3 254.290 0.579 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CCC(C)(C)C2)n1 ZINC000890075795 648273157 /nfs/dbraw/zinc/27/31/57/648273157.db2.gz ODJBECPJLBCOTR-UHFFFAOYSA-N 0 3 295.343 0.790 20 5 CCBDHN C[C@@H]1COCCN1C1CCN(CC[N+](=O)[O-])CC1 ZINC000930529630 648872729 /nfs/dbraw/zinc/87/27/29/648872729.db2.gz ZGXYRZWBNSYGBT-LLVKDONJSA-N 0 3 257.334 0.448 20 5 CCBDHN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccnc1 ZINC001266273467 790376995 /nfs/dbraw/zinc/37/69/95/790376995.db2.gz SERLELVYUCERRW-VXGBXAGGSA-N 0 3 278.312 0.295 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001149955890 800308838 /nfs/dbraw/zinc/30/88/38/800308838.db2.gz CGDGJOZJEGCNBK-LURJTMIESA-N 0 3 287.707 0.795 20 5 CCBDHN COc1nc(-n2ccc([C@H](C)N)n2)nc(OC)c1[N+](=O)[O-] ZINC001158349530 801623537 /nfs/dbraw/zinc/62/35/37/801623537.db2.gz SFLMOCVVNQKBNN-LURJTMIESA-N 0 3 294.271 0.607 20 5 CCBDHN Cc1ncc([N+](=O)[O-])c(N[C@H](C)[C@H]2CNCCO2)n1 ZINC001159495109 801821007 /nfs/dbraw/zinc/82/10/07/801821007.db2.gz CVSQMXFKWKPURL-GMSGAONNSA-N 0 3 267.289 0.482 20 5 CCBDHN O=[N+]([O-])c1cnc(NCc2nnn3c2CNCCC3)cn1 ZINC001162976843 802446638 /nfs/dbraw/zinc/44/66/38/802446638.db2.gz CDVOTGSHOVAJPH-UHFFFAOYSA-N 0 3 290.287 0.082 20 5 CCBDHN O=C1C[C@H]2[NH2+]CC[C@@]2([N-]c2nc(Cl)ccc2[N+](=O)[O-])N1 ZINC001163251203 802518600 /nfs/dbraw/zinc/51/86/00/802518600.db2.gz QKVMKKLOOLUKOX-HQJQHLMTSA-N 0 3 297.702 0.633 20 5 CCBDHN COc1cc(N2CC(N(C)C)C2)ncc1[N+](=O)[O-] ZINC001163933984 802635403 /nfs/dbraw/zinc/63/54/03/802635403.db2.gz VGZLXDCWKGZVAT-UHFFFAOYSA-N 0 3 252.274 0.749 20 5 CCBDHN COc1cnc(-n2ncc3c2CCNC3)c([N+](=O)[O-])c1 ZINC001165219454 802798329 /nfs/dbraw/zinc/79/83/29/802798329.db2.gz SFBZZDYGGRWNFO-UHFFFAOYSA-N 0 3 275.268 0.830 20 5 CCBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C)C[C@H](O)CO ZINC001254560641 808260082 /nfs/dbraw/zinc/26/00/82/808260082.db2.gz GQMCSQZRNTXDAG-JQWIXIFHSA-N 0 3 268.313 0.811 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H](O)[C@@H](CO)C1)C2 ZINC001254595764 808264904 /nfs/dbraw/zinc/26/49/04/808264904.db2.gz ZMLJTTOIWDQOEE-BPLDGKMQSA-N 0 3 292.335 0.737 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700628030 818822519 /nfs/dbraw/zinc/82/25/19/818822519.db2.gz YQESLWMAVSLDJU-VIFPVBQESA-N 0 3 299.714 0.966 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2Cc3ccnn3CC[C@H]2CO)C1 ZINC001169047897 836117259 /nfs/dbraw/zinc/11/72/59/836117259.db2.gz SKSADOMIWWSBNP-BZPMIXESSA-N 0 3 294.355 0.895 20 5 CCBDHN C[C@H](N)c1ccn(-c2c(F)c([N+](=O)[O-])cc[n+]2[O-])n1 ZINC001169229348 836165616 /nfs/dbraw/zinc/16/56/16/836165616.db2.gz WITLSUUSFUGPJV-LURJTMIESA-N 0 3 267.220 0.573 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])ncc1-n1ccc([C@H](C)N)n1 ZINC001169234904 836168375 /nfs/dbraw/zinc/16/83/75/836168375.db2.gz MVBJYSXTNQWYBJ-ZETCQYMHSA-N 0 3 291.267 0.982 20 5 CCBDHN NCc1cnnn1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001169310253 836210941 /nfs/dbraw/zinc/21/09/41/836210941.db2.gz RWEDDJJMLWCAIG-UHFFFAOYSA-N 0 3 254.637 0.683 20 5 CCBDHN COCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112836099 836936460 /nfs/dbraw/zinc/93/64/60/836936460.db2.gz ZQSJMVDVOLPXHD-VXGBXAGGSA-N 0 3 285.344 0.222 20 5 CCBDHN COc1ccc(C[C@H](C)NCC(N)=O)c([N+](=O)[O-])c1 ZINC001170294604 837286752 /nfs/dbraw/zinc/28/67/52/837286752.db2.gz BTMLSWDOTICFOT-QMMMGPOBSA-N 0 3 267.285 0.609 20 5 CCBDHN C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CNCCO1 ZINC001170558173 838068208 /nfs/dbraw/zinc/06/82/08/838068208.db2.gz MMHLLCBJMIVXBZ-CBAPKCEASA-N 0 3 253.262 0.174 20 5 CCBDHN C[C@H](Nc1cccnc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170566872 838128500 /nfs/dbraw/zinc/12/85/00/838128500.db2.gz HXWRHOHWBZGQTB-WPRPVWTQSA-N 0 3 252.274 0.779 20 5 CCBDHN COc1ncc(/C=C\C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813102651 838676940 /nfs/dbraw/zinc/67/69/40/838676940.db2.gz IEEYOBKRWISSNR-TUUFMJSCSA-N 0 3 267.241 0.707 20 5 CCBDHN COc1cnc(N[C@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001159501497 839336347 /nfs/dbraw/zinc/33/63/47/839336347.db2.gz ZKSXYUQEXUWDRE-LDYMZIIASA-N 0 3 282.300 0.787 20 5 CCBDHN CN(CCO)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001187593105 844737600 /nfs/dbraw/zinc/73/76/00/844737600.db2.gz CCQMGQMJUGZMCI-UHFFFAOYSA-N 0 3 291.311 0.874 20 5 CCBDHN C[C@@H](O)[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000717285981 848217641 /nfs/dbraw/zinc/21/76/41/848217641.db2.gz ADRCDAZXSSDTLQ-YGOYTEALSA-N 0 3 254.286 0.987 20 5 CCBDHN Cc1c(CNC[C@@H](O)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000717296931 848222466 /nfs/dbraw/zinc/22/24/66/848222466.db2.gz YONBGXZKHLZWRY-BXKDBHETSA-N 0 3 254.286 0.735 20 5 CCBDHN CN(C)CCONC(=O)c1ccc([N+](=O)[O-])n1C ZINC001118765271 856431673 /nfs/dbraw/zinc/43/16/73/856431673.db2.gz XPRMXXDLEXDPBP-UHFFFAOYSA-N 0 3 256.262 0.156 20 5 CCBDHN C[NH+](C)CC1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001327714192 914724149 /nfs/dbraw/zinc/72/41/49/914724149.db2.gz KCWLXNWSDNGUJC-UHFFFAOYSA-N 0 3 252.274 0.693 20 5 CCBDHN Cc1cc(NCCN(C)CCOCCO)ncc1[N+](=O)[O-] ZINC001307194712 908293214 /nfs/dbraw/zinc/29/32/14/908293214.db2.gz IAYWFDQULXBIBZ-UHFFFAOYSA-N 0 3 298.343 0.651 20 5 CCBDHN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC001328847230 915472480 /nfs/dbraw/zinc/47/24/80/915472480.db2.gz BDWMJAQYZPKTRZ-SGMGOOAPSA-N 0 3 296.323 0.161 20 5 CCBDHN Cc1nc(N2CCN(C)CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001334332237 919504360 /nfs/dbraw/zinc/50/43/60/919504360.db2.gz JTQOHZBJNABQON-UHFFFAOYSA-N 0 3 294.359 0.377 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@H](C)NC[C@H]1C ZINC001341748787 922654564 /nfs/dbraw/zinc/65/45/64/922654564.db2.gz UEVGRPFIMBQILS-DTWKUNHWSA-N 0 3 281.316 0.309 20 5 CCBDHN CC(C)(COC(=O)C1CCCN(C2CC2)C1=O)[N+](=O)[O-] ZINC001344133638 923558954 /nfs/dbraw/zinc/55/89/54/923558954.db2.gz ABCRSPQICZBKCI-JTQLQIEISA-N 0 3 284.312 0.986 20 5 CCBDHN O=C(O[C@H]1C[C@@H](N2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001345983740 924033549 /nfs/dbraw/zinc/03/35/49/924033549.db2.gz GEGKZYKWZHIUFC-LMLFDSFASA-N 0 3 270.285 0.058 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1CO ZINC000090520124 349439055 /nfs/dbraw/zinc/43/90/55/349439055.db2.gz PBWVDKCXXKMTNE-LLVKDONJSA-N 0 3 267.285 0.213 20 5 CCBDHN CCN(CCN)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000599887898 361824821 /nfs/dbraw/zinc/82/48/21/361824821.db2.gz NUBDSVNILDTVRH-UHFFFAOYSA-N 0 3 294.311 0.649 20 5 CCBDHN [NH3+]Cc1cc(=O)[n-]c(CNCc2csc([N+](=O)[O-])c2)n1 ZINC000600774449 362059312 /nfs/dbraw/zinc/05/93/12/362059312.db2.gz KMXFZROJZDBWSD-UHFFFAOYSA-N 0 3 295.324 0.900 20 5 CCBDHN NC(=O)c1cc(N2CC(N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000601193963 362171949 /nfs/dbraw/zinc/17/19/49/362171949.db2.gz SULVDUQKROGVAO-UHFFFAOYSA-N 0 3 290.323 0.978 20 5 CCBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@@H]2C1 ZINC000425067501 529822733 /nfs/dbraw/zinc/82/27/33/529822733.db2.gz RKEBKGBCTVBERW-WCBMZHEXSA-N 0 3 279.300 0.484 20 5 CCBDHN C[C@@H](CN1CCCCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000161893623 290737527 /nfs/dbraw/zinc/73/75/27/290737527.db2.gz JNQMBARLURYTFK-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN CN(CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128257110 187359770 /nfs/dbraw/zinc/35/97/70/187359770.db2.gz XDAOKGCGLHHSJI-UHFFFAOYSA-N 0 3 285.275 0.987 20 5 CCBDHN CNC(=O)[C@@]1(C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602826149 362822052 /nfs/dbraw/zinc/82/20/52/362822052.db2.gz MQAPPMOCZMVGGL-ZDUSSCGKSA-N 0 3 295.343 0.558 20 5 CCBDHN COC(=O)[C@@](C)(O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000343939973 137168802 /nfs/dbraw/zinc/16/88/02/137168802.db2.gz MVIGLGOUKPKGQD-AWEZNQCLSA-N 0 3 296.323 0.993 20 5 CCBDHN C[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040835654 348245426 /nfs/dbraw/zinc/24/54/26/348245426.db2.gz GKGHGVBGUNVVPJ-SNVBAGLBSA-N 0 3 278.312 0.591 20 5 CCBDHN C[C@]1(CO)C[C@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000602906296 362878591 /nfs/dbraw/zinc/87/85/91/362878591.db2.gz IUBANDBPRHJSGX-UONOGXRCSA-N 0 3 280.324 0.955 20 5 CCBDHN COC(=O)[C@@]1(C)CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000602930955 362892697 /nfs/dbraw/zinc/89/26/97/362892697.db2.gz JFTIEDBZDXNQLB-GWCFXTLKSA-N 0 3 296.327 0.922 20 5 CCBDHN C[C@H](O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963689 362911425 /nfs/dbraw/zinc/91/14/25/362911425.db2.gz YLZSLFJEDNIABX-JOYOIKCWSA-N 0 3 254.286 0.773 20 5 CCBDHN Cc1n[nH]c(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000347928184 137364456 /nfs/dbraw/zinc/36/44/56/137364456.db2.gz UZQKHPWVASCXTP-JTQLQIEISA-N 0 3 293.327 0.935 20 5 CCBDHN Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000347928184 137364457 /nfs/dbraw/zinc/36/44/57/137364457.db2.gz UZQKHPWVASCXTP-JTQLQIEISA-N 0 3 293.327 0.935 20 5 CCBDHN C[C@@H](O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075738026 349049743 /nfs/dbraw/zinc/04/97/43/349049743.db2.gz FUODQTAEOTWEPM-MFKMUULPSA-N 0 3 298.343 0.245 20 5 CCBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)CN1 ZINC000086467730 349339836 /nfs/dbraw/zinc/33/98/36/349339836.db2.gz DBBYYYIPDXXTQE-HTQZYQBOSA-N 0 3 252.274 0.745 20 5 CCBDHN CCCN(CCN(C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000104531144 186008713 /nfs/dbraw/zinc/00/87/13/186008713.db2.gz GEDJIVMWCLVKFG-UHFFFAOYSA-N 0 3 283.332 0.592 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC000134256181 350358090 /nfs/dbraw/zinc/35/80/90/350358090.db2.gz KHROMPMZUPICIL-VIFPVBQESA-N 0 3 265.269 0.313 20 5 CCBDHN Cc1cc(C(=O)N2CCN(C)C[C@H]2CN)cc([N+](=O)[O-])c1 ZINC000135244468 350389063 /nfs/dbraw/zinc/38/90/63/350389063.db2.gz WETVOERWGJEZRY-CYBMUJFWSA-N 0 3 292.339 0.618 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@@H]3C[C@]3(O)C2)c1 ZINC000603086735 362954931 /nfs/dbraw/zinc/95/49/31/362954931.db2.gz IQAQDDGKOVYPQF-SUHUHFCYSA-N 0 3 294.307 0.401 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000139757774 350448658 /nfs/dbraw/zinc/44/86/58/350448658.db2.gz VWXULMYQOMOTIR-QMMMGPOBSA-N 0 3 252.274 0.747 20 5 CCBDHN O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3CNCCO3)nc2c1 ZINC000147227130 350468027 /nfs/dbraw/zinc/46/80/27/350468027.db2.gz IDSPBONVQCKETJ-SECBINFHSA-N 0 3 277.284 0.871 20 5 CCBDHN CN(C)C[C@H]1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000540124514 290907116 /nfs/dbraw/zinc/90/71/16/290907116.db2.gz BSRXGJRUMKFSFM-SNVBAGLBSA-N 0 3 295.343 0.885 20 5 CCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CNCCO1 ZINC000157352854 350643221 /nfs/dbraw/zinc/64/32/21/350643221.db2.gz YHXKTHDPSMFLSA-LBPRGKRZSA-N 0 3 279.296 0.242 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](O)[C@H](C)C1 ZINC000167199199 350807167 /nfs/dbraw/zinc/80/71/67/350807167.db2.gz MOIKYOWZQORGOB-MWLCHTKSSA-N 0 3 268.317 0.802 20 5 CCBDHN CO[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174844671 351106552 /nfs/dbraw/zinc/10/65/52/351106552.db2.gz IVTZLPLANSBTRC-LLVKDONJSA-N 0 3 254.290 0.902 20 5 CCBDHN COC(=O)[C@@H](C)CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176244694 351164185 /nfs/dbraw/zinc/16/41/85/351164185.db2.gz IELNSYXZFQWIPM-VIFPVBQESA-N 0 3 270.289 0.532 20 5 CCBDHN CC[C@@]1(CO)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000189608134 351692053 /nfs/dbraw/zinc/69/20/53/351692053.db2.gz DQTKDYNNRBODKM-AWEZNQCLSA-N 0 3 295.339 0.993 20 5 CCBDHN CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000230685747 352117859 /nfs/dbraw/zinc/11/78/59/352117859.db2.gz VVBGAASHRRVLCG-MRVPVSSYSA-N 0 3 279.300 0.254 20 5 CCBDHN CC[C@@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237049287 352238928 /nfs/dbraw/zinc/23/89/28/352238928.db2.gz CKAAQNDAZXLRRL-SNVBAGLBSA-N 0 3 251.286 0.991 20 5 CCBDHN CCCc1n[nH]c(C(=O)N2CCCNCC2)c1[N+](=O)[O-] ZINC000236883915 352224324 /nfs/dbraw/zinc/22/43/24/352224324.db2.gz MLYVATFMDQCTOO-UHFFFAOYSA-N 0 3 281.316 0.706 20 5 CCBDHN CCCc1[nH]nc(C(=O)N2CCCNCC2)c1[N+](=O)[O-] ZINC000236883915 352224329 /nfs/dbraw/zinc/22/43/29/352224329.db2.gz MLYVATFMDQCTOO-UHFFFAOYSA-N 0 3 281.316 0.706 20 5 CCBDHN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@H](C)CN1 ZINC000237466705 352266712 /nfs/dbraw/zinc/26/67/12/352266712.db2.gz QIMXPRQDMDCMET-HTQZYQBOSA-N 0 3 267.289 0.151 20 5 CCBDHN COCCNCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237186352 352250567 /nfs/dbraw/zinc/25/05/67/352250567.db2.gz VHEHNDWIMTZQSF-UHFFFAOYSA-N 0 3 281.312 0.490 20 5 CCBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247037764 352395498 /nfs/dbraw/zinc/39/54/98/352395498.db2.gz HYJQRHUNPSNUSR-CMPLNLGQSA-N 0 3 295.343 0.636 20 5 CCBDHN O=C(NCCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000265651052 352652966 /nfs/dbraw/zinc/65/29/66/352652966.db2.gz ZBNMCAQIMJAIHU-UHFFFAOYSA-N 0 3 296.327 0.500 20 5 CCBDHN CN(C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157330331 188310584 /nfs/dbraw/zinc/31/05/84/188310584.db2.gz QLXCIMLTIORVDC-SECBINFHSA-N 0 3 278.312 0.953 20 5 CCBDHN CN1CC=C(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290982998 353761374 /nfs/dbraw/zinc/76/13/74/353761374.db2.gz RVXRTESVVZXKCX-UHFFFAOYSA-N 0 3 291.311 0.763 20 5 CCBDHN COCCN(C)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000295556839 353903462 /nfs/dbraw/zinc/90/34/62/353903462.db2.gz PXUDFQGRIBGPIS-UHFFFAOYSA-N 0 3 269.305 0.683 20 5 CCBDHN CN(CCN1CCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000301217151 354072982 /nfs/dbraw/zinc/07/29/82/354072982.db2.gz ZOYOXWWRGCOQRH-UHFFFAOYSA-N 0 3 266.305 0.499 20 5 CCBDHN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000320823892 354227590 /nfs/dbraw/zinc/22/75/90/354227590.db2.gz JMAFQQXSXNJQFS-RKDXNWHRSA-N 0 3 287.341 0.999 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(C2)CCOCC3)c1 ZINC000353024587 356140731 /nfs/dbraw/zinc/14/07/31/356140731.db2.gz IVSIXOZGTKISSG-LBPRGKRZSA-N 0 3 296.327 0.265 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(N)CC1 ZINC000353443537 356224197 /nfs/dbraw/zinc/22/41/97/356224197.db2.gz TWWCERHPPQHJTM-UHFFFAOYSA-N 0 3 265.269 0.711 20 5 CCBDHN CC[C@@H](CN1CCCC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000609833220 363518806 /nfs/dbraw/zinc/51/88/06/363518806.db2.gz CBQHCCYXPPBOIE-JTQLQIEISA-N 0 3 296.331 0.177 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(N)=O)CC1 ZINC000610660790 363591311 /nfs/dbraw/zinc/59/13/11/363591311.db2.gz SMDNTEZZZXMDEA-UHFFFAOYSA-N 0 3 281.316 0.297 20 5 CCBDHN CO[C@@H]1CCC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000451631472 236173617 /nfs/dbraw/zinc/17/36/17/236173617.db2.gz LNGSRZDYODRZBG-VXGBXAGGSA-N 0 3 281.312 0.914 20 5 CCBDHN N[C@H]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569823778 358796622 /nfs/dbraw/zinc/79/66/22/358796622.db2.gz AIOAXQJDLJHVFD-STQMWFEESA-N 0 3 290.323 0.339 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000590447467 359469829 /nfs/dbraw/zinc/46/98/29/359469829.db2.gz XRCCLAMYATUAJL-CBAPKCEASA-N 0 3 265.273 0.094 20 5 CCBDHN [NH3+]C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000592374402 359828000 /nfs/dbraw/zinc/82/80/00/359828000.db2.gz FDJHMTYBMVEXOZ-UHFFFAOYSA-N 0 3 286.313 0.150 20 5 CCBDHN COCC1(N(C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000611179295 363673784 /nfs/dbraw/zinc/67/37/84/363673784.db2.gz XGLSYLZHXQMANG-UHFFFAOYSA-N 0 3 254.290 0.902 20 5 CCBDHN Cn1nnnc1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503297 360323572 /nfs/dbraw/zinc/32/35/72/360323572.db2.gz UVTFTOMJKYJJJW-LLVKDONJSA-N 0 3 288.311 0.938 20 5 CCBDHN [NH3+]CCOCc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594653661 360352654 /nfs/dbraw/zinc/35/26/54/360352654.db2.gz XIZCKFPZFZLRMV-UHFFFAOYSA-N 0 3 279.256 0.356 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2=CC[NH2+]CC2)nc1 ZINC000595107226 360436701 /nfs/dbraw/zinc/43/67/01/360436701.db2.gz GIGDAJAZFQBZKB-UHFFFAOYSA-N 0 3 298.324 0.188 20 5 CCBDHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000595780739 360652760 /nfs/dbraw/zinc/65/27/60/360652760.db2.gz MHWRWRHZCIWHRA-MDZLAQPJSA-N 0 3 298.343 0.652 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1C[C@H](O)C12CCC2 ZINC000595779838 360652992 /nfs/dbraw/zinc/65/29/92/360652992.db2.gz FXAYWRVEDFVUKR-RYUDHWBXSA-N 0 3 293.323 0.650 20 5 CCBDHN NC(=O)C1(NCCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595729520 360631678 /nfs/dbraw/zinc/63/16/78/360631678.db2.gz STTOQOWBPAXASN-UHFFFAOYSA-N 0 3 293.323 0.761 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180509015 189259998 /nfs/dbraw/zinc/25/99/98/189259998.db2.gz OTXDXWBIVDNFEF-VIFPVBQESA-N 0 3 293.327 0.786 20 5 CCBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000597603202 361158192 /nfs/dbraw/zinc/15/81/92/361158192.db2.gz AOCBOCULYKWOTA-SNVBAGLBSA-N 0 3 296.331 0.129 20 5 CCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)CN(C)C ZINC000597655646 361175264 /nfs/dbraw/zinc/17/52/64/361175264.db2.gz ZRDYTKRVUMBVSP-SECBINFHSA-N 0 3 297.311 0.256 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597926025 361284655 /nfs/dbraw/zinc/28/46/55/361284655.db2.gz ZOCNAKRKZQSBJS-VIFPVBQESA-N 0 3 295.343 0.931 20 5 CCBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000597859232 361270828 /nfs/dbraw/zinc/27/08/28/361270828.db2.gz BSJURQIYEXZAQN-QMMMGPOBSA-N 0 3 281.316 0.921 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOCC3(CC3)C2)c1 ZINC000611815495 363787871 /nfs/dbraw/zinc/78/78/71/363787871.db2.gz HPRPWVJKNADUBN-GFCCVEGCSA-N 0 3 296.327 0.265 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN[C@H](C(C)C)C2)n1 ZINC000598573797 361446893 /nfs/dbraw/zinc/44/68/93/361446893.db2.gz OTBHXVKBWIKZJU-JTQLQIEISA-N 0 3 295.343 0.881 20 5 CCBDHN COC(=O)c1ccnc(N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000598626045 361465565 /nfs/dbraw/zinc/46/55/65/361465565.db2.gz YEZSLRSZLZLZHL-QMMMGPOBSA-N 0 3 298.299 0.111 20 5 CCBDHN Nc1ccnc2c1CN(c1ncc([N+](=O)[O-])c(N)n1)CC2 ZINC000598944180 361536491 /nfs/dbraw/zinc/53/64/91/361536491.db2.gz YONWVIKJZQZIMG-UHFFFAOYSA-N 0 3 287.283 0.337 20 5 CCBDHN O=[N+]([O-])c1ccc(CNCCN2CC[C@@H](O)C2)c(F)c1 ZINC000599009410 361554113 /nfs/dbraw/zinc/55/41/13/361554113.db2.gz KQZBFYADUJERMY-GFCCVEGCSA-N 0 3 283.303 0.890 20 5 CCBDHN N[C@@H]1C[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565232373 291364029 /nfs/dbraw/zinc/36/40/29/291364029.db2.gz FAUIBQSHQKKVRI-VHSXEESVSA-N 0 3 294.286 0.482 20 5 CCBDHN CO[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1C ZINC000251583103 285147719 /nfs/dbraw/zinc/14/77/19/285147719.db2.gz FGLMCVVOSQLVBD-KGYLQXTDSA-N 0 3 298.343 0.509 20 5 CCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000186392140 388835389 /nfs/dbraw/zinc/83/53/89/388835389.db2.gz CDTXYESREPLHOD-UHFFFAOYSA-N 0 3 279.300 0.398 20 5 CCBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000193318973 389066885 /nfs/dbraw/zinc/06/68/85/389066885.db2.gz VZJNRYCUQJXOTG-SECBINFHSA-N 0 3 287.341 0.837 20 5 CCBDHN CC(C)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000299284270 389040900 /nfs/dbraw/zinc/04/09/00/389040900.db2.gz PWMLUHRZVDQLJG-SECBINFHSA-N 0 3 293.327 0.983 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@@H](CN(C)C)C1 ZINC000192573638 389044433 /nfs/dbraw/zinc/04/44/33/389044433.db2.gz LCZOKZBOMOVEEW-NSHDSACASA-N 0 3 297.359 0.886 20 5 CCBDHN C[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237142686 389182563 /nfs/dbraw/zinc/18/25/63/389182563.db2.gz PPNPFPKRDLNNRN-UHFFFAOYSA-N 0 3 265.316 0.154 20 5 CCBDHN CN1CC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000264183853 389311074 /nfs/dbraw/zinc/31/10/74/389311074.db2.gz ZQKDVOFCEVRBGS-SSDOTTSWSA-N 0 3 252.278 0.331 20 5 CCBDHN CCCc1n[nH]c(C(=O)NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000264626122 389340009 /nfs/dbraw/zinc/34/00/09/389340009.db2.gz WTCFZMNUJHBRRT-QMMMGPOBSA-N 0 3 283.332 0.950 20 5 CCBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000264153485 389309410 /nfs/dbraw/zinc/30/94/10/389309410.db2.gz QVEQSBPSKVGNPE-QMMMGPOBSA-N 0 3 279.300 0.452 20 5 CCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCNCC1 ZINC000160847673 389401277 /nfs/dbraw/zinc/40/12/77/389401277.db2.gz SZWAGTKMVFFDIP-UHFFFAOYSA-N 0 3 267.289 0.003 20 5 CCBDHN CN(C)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000274036713 389479561 /nfs/dbraw/zinc/47/95/61/389479561.db2.gz XIXOAELGKZHMDT-SECBINFHSA-N 0 3 251.290 0.915 20 5 CCBDHN CN(CCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281904594 389633619 /nfs/dbraw/zinc/63/36/19/389633619.db2.gz QULJBVQMOVTCIM-NSHDSACASA-N 0 3 284.312 0.649 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC000351921473 389714944 /nfs/dbraw/zinc/71/49/44/389714944.db2.gz PTZSFAQKIAGIOJ-MWLCHTKSSA-N 0 3 267.285 0.069 20 5 CCBDHN CN(C)CCOC1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000351827277 389693391 /nfs/dbraw/zinc/69/33/91/389693391.db2.gz GGZXAPSSOHWCPY-UHFFFAOYSA-N 0 3 297.359 0.875 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000379462302 389761504 /nfs/dbraw/zinc/76/15/04/389761504.db2.gz CRVUDDJWGQLUPV-DTWKUNHWSA-N 0 3 266.301 0.756 20 5 CCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC000351960213 389726000 /nfs/dbraw/zinc/72/60/00/389726000.db2.gz SPQOKKWDIYPYFB-QWRGUYRKSA-N 0 3 267.333 0.816 20 5 CCBDHN C[C@H](CN1CCOCC1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000434700166 389942496 /nfs/dbraw/zinc/94/24/96/389942496.db2.gz RLCDZUHBWKNGGD-GFCCVEGCSA-N 0 3 297.359 0.444 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCC1=CCN(C)CC1 ZINC000538353651 390191254 /nfs/dbraw/zinc/19/12/54/390191254.db2.gz FZZSIJYEXAKUQV-UHFFFAOYSA-N 0 3 278.312 0.925 20 5 CCBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1CO ZINC000190344478 130091620 /nfs/dbraw/zinc/09/16/20/130091620.db2.gz TYYWISHEMUQEKW-VHSXEESVSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1 ZINC000237593252 131045467 /nfs/dbraw/zinc/04/54/67/131045467.db2.gz RNTRAMADLAIRST-UWVGGRQHSA-N 0 3 281.316 0.390 20 5 CCBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263799815 131334114 /nfs/dbraw/zinc/33/41/14/131334114.db2.gz SJIWGQTVFLCGLM-UHFFFAOYSA-N 0 3 281.312 0.903 20 5 CCBDHN C[C@@H]1C[C@H](C)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000548096359 286004895 /nfs/dbraw/zinc/00/48/95/286004895.db2.gz MQERFXTZIGTJHM-NGZCFLSTSA-N 0 3 254.290 0.635 20 5 CCBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000552132052 286154555 /nfs/dbraw/zinc/15/45/55/286154555.db2.gz WDPYLACYRJEIMM-SECBINFHSA-N 0 3 281.316 0.874 20 5 CCBDHN COC[C@@H](CO)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285120634 196201098 /nfs/dbraw/zinc/20/10/98/196201098.db2.gz LAMYVYVQXSVDLO-PSASIEDQSA-N 0 3 269.301 0.835 20 5 CCBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285594433 196338192 /nfs/dbraw/zinc/33/81/92/196338192.db2.gz IXNGCOAAQDFDPR-WCBMZHEXSA-N 0 3 281.316 0.730 20 5 CCBDHN NC(=O)c1cc(N2CCN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000147703870 544646029 /nfs/dbraw/zinc/64/60/29/544646029.db2.gz NEJHEMLJQFAAGB-UHFFFAOYSA-N 0 3 290.323 0.978 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343474026 265043398 /nfs/dbraw/zinc/04/33/98/265043398.db2.gz COROBEPBCJMASP-KOLCDFICSA-N 0 3 281.316 0.390 20 5 CCBDHN O=C(CNC[C@H]1CCCO1)NCc1ccccc1[N+](=O)[O-] ZINC000237932085 274975821 /nfs/dbraw/zinc/97/58/21/274975821.db2.gz NEDHODPJLIVRED-GFCCVEGCSA-N 0 3 293.323 0.980 20 5 CCBDHN CO[C@H](CN)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000353192316 277718632 /nfs/dbraw/zinc/71/86/32/277718632.db2.gz XWKDMYNTNGNTNU-LLVKDONJSA-N 0 3 265.269 0.458 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]1 ZINC000053254812 281261864 /nfs/dbraw/zinc/26/18/64/281261864.db2.gz NAJISAXWJBUXCP-JTQLQIEISA-N 0 3 299.352 0.934 20 5 CCBDHN CN(C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454355655 282061844 /nfs/dbraw/zinc/06/18/44/282061844.db2.gz BSJDNFZRDGZWNO-UHFFFAOYSA-N 0 3 254.290 0.993 20 5 CCBDHN CO[C@H](CN)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000289608077 294412432 /nfs/dbraw/zinc/41/24/32/294412432.db2.gz OBKHIYBOUBPDCI-LLVKDONJSA-N 0 3 282.300 0.097 20 5 CCBDHN CC(C)([NH3+])C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577750816 335397279 /nfs/dbraw/zinc/39/72/79/335397279.db2.gz ZCVZNPQEMXCATK-UHFFFAOYSA-N 0 3 274.302 0.005 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@H](C)[NH3+] ZINC000381489948 336066573 /nfs/dbraw/zinc/06/65/73/336066573.db2.gz PWOCTJYFMFUHQT-IUCAKERBSA-N 0 3 287.341 0.917 20 5 CCBDHN CC(C)N1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000340726947 519675125 /nfs/dbraw/zinc/67/51/25/519675125.db2.gz XISZYMNAPMBDNH-UHFFFAOYSA-N 0 3 296.331 0.129 20 5 CCBDHN COCCN(C)CCNc1c([N+](=O)[O-])ncn1C ZINC000061379630 523613491 /nfs/dbraw/zinc/61/34/91/523613491.db2.gz OESKWGORNQTCFU-UHFFFAOYSA-N 0 3 257.294 0.318 20 5 CCBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N(C)C ZINC000068101862 524458073 /nfs/dbraw/zinc/45/80/73/524458073.db2.gz JMPYSJPDRVUYTQ-SSDOTTSWSA-N 0 3 284.291 0.996 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2CCO)c1 ZINC000426250619 534889199 /nfs/dbraw/zinc/88/91/99/534889199.db2.gz UUOADFGWWVRYGK-JTQLQIEISA-N 0 3 254.290 0.638 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000356492500 527558498 /nfs/dbraw/zinc/55/84/98/527558498.db2.gz VVZOFABPKJMTJC-UHFFFAOYSA-N 0 3 267.289 0.154 20 5 CCBDHN CCO[C@@H]1COC[C@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000451939739 527785829 /nfs/dbraw/zinc/78/58/29/527785829.db2.gz RBQMROGLJMHUKT-GHMZBOCLSA-N 0 3 270.289 0.185 20 5 CCBDHN CC1(C)CCCN[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423894557 528949781 /nfs/dbraw/zinc/94/97/81/528949781.db2.gz DXBCEPCJJZJOSZ-NSHDSACASA-N 0 3 295.343 0.686 20 5 CCBDHN COC[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369681803 536730753 /nfs/dbraw/zinc/73/07/53/536730753.db2.gz QDOHWHPMVCSMGM-NSHDSACASA-N 0 3 284.316 0.436 20 5 CCBDHN Cc1nn(C)c(C(=O)NCCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000783915752 581367268 /nfs/dbraw/zinc/36/72/68/581367268.db2.gz GTTQAMCQOIWLHQ-SECBINFHSA-N 0 3 295.343 0.851 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000761716251 581918827 /nfs/dbraw/zinc/91/88/27/581918827.db2.gz ZMUGTTIKAWVIST-NSHDSACASA-N 0 3 280.328 0.392 20 5 CCBDHN O=C(CN[C@H](CO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000763077943 581984670 /nfs/dbraw/zinc/98/46/70/581984670.db2.gz CIERYIRMGKLJCI-LLVKDONJSA-N 0 3 279.296 0.894 20 5 CCBDHN CC[C@@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749649551 582016183 /nfs/dbraw/zinc/01/61/83/582016183.db2.gz WWMVQKZWHCOCCW-JQWIXIFHSA-N 0 3 254.286 0.989 20 5 CCBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1CCCC1=O ZINC000813115091 614079864 /nfs/dbraw/zinc/07/98/64/614079864.db2.gz KLSVNJJFTKDIMV-KOLCDFICSA-N 0 3 272.301 0.842 20 5 CCBDHN COc1ccc([C@@H](CO)CNCC[N+](=O)[O-])cc1 ZINC000905369089 617278708 /nfs/dbraw/zinc/27/87/08/617278708.db2.gz XVNSEBJPBJTEHW-LLVKDONJSA-N 0 3 254.286 0.637 20 5 CCBDHN COc1cccnc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114061 617322779 /nfs/dbraw/zinc/32/27/79/617322779.db2.gz LSZBCEJIWNDLKG-MRVPVSSYSA-N 0 3 254.242 0.841 20 5 CCBDHN CC(C)(CCN1CCOCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000912949176 614084135 /nfs/dbraw/zinc/08/41/35/614084135.db2.gz LLKWEPDKAJUNEO-GHMZBOCLSA-N 0 3 285.344 0.269 20 5 CCBDHN CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839470659 614099938 /nfs/dbraw/zinc/09/99/38/614099938.db2.gz SFXMOSPHFJUQAY-IJLUTSLNSA-N 0 3 285.344 0.125 20 5 CCBDHN CCCN1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000842363350 614801237 /nfs/dbraw/zinc/80/12/37/614801237.db2.gz GNECEUFKPFAVMU-RKDXNWHRSA-N 0 3 258.274 0.453 20 5 CCBDHN CC[C@@H](CO)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000800101042 615490759 /nfs/dbraw/zinc/49/07/59/615490759.db2.gz POIJSZHKJWKAST-JTQLQIEISA-N 0 3 281.312 0.918 20 5 CCBDHN CC[C@H](CO)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000800101044 615736526 /nfs/dbraw/zinc/73/65/26/615736526.db2.gz POIJSZHKJWKAST-SNVBAGLBSA-N 0 3 281.312 0.918 20 5 CCBDHN CN(CCO)CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000899740446 616103552 /nfs/dbraw/zinc/10/35/52/616103552.db2.gz JKBJKQYRYDILED-UHFFFAOYSA-N 0 3 299.302 0.317 20 5 CCBDHN CN1CCNC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182927 616248017 /nfs/dbraw/zinc/24/80/17/616248017.db2.gz LOBJQZZNHYTQLP-CYBMUJFWSA-N 0 3 290.323 0.388 20 5 CCBDHN CN1CC[C@@H]2CC[C@H](C1)N2c1ncc([N+](=O)[O-])c(N)n1 ZINC000887268762 616311009 /nfs/dbraw/zinc/31/10/09/616311009.db2.gz UOWOBDPDFBOUOI-DTWKUNHWSA-N 0 3 278.316 0.640 20 5 CCBDHN COC[C@@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843080054 616867336 /nfs/dbraw/zinc/86/73/36/616867336.db2.gz DYXPHPCIYYQRLA-PWSUYJOCSA-N 0 3 270.285 0.225 20 5 CCBDHN CNC(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104021 616916116 /nfs/dbraw/zinc/91/61/16/616916116.db2.gz IXXNLTOUHKDDLK-QMMMGPOBSA-N 0 3 266.253 0.868 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](O)C1(C)C ZINC000312052155 625360595 /nfs/dbraw/zinc/36/05/95/625360595.db2.gz XMGBHTNONIVDQQ-JTQLQIEISA-N 0 3 268.317 0.945 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000928448612 631855510 /nfs/dbraw/zinc/85/55/10/631855510.db2.gz OPWQMYIWYRRVNJ-MWLCHTKSSA-N 0 3 295.343 0.735 20 5 CCBDHN O=[N+]([O-])CCNC[C@@H](c1ccccc1)N1CCOCC1 ZINC000899866136 633911634 /nfs/dbraw/zinc/91/16/34/633911634.db2.gz MGIGCLSUKDMOIR-AWEZNQCLSA-N 0 3 279.340 0.926 20 5 CCBDHN CC(COC(=O)c1cn(C2CCC2)nn1)[N+](=O)[O-] ZINC000842802330 640234073 /nfs/dbraw/zinc/23/40/73/640234073.db2.gz VODCRKPIMAOBLZ-SSDOTTSWSA-N 0 3 254.246 0.825 20 5 CCBDHN CC(COC(=O)c1cc(OC(F)F)n(C)n1)[N+](=O)[O-] ZINC000813108258 641023476 /nfs/dbraw/zinc/02/34/76/641023476.db2.gz WZJCVJXCKJLLQA-YFKPBYRVSA-N 0 3 279.199 0.844 20 5 CCBDHN CC(COC(=O)COCc1ccnn1C)[N+](=O)[O-] ZINC000813106476 641023538 /nfs/dbraw/zinc/02/35/38/641023538.db2.gz DCWFUQSCJRGRRF-MRVPVSSYSA-N 0 3 257.246 0.145 20 5 CCBDHN CC(COC(=O)C1(C)COC(C)(C)OC1)[N+](=O)[O-] ZINC000813107518 641023630 /nfs/dbraw/zinc/02/36/30/641023630.db2.gz RTJUMXRVBWXRHZ-MRVPVSSYSA-N 0 3 261.274 0.984 20 5 CCBDHN CC(COC(=O)c1ncn(C(C)(C)C)n1)[N+](=O)[O-] ZINC000813111014 641024725 /nfs/dbraw/zinc/02/47/25/641024725.db2.gz AIWMYRFNEGUTFQ-SSDOTTSWSA-N 0 3 256.262 0.855 20 5 CCBDHN COc1c2cnn(C)c2ncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113214 641024931 /nfs/dbraw/zinc/02/49/31/641024931.db2.gz OJPBTCDSSVDMJV-ZETCQYMHSA-N 0 3 294.267 0.799 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000820273437 641491574 /nfs/dbraw/zinc/49/15/74/641491574.db2.gz UVCAPOKFWGYEBW-GHMZBOCLSA-N 0 3 293.327 0.262 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCCN1C ZINC000827136052 641984272 /nfs/dbraw/zinc/98/42/72/641984272.db2.gz LIPDMRWVGFUKIL-SNVBAGLBSA-N 0 3 281.316 0.310 20 5 CCBDHN CC(COC(=O)c1cn(-c2cccnc2)nn1)[N+](=O)[O-] ZINC000835457006 642664742 /nfs/dbraw/zinc/66/47/42/642664742.db2.gz VUNGHOFIBXUKGJ-QMMMGPOBSA-N 0 3 277.240 0.484 20 5 CCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000852918442 644057786 /nfs/dbraw/zinc/05/77/86/644057786.db2.gz BCVOOWHHZDSTGD-MWLCHTKSSA-N 0 3 282.275 0.688 20 5 CCBDHN C[C@@H]1CC[C@H](CO)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000880441723 647201517 /nfs/dbraw/zinc/20/15/17/647201517.db2.gz FGLVWZGMLJWQNI-ZYHUDNBSSA-N 0 3 281.312 0.602 20 5 CCBDHN COC(=O)Cc1c(=O)[n-]cnc1O[C@H](C)C[N+](C)(C)C ZINC001230502019 805606246 /nfs/dbraw/zinc/60/62/46/805606246.db2.gz PLAQNPWXESSWPA-SECBINFHSA-O 0 3 284.336 0.371 20 5 CCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@]2(O)CCN(C)C2)n1 ZINC001153702006 800653870 /nfs/dbraw/zinc/65/38/70/800653870.db2.gz JZXHVSMBUWLLBB-CYBMUJFWSA-N 0 3 294.311 0.095 20 5 CCBDHN COCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001153985343 800699065 /nfs/dbraw/zinc/69/90/65/800699065.db2.gz PJXCTAJGWYOOAA-UHFFFAOYSA-N 0 3 281.312 0.837 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1-n1nccc1CN ZINC001155124003 800914394 /nfs/dbraw/zinc/91/43/94/800914394.db2.gz RCEHZDASTUUEFY-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN COc1nc(N2C[C@@H]3CCCN(C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157259774 801335015 /nfs/dbraw/zinc/33/50/15/801335015.db2.gz FYLZNNRQKHLYDQ-GXSJLCMTSA-N 0 3 293.327 0.924 20 5 CCBDHN CN1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3N)C[C@@H]21 ZINC001158784566 801706305 /nfs/dbraw/zinc/70/63/05/801706305.db2.gz LIQKTUAPZNEJQV-RNCFNFMXSA-N 0 3 290.323 0.953 20 5 CCBDHN O=[N+]([O-])c1ccnc(N2CC[C@@H]3NCCO[C@H]3C2)c1 ZINC001165269617 802808302 /nfs/dbraw/zinc/80/83/02/802808302.db2.gz PMSBWCBGCHPOJN-QWRGUYRKSA-N 0 3 264.285 0.557 20 5 CCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H](O)[C@H](CO)C1 ZINC001254551832 808260030 /nfs/dbraw/zinc/26/00/30/808260030.db2.gz GHKHQGRWUYVJBI-OSMZGAPFSA-N 0 3 280.324 0.811 20 5 CCBDHN CN(C)C(=O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567871 808261126 /nfs/dbraw/zinc/26/11/26/808261126.db2.gz QIOAIBLOLUBYSO-NSHDSACASA-N 0 3 263.297 0.740 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H](CO)[C@@H](O)C1)C2 ZINC001254593533 808263921 /nfs/dbraw/zinc/26/39/21/808263921.db2.gz MNLBQDCHDGNHAX-DFBGVHRSSA-N 0 3 292.335 0.737 20 5 CCBDHN O=C(NCCNCc1cc(C2CC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936477 815322555 /nfs/dbraw/zinc/32/25/55/815322555.db2.gz KCQOERCFDJZQLJ-ZYHUDNBSSA-N 0 3 294.311 0.423 20 5 CCBDHN COc1cnc(-n2cnc3c2CNCC3)c([N+](=O)[O-])c1 ZINC001164313024 820826757 /nfs/dbraw/zinc/82/67/57/820826757.db2.gz ADQOJCNVMQFMOI-UHFFFAOYSA-N 0 3 275.268 0.830 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN2C)n1 ZINC001129905536 837580213 /nfs/dbraw/zinc/58/02/13/837580213.db2.gz MFLPIFTWCYYIIQ-JTQLQIEISA-N 0 3 295.343 0.977 20 5 CCBDHN NCc1cnnn1-c1nccc(Br)c1[N+](=O)[O-] ZINC001169312228 836190870 /nfs/dbraw/zinc/19/08/70/836190870.db2.gz SVVLNJDEKUOLOI-UHFFFAOYSA-N 0 3 299.088 0.792 20 5 CCBDHN C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CNCCO1 ZINC001170557911 838073848 /nfs/dbraw/zinc/07/38/48/838073848.db2.gz ITSAVJMFZFXGBH-WCBMZHEXSA-N 0 3 252.274 0.779 20 5 CCBDHN COc1ccc(N[C@H](C)[C@H]2CNCCO2)nc1[N+](=O)[O-] ZINC001170563139 838111585 /nfs/dbraw/zinc/11/15/85/838111585.db2.gz KQKULLRHTCVIGN-PSASIEDQSA-N 0 3 282.300 0.787 20 5 CCBDHN CC(COC(=O)CN1C(=O)COc2ccccc21)[N+](=O)[O-] ZINC000813101575 838676305 /nfs/dbraw/zinc/67/63/05/838676305.db2.gz DOGJTNGLVJVDCD-SECBINFHSA-N 0 3 294.263 0.620 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000716704400 841674328 /nfs/dbraw/zinc/67/43/28/841674328.db2.gz MWTPEFPXMNQUCP-SECBINFHSA-N 0 3 285.275 0.386 20 5 CCBDHN COc1cc(C[NH2+]CCCNC(C)=O)c([N+](=O)[O-])cc1[O-] ZINC001177180898 842519164 /nfs/dbraw/zinc/51/91/64/842519164.db2.gz NJZYGLNQWOUZDO-UHFFFAOYSA-N 0 3 297.311 0.925 20 5 CCBDHN CCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001153990132 848117007 /nfs/dbraw/zinc/11/70/07/848117007.db2.gz RKDSBKXXPYIKLM-UHFFFAOYSA-N 0 3 269.305 0.334 20 5 CCBDHN C[C@@H](O)[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000717289895 848218457 /nfs/dbraw/zinc/21/84/57/848218457.db2.gz ZAXWXSYMCMJRBG-YGOYTEALSA-N 0 3 254.286 0.987 20 5 CCBDHN CN1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001337480433 921258168 /nfs/dbraw/zinc/25/81/68/921258168.db2.gz LYQBFSDCTCZPQO-JTQLQIEISA-N 0 3 281.316 0.392 20 5 CCBDHN CC(C)[C@H]1CN(c2nnc(C[N+](=O)[O-])n2C)CCN1C ZINC001338839887 921590690 /nfs/dbraw/zinc/59/06/90/921590690.db2.gz ZEXZCZLSFGFRPP-SNVBAGLBSA-N 0 3 282.348 0.368 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001340615877 922142734 /nfs/dbraw/zinc/14/27/34/922142734.db2.gz PISZYQNLXYOEIG-JTQLQIEISA-N 0 3 291.307 0.764 20 5 CCBDHN CN1CCNC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001341484420 922508037 /nfs/dbraw/zinc/50/80/37/922508037.db2.gz ROLZGOHTJUNFCO-CYBMUJFWSA-N 0 3 292.339 0.157 20 5 CCBDHN C[C@@H](C[N+](=O)[O-])OC(=O)C1CCCN(C2CC2)C1=O ZINC001346158365 924088771 /nfs/dbraw/zinc/08/87/71/924088771.db2.gz JGAJPBSOPWCEFL-WCBMZHEXSA-N 0 3 270.285 0.596 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2C3CCC2(CO)CC3)n1 ZINC001351632420 925447394 /nfs/dbraw/zinc/44/73/94/925447394.db2.gz MNMOZVWLRPWHIW-UHFFFAOYSA-N 0 3 266.301 0.781 20 5 CCBDHN C[C@]1(O)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000124573178 187143786 /nfs/dbraw/zinc/14/37/86/187143786.db2.gz UFKJUNITOSVQSG-NSHDSACASA-N 0 3 254.290 0.638 20 5 CCBDHN CC[C@@H]1[C@H](CO)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000451257219 529485953 /nfs/dbraw/zinc/48/59/53/529485953.db2.gz PUTBOEAOWIEYNH-CMPLNLGQSA-N 0 3 268.317 0.884 20 5 CCBDHN CN(C)[C@H]1CN(c2ccsc2[N+](=O)[O-])C[C@@H]1O ZINC000601167034 362164777 /nfs/dbraw/zinc/16/47/77/362164777.db2.gz YDINZGJSKGHUQE-IUCAKERBSA-N 0 3 257.315 0.767 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601975499 362445952 /nfs/dbraw/zinc/44/59/52/362445952.db2.gz WJGIIHWKFOZLOG-AOOOYVTPSA-N 0 3 252.274 0.370 20 5 CCBDHN CCCN(CCN(C)C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000119613457 349944371 /nfs/dbraw/zinc/94/43/71/349944371.db2.gz IECYHULGTHPBOE-UHFFFAOYSA-N 0 3 283.332 0.742 20 5 CCBDHN O=C1C[C@@]2(CN1)CCCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000342338078 137089228 /nfs/dbraw/zinc/08/92/28/137089228.db2.gz LELMZWWQOGWLFF-CYBMUJFWSA-N 0 3 293.327 0.393 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](O)C2)c1 ZINC000032758451 348138369 /nfs/dbraw/zinc/13/83/69/348138369.db2.gz MWYJBYKXIOHLRM-QWHCGFSZSA-N 0 3 296.323 0.791 20 5 CCBDHN CC(C)C(=O)NCCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040801307 348241867 /nfs/dbraw/zinc/24/18/67/348241867.db2.gz CHDYVUVTBLEFJS-ZDUSSCGKSA-N 0 3 295.339 0.990 20 5 CCBDHN COC[C@H](NCc1cn(C)nc1[N+](=O)[O-])C1CCOCC1 ZINC000602885854 362865185 /nfs/dbraw/zinc/86/51/85/362865185.db2.gz WUTDTVQGXVMDKQ-LBPRGKRZSA-N 0 3 298.343 0.860 20 5 CCBDHN C[C@@]1(CO)C[C@H](O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000602906759 362880654 /nfs/dbraw/zinc/88/06/54/362880654.db2.gz KBEMAIYWHCQPFD-JSGCOSHPSA-N 0 3 296.323 0.791 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)C1CC1 ZINC000050104087 348467500 /nfs/dbraw/zinc/46/75/00/348467500.db2.gz MTQOPIRWFQCZCD-UHFFFAOYSA-N 0 3 254.290 0.556 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)Cn2cccn2)c1 ZINC000052926329 348517108 /nfs/dbraw/zinc/51/71/08/348517108.db2.gz AXUKCEYSNQHXIK-CYBMUJFWSA-N 0 3 276.296 0.942 20 5 CCBDHN COCCN1CCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000068911025 348826675 /nfs/dbraw/zinc/82/66/75/348826675.db2.gz LERQFPRJPCFZMJ-SNVBAGLBSA-N 0 3 283.332 0.851 20 5 CCBDHN Cc1nn(CCC(=O)N(C)CCN(C)C)c(C)c1[N+](=O)[O-] ZINC000080388117 349211529 /nfs/dbraw/zinc/21/15/29/349211529.db2.gz MHGAFIOPQBVQFJ-UHFFFAOYSA-N 0 3 297.359 0.818 20 5 CCBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1CNC1 ZINC000090290008 179950929 /nfs/dbraw/zinc/95/09/29/179950929.db2.gz FQAKSMSWDZSSFI-UHFFFAOYSA-N 0 3 285.325 0.496 20 5 CCBDHN O=[N+]([O-])c1cccc(-c2ncn(C[C@@H]3CNCCO3)n2)c1 ZINC000122460046 350065913 /nfs/dbraw/zinc/06/59/13/350065913.db2.gz NYGOGHBOJGRNRF-LBPRGKRZSA-N 0 3 289.295 0.842 20 5 CCBDHN CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000124350318 350096316 /nfs/dbraw/zinc/09/63/16/350096316.db2.gz VYBZQLTZNXZFEF-GFCCVEGCSA-N 0 3 293.327 0.701 20 5 CCBDHN C[C@@H]1CCCCN1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000162128354 350737575 /nfs/dbraw/zinc/73/75/75/350737575.db2.gz RQTKIYFAZUIUAF-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN CC(=O)NC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176219416 351162450 /nfs/dbraw/zinc/16/24/50/351162450.db2.gz MLKPVEMWSXXVCI-LBPRGKRZSA-N 0 3 295.343 0.639 20 5 CCBDHN CC(C)(CC(N)=O)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186260689 351489219 /nfs/dbraw/zinc/48/92/19/351489219.db2.gz WULCNMOYEXMMQE-NSHDSACASA-N 0 3 281.312 0.872 20 5 CCBDHN C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC000266244020 352692637 /nfs/dbraw/zinc/69/26/37/352692637.db2.gz LTGLDYZRTYTTEX-DTWKUNHWSA-N 0 3 280.332 0.886 20 5 CCBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000267691835 352784430 /nfs/dbraw/zinc/78/44/30/352784430.db2.gz QXKYVJCYOYDZLA-DTWKUNHWSA-N 0 3 280.332 0.743 20 5 CCBDHN C[C@@H](CN1CCCCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271090870 353021845 /nfs/dbraw/zinc/02/18/45/353021845.db2.gz IDGRVZGPPPZZCT-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN C[C@H](O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272591224 353077244 /nfs/dbraw/zinc/07/72/44/353077244.db2.gz PMNCRLNVTGLXLS-VHSXEESVSA-N 0 3 254.290 0.494 20 5 CCBDHN Cc1c(C(=O)NC[C@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000152604081 188031757 /nfs/dbraw/zinc/03/17/57/188031757.db2.gz RFELFSFNSHEZMT-AWEZNQCLSA-N 0 3 295.339 0.946 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CN1C1CC1 ZINC000152974805 188056830 /nfs/dbraw/zinc/05/68/30/188056830.db2.gz BPVWWFGOUHRLPM-YUMQZZPRSA-N 0 3 279.300 0.673 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CN1C1CC1 ZINC000152974805 188056831 /nfs/dbraw/zinc/05/68/31/188056831.db2.gz BPVWWFGOUHRLPM-YUMQZZPRSA-N 0 3 279.300 0.673 20 5 CCBDHN CN(C)[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000292451098 198294042 /nfs/dbraw/zinc/29/40/42/198294042.db2.gz WVXYIADABCPOOH-RYUDHWBXSA-N 0 3 251.286 0.706 20 5 CCBDHN CN(C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157330431 188310740 /nfs/dbraw/zinc/31/07/40/188310740.db2.gz QLXCIMLTIORVDC-VIFPVBQESA-N 0 3 278.312 0.953 20 5 CCBDHN CN(CCC(=O)NC(N)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282338889 353414677 /nfs/dbraw/zinc/41/46/77/353414677.db2.gz BSJLDMQTAONOKH-UHFFFAOYSA-N 0 3 294.311 0.654 20 5 CCBDHN O=C(NCC[N@H+]1CC=CCC1)c1cc([N+](=O)[O-])n[n-]1 ZINC000286113052 353562672 /nfs/dbraw/zinc/56/26/72/353562672.db2.gz XIGUUMLRRKJYJJ-UHFFFAOYSA-N 0 3 265.273 0.310 20 5 CCBDHN O=C(NCC[N@@H+]1CC=CCC1)c1cc([N+](=O)[O-])n[n-]1 ZINC000286113052 353562673 /nfs/dbraw/zinc/56/26/73/353562673.db2.gz XIGUUMLRRKJYJJ-UHFFFAOYSA-N 0 3 265.273 0.310 20 5 CCBDHN CO[C@H](CN)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000290008668 353701082 /nfs/dbraw/zinc/70/10/82/353701082.db2.gz QBOVRHQETOVSSX-SNVBAGLBSA-N 0 3 287.703 0.838 20 5 CCBDHN Cc1cc(=O)n(C[C@@H](O)CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000290736681 353745932 /nfs/dbraw/zinc/74/59/32/353745932.db2.gz GRQUVAARHCAQIU-NSHDSACASA-N 0 3 281.312 0.520 20 5 CCBDHN CCN1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000298723338 353966425 /nfs/dbraw/zinc/96/64/25/353966425.db2.gz LYAHAOXCOZTNLR-UHFFFAOYSA-N 0 3 266.305 0.863 20 5 CCBDHN CN1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299177323 353996754 /nfs/dbraw/zinc/99/67/54/353996754.db2.gz XSHXKMVMRRCKIP-UHFFFAOYSA-N 0 3 252.274 0.747 20 5 CCBDHN COCCN1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000330547923 354405391 /nfs/dbraw/zinc/40/53/91/354405391.db2.gz WBSDZVQCJNSICV-UHFFFAOYSA-N 0 3 297.315 0.159 20 5 CCBDHN C[C@H]1CCN[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000423893034 235108186 /nfs/dbraw/zinc/10/81/86/235108186.db2.gz COSYGZSJLDDSLH-ONGXEEELSA-N 0 3 281.316 0.296 20 5 CCBDHN N[C@@H]1C[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000424063846 235145398 /nfs/dbraw/zinc/14/53/98/235145398.db2.gz JGWBSJAXNRGIIA-WDEREUQCSA-N 0 3 264.285 0.470 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)N ZINC000353435274 356222718 /nfs/dbraw/zinc/22/27/18/356222718.db2.gz FHIPBXWUQSVZEL-ZETCQYMHSA-N 0 3 253.258 0.567 20 5 CCBDHN NC(=O)c1cccc(N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000342227635 283385201 /nfs/dbraw/zinc/38/52/01/283385201.db2.gz PNSKHCRPRVHLIU-SNVBAGLBSA-N 0 3 290.323 0.978 20 5 CCBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000570092187 358822144 /nfs/dbraw/zinc/82/21/44/358822144.db2.gz XIECUCLFOZGZIC-QMMMGPOBSA-N 0 3 286.313 0.005 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000589941639 359411809 /nfs/dbraw/zinc/41/18/09/359411809.db2.gz ZYAUVIYFRGWMGA-CABZTGNLSA-N 0 3 278.312 0.709 20 5 CCBDHN CC(C)(C(=O)NC[C@@H]1C[C@H](F)CN1)n1cc([N+](=O)[O-])cn1 ZINC000591686019 359638669 /nfs/dbraw/zinc/63/86/69/359638669.db2.gz LQNIVJXCANJFDV-IUCAKERBSA-N 0 3 299.306 0.343 20 5 CCBDHN C[C@@H](NC1CC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000592223872 359802171 /nfs/dbraw/zinc/80/21/71/359802171.db2.gz IQOWIOAIWONCSJ-MRVPVSSYSA-N 0 3 267.289 0.048 20 5 CCBDHN CC[C@H](CN1CCCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000611206681 363679903 /nfs/dbraw/zinc/67/99/03/363679903.db2.gz NSCJAWCXSGMJKK-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN CN(C)CCc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594653447 360352878 /nfs/dbraw/zinc/35/28/78/360352878.db2.gz UUKPGLJEFJQHBV-UHFFFAOYSA-N 0 3 277.284 0.985 20 5 CCBDHN O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@H]1CNCCO1 ZINC000594699529 360361810 /nfs/dbraw/zinc/36/18/10/360361810.db2.gz YXMLBWQCYAJQHU-MRVPVSSYSA-N 0 3 273.676 0.398 20 5 CCBDHN COC(=O)[C@@]1(C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000177445283 189051857 /nfs/dbraw/zinc/05/18/57/189051857.db2.gz RNCLTWHCBJRSJC-LBPRGKRZSA-N 0 3 282.300 0.676 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[NH2+]C2CC2)nc1 ZINC000595102995 360436516 /nfs/dbraw/zinc/43/65/16/360436516.db2.gz SHFDKZMJHNRABZ-UHFFFAOYSA-N 0 3 286.313 0.020 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596243365 360849799 /nfs/dbraw/zinc/84/97/99/360849799.db2.gz KJMHTEPPBLOXRC-VIFPVBQESA-N 0 3 282.300 0.028 20 5 CCBDHN CC(C)(C)N1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000597924879 361284898 /nfs/dbraw/zinc/28/48/98/361284898.db2.gz UGBVETXCBOUYPE-QMMMGPOBSA-N 0 3 281.316 0.921 20 5 CCBDHN CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCN(CC)C1 ZINC000598042505 361322746 /nfs/dbraw/zinc/32/27/46/361322746.db2.gz PAZJODOVQSTHBD-JTQLQIEISA-N 0 3 296.331 0.129 20 5 CCBDHN CN1CC[C@H](CSc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000564102517 291267097 /nfs/dbraw/zinc/26/70/97/291267097.db2.gz RRJFEDRMMFCEME-ZETCQYMHSA-N 0 3 269.330 0.841 20 5 CCBDHN N[C@H]1C[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)CCN2C1=O ZINC000564101319 291267288 /nfs/dbraw/zinc/26/72/88/291267288.db2.gz IPOBJVMVJXAQEJ-ZJUUUORDSA-N 0 3 296.352 0.400 20 5 CCBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000598341386 361391599 /nfs/dbraw/zinc/39/15/99/361391599.db2.gz AKISJGNVGFEJQH-MRVPVSSYSA-N 0 3 267.289 0.532 20 5 CCBDHN CCCN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598342808 361392512 /nfs/dbraw/zinc/39/25/12/361392512.db2.gz NFDJLUOSBIPPBK-SNVBAGLBSA-N 0 3 281.316 0.392 20 5 CCBDHN COc1ccc(CNCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599009913 361554059 /nfs/dbraw/zinc/55/40/59/361554059.db2.gz OOEHUBBFPVKOSM-GFCCVEGCSA-N 0 3 295.339 0.760 20 5 CCBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H](F)CN1 ZINC000275607716 193085269 /nfs/dbraw/zinc/08/52/69/193085269.db2.gz ICNSGMAPYPSQIO-WDEREUQCSA-N 0 3 281.287 0.954 20 5 CCBDHN CN(CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])C1CC1 ZINC000565178436 291352696 /nfs/dbraw/zinc/35/26/96/291352696.db2.gz FKIWKAAMKPBPAW-UHFFFAOYSA-N 0 3 279.300 0.226 20 5 CCBDHN CN(C)CC1(NC(=O)c2c([N+](=O)[O-])cnn2C)CCC1 ZINC000331750648 204121253 /nfs/dbraw/zinc/12/12/53/204121253.db2.gz FSTTVFIGCSNLRF-UHFFFAOYSA-N 0 3 281.316 0.542 20 5 CCBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000574465157 335022390 /nfs/dbraw/zinc/02/23/90/335022390.db2.gz DBAPEMKOJZMHLV-VHSXEESVSA-N 0 3 291.311 0.046 20 5 CCBDHN C[C@@H]1CC(O)C[C@@H](C)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249008694 189956754 /nfs/dbraw/zinc/95/67/54/189956754.db2.gz IIWVGXKTGNCLHP-BREBYQMCSA-N 0 3 298.343 0.386 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@](O)(CO)C2)cc1 ZINC000313690865 249001715 /nfs/dbraw/zinc/00/17/15/249001715.db2.gz YBXXMERHTCJFRR-AWEZNQCLSA-N 0 3 280.324 0.957 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]CC[NH3+])c([N+](=O)[O-])c1 ZINC000237613957 284973996 /nfs/dbraw/zinc/97/39/96/284973996.db2.gz ZUIRWCWWXQWPSD-UHFFFAOYSA-N 0 3 259.287 0.140 20 5 CCBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000520829881 285275394 /nfs/dbraw/zinc/27/53/94/285275394.db2.gz XOGSPXZGOCHTLX-VIFPVBQESA-N 0 3 281.316 0.698 20 5 CCBDHN C[C@@H](O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000192814581 389055535 /nfs/dbraw/zinc/05/55/35/389055535.db2.gz CDBUABOGVNNRCS-NWDGAFQWSA-N 0 3 297.359 0.178 20 5 CCBDHN C[C@@H]1C[C@@H](O)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340911247 389165447 /nfs/dbraw/zinc/16/54/47/389165447.db2.gz PDTOJBJZLVAKNB-RAIGVLPGSA-N 0 3 296.323 0.790 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@]3(CCOC3)C2)c1 ZINC000153639106 389304921 /nfs/dbraw/zinc/30/49/21/389304921.db2.gz ACYNZNIUMODEEL-GFCCVEGCSA-N 0 3 266.301 0.904 20 5 CCBDHN CN1CC=C(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000271918866 389446970 /nfs/dbraw/zinc/44/69/70/389446970.db2.gz KAXKSUVFPOSQPY-UHFFFAOYSA-N 0 3 293.327 0.560 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000351921474 389715186 /nfs/dbraw/zinc/71/51/86/389715186.db2.gz PTZSFAQKIAGIOJ-ONGXEEELSA-N 0 3 267.285 0.069 20 5 CCBDHN CN1CCC(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000428725052 389715750 /nfs/dbraw/zinc/71/57/50/389715750.db2.gz XTOVLVRTKDPOLW-UHFFFAOYSA-N 0 3 281.316 0.249 20 5 CCBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000416291029 389726445 /nfs/dbraw/zinc/72/64/45/389726445.db2.gz NICOOLAWMUOYAN-UHFFFAOYSA-N 0 3 252.274 0.747 20 5 CCBDHN N[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000429097759 389736721 /nfs/dbraw/zinc/73/67/21/389736721.db2.gz IJPWKJRYBGOXBI-SNVBAGLBSA-N 0 3 290.283 0.003 20 5 CCBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000408039096 389821232 /nfs/dbraw/zinc/82/12/32/389821232.db2.gz SZOPKXNIWMGSGN-VHSXEESVSA-N 0 3 295.343 0.741 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000446424297 389936025 /nfs/dbraw/zinc/93/60/25/389936025.db2.gz JPNMWYSBUGVVCV-AWEZNQCLSA-N 0 3 293.323 0.700 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000447241233 389948432 /nfs/dbraw/zinc/94/84/32/389948432.db2.gz YCGTVHRGWRITRS-VIFPVBQESA-N 0 3 287.341 0.776 20 5 CCBDHN CN(C[C@@H]1CCCN1C)c1ncc([N+](=O)[O-])cn1 ZINC000420637007 390019659 /nfs/dbraw/zinc/01/96/59/390019659.db2.gz OEICFFAMRXGFLZ-VIFPVBQESA-N 0 3 251.290 0.915 20 5 CCBDHN C[C@@]1(CO)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000544760526 390310312 /nfs/dbraw/zinc/31/03/12/390310312.db2.gz HNTMYTIIOATYCB-NSHDSACASA-N 0 3 254.290 0.638 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCO)cc1 ZINC000519839681 390552776 /nfs/dbraw/zinc/55/27/76/390552776.db2.gz JDYAZFYUGZKHMV-UHFFFAOYSA-N 0 3 288.325 0.341 20 5 CCBDHN Cc1nc(NC[C@@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000358341321 533597892 /nfs/dbraw/zinc/59/78/92/533597892.db2.gz QTFCFVCYGQVKEL-LBPRGKRZSA-N 0 3 266.301 0.199 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000237419505 131029386 /nfs/dbraw/zinc/02/93/86/131029386.db2.gz IVGKRCJXTFADFE-NXEZZACHSA-N 0 3 295.343 0.699 20 5 CCBDHN CN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000263950222 131367277 /nfs/dbraw/zinc/36/72/77/131367277.db2.gz IUZJHFYRKRDRIQ-SSDOTTSWSA-N 0 3 252.278 0.473 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000181536913 296515638 /nfs/dbraw/zinc/51/56/38/296515638.db2.gz WZJFNUNGKXBOOH-LBPRGKRZSA-N 0 3 296.323 0.791 20 5 CCBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCNCC2)cc1 ZINC000021804570 171326731 /nfs/dbraw/zinc/32/67/31/171326731.db2.gz LZDHMHCFQJJQMC-UHFFFAOYSA-N 0 3 299.352 0.720 20 5 CCBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@H]2C1 ZINC000284860541 196146042 /nfs/dbraw/zinc/14/60/42/196146042.db2.gz FHLBMVTZQPSQCF-WPRPVWTQSA-N 0 3 279.300 0.484 20 5 CCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N(C)C1CC1 ZINC000285444109 196285569 /nfs/dbraw/zinc/28/55/69/196285569.db2.gz XVUKSKCOBGJDOI-ZETCQYMHSA-N 0 3 267.289 0.530 20 5 CCBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285720632 196377801 /nfs/dbraw/zinc/37/78/01/196377801.db2.gz QENFQSHHLUIYLZ-PSASIEDQSA-N 0 3 281.316 0.776 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CCN[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000262898102 279187952 /nfs/dbraw/zinc/18/79/52/279187952.db2.gz XKQPBKCWXKHVIH-VXNVDRBHSA-N 0 3 281.316 0.459 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000359953342 280399837 /nfs/dbraw/zinc/39/98/37/280399837.db2.gz WAGZXDVTOHVIRN-QWRGUYRKSA-N 0 3 280.328 0.718 20 5 CCBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356150709 289572009 /nfs/dbraw/zinc/57/20/09/289572009.db2.gz OSOXYWYDUIUUDX-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN CO[C@@H]1COC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000573681471 327248215 /nfs/dbraw/zinc/24/82/15/327248215.db2.gz XGVDNMIBZCABEZ-CHWSQXEVSA-N 0 3 282.296 0.977 20 5 CCBDHN CN[C@@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000577003926 335277714 /nfs/dbraw/zinc/27/77/14/335277714.db2.gz ATFCEFQEYFLHEO-VIFPVBQESA-N 0 3 251.286 0.861 20 5 CCBDHN C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000577373284 335344113 /nfs/dbraw/zinc/34/41/13/335344113.db2.gz OFTJLEITNHWADH-NKWVEPMBSA-N 0 3 274.302 0.004 20 5 CCBDHN CN(C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000179216475 335481505 /nfs/dbraw/zinc/48/15/05/335481505.db2.gz GDPBKHHOXWMDPD-UHFFFAOYSA-N 0 3 266.301 0.956 20 5 CCBDHN C[C@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCCN1 ZINC000423902690 534162987 /nfs/dbraw/zinc/16/29/87/534162987.db2.gz MAXDLQRBUFGGRO-GFCCVEGCSA-N 0 3 281.316 0.440 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2CCO)c1 ZINC000426250620 534889243 /nfs/dbraw/zinc/88/92/43/534889243.db2.gz UUOADFGWWVRYGK-SNVBAGLBSA-N 0 3 254.290 0.638 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000358056598 536480874 /nfs/dbraw/zinc/48/08/74/536480874.db2.gz ARMCAQKQMDZUKC-ZDUSSCGKSA-N 0 3 279.296 0.391 20 5 CCBDHN CCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356486149 535223106 /nfs/dbraw/zinc/22/31/06/535223106.db2.gz VCKAMZDHKXLEEB-UHFFFAOYSA-N 0 3 283.332 0.790 20 5 CCBDHN CCN(CC)CCOC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000772065700 581841486 /nfs/dbraw/zinc/84/14/86/581841486.db2.gz MNFVKRHBICCZCT-UHFFFAOYSA-N 0 3 297.311 0.642 20 5 CCBDHN CN1CCC2(CCN2C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000748326683 581969446 /nfs/dbraw/zinc/96/94/46/581969446.db2.gz ZZPLBXZQDONSDF-UHFFFAOYSA-N 0 3 293.327 0.488 20 5 CCBDHN CCC[C@H](O)[C@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843098820 614430306 /nfs/dbraw/zinc/43/03/06/614430306.db2.gz ALYRPCUXJIVCFV-MELADBBJSA-N 0 3 298.339 0.740 20 5 CCBDHN CC(C)(C)N1CC[C@@H]1COC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000845735784 613934159 /nfs/dbraw/zinc/93/41/59/613934159.db2.gz OUYSDHVJIHDROE-SECBINFHSA-N 0 3 297.315 0.602 20 5 CCBDHN CCC(=O)N1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108184 614535997 /nfs/dbraw/zinc/53/59/97/614535997.db2.gz BYBMKFOJRYKUSL-VHSXEESVSA-N 0 3 272.301 0.986 20 5 CCBDHN CCC(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813107243 614579208 /nfs/dbraw/zinc/57/92/08/614579208.db2.gz NNABJAMJQIZXSW-UWVGGRQHSA-N 0 3 272.301 0.843 20 5 CCBDHN CCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000824842410 614596493 /nfs/dbraw/zinc/59/64/93/614596493.db2.gz ULNQVVAVSAPCBN-LLVKDONJSA-N 0 3 295.343 0.652 20 5 CCBDHN COC(=O)C12CC(C(=O)OCC(C)[N+](=O)[O-])(C1)C2 ZINC000842801818 616398856 /nfs/dbraw/zinc/39/88/56/616398856.db2.gz MUVNWMCBWHXCTC-CAZGOSDBSA-N 0 3 257.242 0.538 20 5 CCBDHN COC(=O)c1coc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103308 617011212 /nfs/dbraw/zinc/01/12/12/617011212.db2.gz BVCLTAPWGCFFOM-LURJTMIESA-N 0 3 257.198 0.888 20 5 CCBDHN CC(COC(=O)c1ccnn1CC(F)F)[N+](=O)[O-] ZINC000813104792 624649768 /nfs/dbraw/zinc/64/97/68/624649768.db2.gz HNGPUGHZZZQMFX-LURJTMIESA-N 0 3 263.200 0.970 20 5 CCBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000905366128 634854756 /nfs/dbraw/zinc/85/47/56/634854756.db2.gz SRRGRRAXFVKFDB-SNVBAGLBSA-N 0 3 274.267 0.982 20 5 CCBDHN O=[N+]([O-])CCN[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000905348778 634845366 /nfs/dbraw/zinc/84/53/66/634845366.db2.gz HJCHPKHNWIVBJM-LLVKDONJSA-N 0 3 263.297 0.938 20 5 CCBDHN CC(COC(=O)Cc1cn(C)nc1Cl)[N+](=O)[O-] ZINC000816090909 641140932 /nfs/dbraw/zinc/14/09/32/641140932.db2.gz CMQIOSKTABZPCN-LURJTMIESA-N 0 3 261.665 0.824 20 5 CCBDHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)c(N)c([N+](=O)[O-])c1 ZINC000816618767 641179489 /nfs/dbraw/zinc/17/94/89/641179489.db2.gz IHRURELZRFPAOK-VIFPVBQESA-N 0 3 296.327 0.138 20 5 CCBDHN CC(COC(=O)c1ccc2c(n1)OCCO2)[N+](=O)[O-] ZINC000847714603 643549319 /nfs/dbraw/zinc/54/93/19/643549319.db2.gz XGIVJYANCWBNJS-ZETCQYMHSA-N 0 3 268.225 0.675 20 5 CCBDHN CC(COC(=O)Cc1nnn(C(C)(C)C)n1)[N+](=O)[O-] ZINC000851036459 643829037 /nfs/dbraw/zinc/82/90/37/643829037.db2.gz IHTMSJYRCWPIMQ-ZETCQYMHSA-N 0 3 271.277 0.179 20 5 CCBDHN CC(COC(=O)Cc1cnn2c1CCCC2)[N+](=O)[O-] ZINC000870377274 645988110 /nfs/dbraw/zinc/98/81/10/645988110.db2.gz PMJSJVVCOPRMOW-VIFPVBQESA-N 0 3 267.285 0.970 20 5 CCBDHN CCC[C@@H]1CN(CC[N+](=O)[O-])CCN1CCOC ZINC000930148453 648831283 /nfs/dbraw/zinc/83/12/83/648831283.db2.gz QYZKPRRZNAEJMF-GFCCVEGCSA-N 0 3 259.350 0.696 20 5 CCBDHN C[C@@H](NC[C@@H](O)[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC000932177503 649055432 /nfs/dbraw/zinc/05/54/32/649055432.db2.gz ADRCDAZXSSDTLQ-VDDIYKPWSA-N 0 3 254.286 0.987 20 5 CCBDHN CCn1c(C[N+](=O)[O-])nnc1N1CCN(C(C)(C)C)CC1 ZINC001121792524 799069559 /nfs/dbraw/zinc/06/95/59/799069559.db2.gz XHRIKXBHLOTDFM-UHFFFAOYSA-N 0 3 296.375 0.995 20 5 CCBDHN Cc1ccc(CNC(=O)[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC001122194722 799167367 /nfs/dbraw/zinc/16/73/67/799167367.db2.gz VSMNVVKBDHTMBK-ZDUSSCGKSA-N 0 3 292.339 0.423 20 5 CCBDHN CC(COC(=O)c1c2c(nn1C)CCC2)[N+](=O)[O-] ZINC001123043119 799342017 /nfs/dbraw/zinc/34/20/17/799342017.db2.gz WLNOSBYWWOYISH-SSDOTTSWSA-N 0 3 253.258 0.731 20 5 CCBDHN C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839478171 800025507 /nfs/dbraw/zinc/02/55/07/800025507.db2.gz DBJRDURUIKBJLU-WRWGMCAJSA-N 0 3 299.371 0.656 20 5 CCBDHN COc1cc(C)nc(-n2nccc2CN)c1[N+](=O)[O-] ZINC001155125165 800914916 /nfs/dbraw/zinc/91/49/16/800914916.db2.gz KNHYRQORVXKZBT-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C(C)(C)C1 ZINC001156836503 801246776 /nfs/dbraw/zinc/24/67/76/801246776.db2.gz JYRWSMOZUMHJOI-VIFPVBQESA-N 0 3 281.316 0.778 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1NC(=N)N1CCN(C)CC1 ZINC001157910501 801516966 /nfs/dbraw/zinc/51/69/66/801516966.db2.gz IENOQPOSUHQBKA-UHFFFAOYSA-N 0 3 278.316 0.892 20 5 CCBDHN COc1ncnc(N[C@@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159499781 801825308 /nfs/dbraw/zinc/82/53/08/801825308.db2.gz VNVVMQRKRRIAGK-JGVFFNPUSA-N 0 3 283.288 0.182 20 5 CCBDHN O=C(NCCC1=CCN(CCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160096929 801907550 /nfs/dbraw/zinc/90/75/50/801907550.db2.gz BANGQBWWUFJZPQ-VXGBXAGGSA-N 0 3 285.319 0.760 20 5 CCBDHN CS(=O)(=O)CCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162323627 802319359 /nfs/dbraw/zinc/31/93/59/802319359.db2.gz ODLAXRJMOOJVIH-UHFFFAOYSA-N 0 3 285.325 0.655 20 5 CCBDHN CNc1cc([N+](=O)[O-])cnc1-n1nc(CN)cc1C ZINC001163980297 802643425 /nfs/dbraw/zinc/64/34/25/802643425.db2.gz RFHPFDWSPRQHIR-UHFFFAOYSA-N 0 3 262.273 0.984 20 5 CCBDHN CN1CCC(Oc2cc[n+]([O-])cc2[N+](=O)[O-])CC1 ZINC001229453671 814955429 /nfs/dbraw/zinc/95/54/29/814955429.db2.gz GNCSLGHSCIMPLH-UHFFFAOYSA-N 0 3 253.258 0.701 20 5 CCBDHN O=[N+]([O-])c1cnc(O[C@@H]2CCC[NH2+]C2)c2[n-]cnc21 ZINC001218282934 803945562 /nfs/dbraw/zinc/94/55/62/803945562.db2.gz FRSHJRKNYFJUFQ-SSDOTTSWSA-N 0 3 263.257 0.997 20 5 CCBDHN CN1CCCC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001262809526 809413247 /nfs/dbraw/zinc/41/32/47/809413247.db2.gz HPNGWPHFNNEGSJ-SNVBAGLBSA-N 0 3 281.316 0.392 20 5 CCBDHN COc1cnc(-n2nc(CN)cc2C)cc1[N+](=O)[O-] ZINC001163979974 820482944 /nfs/dbraw/zinc/48/29/44/820482944.db2.gz LRKAOUAFWVBDDX-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN N=c1ncc(CN)cn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997268 836094348 /nfs/dbraw/zinc/09/43/48/836094348.db2.gz YIEXPHGTDOGKHF-WPRPVWTQSA-N 0 3 251.290 0.439 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@@H]3C[C@@H](CO)C[C@H]32)C1 ZINC001169012441 836098790 /nfs/dbraw/zinc/09/87/90/836098790.db2.gz QENUWQKLCSFAHZ-MBJXGIAVSA-N 0 3 284.356 0.904 20 5 CCBDHN NC(=O)[C@@H]1CCCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026787 836114939 /nfs/dbraw/zinc/11/49/39/836114939.db2.gz OBWRCSLTNSUSKW-AXFHLTTASA-N 0 3 255.318 0.772 20 5 CCBDHN COC(=O)C1(O)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046312 836116398 /nfs/dbraw/zinc/11/63/98/836116398.db2.gz KHOUIQFILGAZQT-WDEREUQCSA-N 0 3 286.328 0.432 20 5 CCBDHN C[C@H](Nc1nccc(N)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170567036 838128798 /nfs/dbraw/zinc/12/87/98/838128798.db2.gz BYMQZYBVHBRGMK-IONNQARKSA-N 0 3 267.289 0.361 20 5 CCBDHN COc1cnc(N[C@@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170574861 838161068 /nfs/dbraw/zinc/16/10/68/838161068.db2.gz XPUJFZYIMKGLAY-WCBMZHEXSA-N 0 3 282.300 0.787 20 5 CCBDHN C[C@@H](Nc1cc([N+](=O)[O-])c2nncn2c1)[C@@H]1CNCCO1 ZINC001170574937 838161838 /nfs/dbraw/zinc/16/18/38/838161838.db2.gz VFSLOYOYKYVJHM-KCJUWKMLSA-N 0 3 292.299 0.426 20 5 CCBDHN C[C@H](Nc1cc([N+](=O)[O-])ccn1)[C@H]1CNCCO1 ZINC001159489768 839303276 /nfs/dbraw/zinc/30/32/76/839303276.db2.gz RKAZQQSBQRFXIC-WCBMZHEXSA-N 0 3 252.274 0.779 20 5 CCBDHN CCn1cncc1CNCCn1cc([N+](=O)[O-])cn1 ZINC001201192073 847738650 /nfs/dbraw/zinc/73/86/50/847738650.db2.gz FZGIYBJAICYRJU-UHFFFAOYSA-N 0 3 264.289 0.798 20 5 CCBDHN O=C1NCCN1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000037668614 849213871 /nfs/dbraw/zinc/21/38/71/849213871.db2.gz IZQQJFIXOAMXKU-UHFFFAOYSA-N 0 3 264.285 0.710 20 5 CCBDHN CC(C)(C)CCN1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001484272539 896308847 /nfs/dbraw/zinc/30/88/47/896308847.db2.gz FURSMUDSMOOFJQ-GHMZBOCLSA-N 0 3 299.371 0.251 20 5 CCBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H](CO)[C@H](CO)C2)c1 ZINC001331627925 917462994 /nfs/dbraw/zinc/46/29/94/917462994.db2.gz FODGUUJJSKTRJZ-OBJOEFQTSA-N 0 3 296.323 0.161 20 5 CCBDHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001333342264 918819960 /nfs/dbraw/zinc/81/99/60/918819960.db2.gz JYGVILLQPREPNU-QMMMGPOBSA-N 0 3 288.329 0.124 20 5 CCBDHN CN1CCNC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001357274758 926506688 /nfs/dbraw/zinc/50/66/88/926506688.db2.gz XEHJFDBXZOWXSJ-CYBMUJFWSA-N 0 3 290.323 0.388 20 5 CCBDHN C[C@H]([NH3+])CO[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001357724823 926589507 /nfs/dbraw/zinc/58/95/07/926589507.db2.gz DAXJUCMTGZAKQG-LURJTMIESA-N 0 3 257.221 0.743 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599682658 361785190 /nfs/dbraw/zinc/78/51/90/361785190.db2.gz GSYAITUOMPTREJ-ZKYQVNSYSA-N 0 3 293.323 0.602 20 5 CCBDHN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599985258 361846572 /nfs/dbraw/zinc/84/65/72/361846572.db2.gz BCJIYSZHMIIBDR-UHFFFAOYSA-N 0 3 295.343 0.885 20 5 CCBDHN CN(C)[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000272497314 282200160 /nfs/dbraw/zinc/20/01/60/282200160.db2.gz SKRHZOSBDUDOCH-SECBINFHSA-N 0 3 278.312 0.953 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2COCCN2)c1 ZINC000600677793 362030913 /nfs/dbraw/zinc/03/09/13/362030913.db2.gz IHFXRWVACNUBOG-LLVKDONJSA-N 0 3 251.286 0.673 20 5 CCBDHN CN1CC[C@](O)(CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413239755 529810516 /nfs/dbraw/zinc/81/05/16/529810516.db2.gz UNKJEDQGCIJYRU-NSHDSACASA-N 0 3 270.264 0.607 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000317379563 260206513 /nfs/dbraw/zinc/20/65/13/260206513.db2.gz HIFWOLIHUPOQGN-WCQYABFASA-N 0 3 266.297 0.422 20 5 CCBDHN Cc1cc(NC[C@@]2(O)CCN(C)C2)ncc1[N+](=O)[O-] ZINC000358339403 232083541 /nfs/dbraw/zinc/08/35/41/232083541.db2.gz NTVBILJPOKERPO-LBPRGKRZSA-N 0 3 266.301 0.777 20 5 CCBDHN CN(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000602466691 362632854 /nfs/dbraw/zinc/63/28/54/362632854.db2.gz ZQMGEPBUEHQSSC-LBPRGKRZSA-N 0 3 279.344 0.997 20 5 CCBDHN COCCCN(C)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000119573891 349942730 /nfs/dbraw/zinc/94/27/30/349942730.db2.gz UXMKGUNPGISIME-UHFFFAOYSA-N 0 3 285.304 0.016 20 5 CCBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)CO ZINC000602837161 362826184 /nfs/dbraw/zinc/82/61/84/362826184.db2.gz KCWHESSIAWUQSS-SECBINFHSA-N 0 3 256.306 0.802 20 5 CCBDHN Cn1cc(CNC(C)(C)CN2CCOCC2)c([N+](=O)[O-])n1 ZINC000602843950 362833150 /nfs/dbraw/zinc/83/31/50/362833150.db2.gz MLZXDPUXFGONRL-UHFFFAOYSA-N 0 3 297.359 0.529 20 5 CCBDHN C[C@H]1C[C@H](CO)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000344170103 137180983 /nfs/dbraw/zinc/18/09/83/137180983.db2.gz PVKPXDQHEMFOOK-WDEREUQCSA-N 0 3 268.317 0.884 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000344049391 137175487 /nfs/dbraw/zinc/17/54/87/137175487.db2.gz KNDRKORFQZLAQX-DLOVCJGASA-N 0 3 266.301 0.494 20 5 CCBDHN NCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000008418486 348012978 /nfs/dbraw/zinc/01/29/78/348012978.db2.gz JJIPFURGTDZUHD-UHFFFAOYSA-N 0 3 264.285 0.202 20 5 CCBDHN COC(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000346693780 137300063 /nfs/dbraw/zinc/30/00/63/137300063.db2.gz PQHXPUGGOFVLAJ-ONGXEEELSA-N 0 3 282.300 0.675 20 5 CCBDHN C[C@H](O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963688 362911456 /nfs/dbraw/zinc/91/14/56/362911456.db2.gz YLZSLFJEDNIABX-CABZTGNLSA-N 0 3 254.286 0.773 20 5 CCBDHN CN[C@@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054076073 348541566 /nfs/dbraw/zinc/54/15/66/348541566.db2.gz LHJDSLUBSHPLSB-VIFPVBQESA-N 0 3 251.286 0.861 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000068421208 348809776 /nfs/dbraw/zinc/80/97/76/348809776.db2.gz PNHYTGFTTLUNKU-NSHDSACASA-N 0 3 295.343 0.700 20 5 CCBDHN CN(C)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000078386213 349137506 /nfs/dbraw/zinc/13/75/06/349137506.db2.gz XNXHFAKJNYBHOV-UHFFFAOYSA-N 0 3 263.253 0.752 20 5 CCBDHN CNC(=O)c1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000080685320 349225837 /nfs/dbraw/zinc/22/58/37/349225837.db2.gz BHHZJHCTSDZXFA-UHFFFAOYSA-N 0 3 280.328 0.952 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCCN1CCN(C)CC1 ZINC000130708986 350246746 /nfs/dbraw/zinc/24/67/46/350246746.db2.gz HUSDKGRPMQKIHZ-UHFFFAOYSA-N 0 3 267.333 0.737 20 5 CCBDHN CC[C@](C)(NCCn1ccc([N+](=O)[O-])n1)C(N)=O ZINC000133234044 350329274 /nfs/dbraw/zinc/32/92/74/350329274.db2.gz RMESMRKARKSZTC-JTQLQIEISA-N 0 3 255.278 0.035 20 5 CCBDHN C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000271372242 191103443 /nfs/dbraw/zinc/10/34/43/191103443.db2.gz HZUIGAOZPBPBRE-MRVPVSSYSA-N 0 3 281.316 0.541 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000144689287 350463746 /nfs/dbraw/zinc/46/37/46/350463746.db2.gz QMSQNRMYFPJFPI-UHFFFAOYSA-N 0 3 266.301 0.759 20 5 CCBDHN CN(C[C@H]1CCN(C)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152627685 350536017 /nfs/dbraw/zinc/53/60/17/350536017.db2.gz DYNDCFRBQFGSDU-QMMMGPOBSA-N 0 3 267.289 0.342 20 5 CCBDHN CN1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000109992107 186281963 /nfs/dbraw/zinc/28/19/63/186281963.db2.gz DGGBZCSZEAKWAW-MRVPVSSYSA-N 0 3 296.302 0.998 20 5 CCBDHN C[C@H](CN1CCCCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000161893749 350730881 /nfs/dbraw/zinc/73/08/81/350730881.db2.gz JNQMBARLURYTFK-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111304482 186393967 /nfs/dbraw/zinc/39/39/67/186393967.db2.gz KCUIOFLTFKCWQD-MRVPVSSYSA-N 0 3 273.314 0.610 20 5 CCBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000171138757 350889029 /nfs/dbraw/zinc/88/90/29/350889029.db2.gz KOJSWAOXRVMDBY-UHFFFAOYSA-N 0 3 271.273 0.496 20 5 CCBDHN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(C)C1 ZINC000172757669 351008711 /nfs/dbraw/zinc/00/87/11/351008711.db2.gz YTDMGOLAPGRYCZ-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN CC(C)(O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174844435 351107117 /nfs/dbraw/zinc/10/71/17/351107117.db2.gz CIEFXCYSPKISNE-UHFFFAOYSA-N 0 3 297.359 0.180 20 5 CCBDHN CC(C)(C)[C@H](NCCn1ccc([N+](=O)[O-])n1)C(N)=O ZINC000176235263 351163258 /nfs/dbraw/zinc/16/32/58/351163258.db2.gz VHWHJLVXKMRTRX-SECBINFHSA-N 0 3 269.305 0.281 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC1(O)CCOCC1 ZINC000189793320 351702986 /nfs/dbraw/zinc/70/29/86/351702986.db2.gz HHLBHBFUESOLMF-UHFFFAOYSA-N 0 3 284.316 0.265 20 5 CCBDHN COCCNCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000212406902 351929736 /nfs/dbraw/zinc/92/97/36/351929736.db2.gz CLWJRGSIVBIKKR-VOTSOKGWSA-N 0 3 293.323 0.960 20 5 CCBDHN CO[C@@H](CN)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000227381057 352049380 /nfs/dbraw/zinc/04/93/80/352049380.db2.gz IRNZCUTXKCSOSH-JTQLQIEISA-N 0 3 253.258 0.185 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](CO)C2)c1 ZINC000247050229 352394785 /nfs/dbraw/zinc/39/47/85/352394785.db2.gz WWZSSYLAFWGFKK-DGCLKSJQSA-N 0 3 296.323 0.649 20 5 CCBDHN CN(C)C1(CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000419009210 234287283 /nfs/dbraw/zinc/28/72/83/234287283.db2.gz NAAXEZUUILLIAL-UHFFFAOYSA-N 0 3 252.278 0.303 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000287313475 353637639 /nfs/dbraw/zinc/63/76/39/353637639.db2.gz WKQCFVNWGKPGIT-VIFPVBQESA-N 0 3 269.305 0.248 20 5 CCBDHN Cc1nc(NC[C@H](O)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000296256623 353938724 /nfs/dbraw/zinc/93/87/24/353938724.db2.gz FZLLRGRNMBWEQI-NSHDSACASA-N 0 3 295.343 0.952 20 5 CCBDHN CCOC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304287285 354110881 /nfs/dbraw/zinc/11/08/81/354110881.db2.gz FVAXGWKTRZJOHF-LBPRGKRZSA-N 0 3 298.343 0.653 20 5 CCBDHN Cc1ccoc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000312730697 354209740 /nfs/dbraw/zinc/20/97/40/354209740.db2.gz SLCJNNQFUXKOSV-LLVKDONJSA-N 0 3 280.284 0.843 20 5 CCBDHN Cc1c(CC(=O)NC[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423996013 235136528 /nfs/dbraw/zinc/13/65/28/235136528.db2.gz VTSRAWBMFAIBRG-LBPRGKRZSA-N 0 3 293.323 0.550 20 5 CCBDHN Cc1nn(C)c(C(=O)NCCN2CCCC2)c1[N+](=O)[O-] ZINC000352925332 356112729 /nfs/dbraw/zinc/11/27/29/356112729.db2.gz OGJKHGBYDODNDF-UHFFFAOYSA-N 0 3 281.316 0.462 20 5 CCBDHN CN(C)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000354595012 356448286 /nfs/dbraw/zinc/44/82/86/356448286.db2.gz FERGQXJANJBEDV-NSHDSACASA-N 0 3 281.316 0.542 20 5 CCBDHN CN(C)[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1O ZINC000450539550 236095173 /nfs/dbraw/zinc/09/51/73/236095173.db2.gz LJABZGFSZZGCFG-UWVGGRQHSA-N 0 3 252.274 0.101 20 5 CCBDHN Cc1nn(C)c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408130594 357930146 /nfs/dbraw/zinc/93/01/46/357930146.db2.gz VTERLYMJICLVBC-WPRPVWTQSA-N 0 3 295.343 0.849 20 5 CCBDHN CN1CCC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000561409827 291128751 /nfs/dbraw/zinc/12/87/51/291128751.db2.gz LZAHEVICUDLROX-SECBINFHSA-N 0 3 293.327 0.842 20 5 CCBDHN CC[C@@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000570329917 358846504 /nfs/dbraw/zinc/84/65/04/358846504.db2.gz PJIGYPQUHHZPEL-MRVPVSSYSA-N 0 3 263.257 0.569 20 5 CCBDHN CC(C)(CN1CCCC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000562780084 291167279 /nfs/dbraw/zinc/16/72/79/291167279.db2.gz OQBLHEIQGRYRNB-UHFFFAOYSA-N 0 3 281.316 0.922 20 5 CCBDHN CN(C[C@H]1CCCN1C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000574030970 359020995 /nfs/dbraw/zinc/02/09/95/359020995.db2.gz GXLJFGJNNFRUGD-MRVPVSSYSA-N 0 3 267.289 0.484 20 5 CCBDHN Cc1cccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000579853627 359055258 /nfs/dbraw/zinc/05/52/58/359055258.db2.gz WXGKKVUVZVNHIK-MNOVXSKESA-N 0 3 290.323 0.651 20 5 CCBDHN COC(=O)c1cnc(N[C@@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000589101845 359358787 /nfs/dbraw/zinc/35/87/87/359358787.db2.gz NVKVEECRUJFRKV-SECBINFHSA-N 0 3 298.299 0.111 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000588863824 359343066 /nfs/dbraw/zinc/34/30/66/359343066.db2.gz WQTYBUVEMKKURH-MRVPVSSYSA-N 0 3 285.275 0.386 20 5 CCBDHN CCc1n[nH]c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590444423 359467119 /nfs/dbraw/zinc/46/71/19/359467119.db2.gz LOIYGABROVTVIQ-PSASIEDQSA-N 0 3 293.327 0.656 20 5 CCBDHN CCc1[nH]nc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590444423 359467121 /nfs/dbraw/zinc/46/71/21/359467121.db2.gz LOIYGABROVTVIQ-PSASIEDQSA-N 0 3 293.327 0.656 20 5 CCBDHN Cc1nc(N2CCNC[C@@](C)(F)C2)ncc1[N+](=O)[O-] ZINC000591442069 359592808 /nfs/dbraw/zinc/59/28/08/359592808.db2.gz AFTSVBYONGGUPI-LLVKDONJSA-N 0 3 269.280 0.831 20 5 CCBDHN Cc1nc(N2C[C@@H](C)NC[C@H]2C)ncc1[N+](=O)[O-] ZINC000591433919 359591619 /nfs/dbraw/zinc/59/16/19/359591619.db2.gz ORDUNSMCLGVIID-HTQZYQBOSA-N 0 3 251.290 0.880 20 5 CCBDHN COC(=O)[C@@H]1CNCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000592491929 359855866 /nfs/dbraw/zinc/85/58/66/359855866.db2.gz OJSDCKXRHHINKE-ZDUSSCGKSA-N 0 3 293.323 0.932 20 5 CCBDHN O=[N+]([O-])c1cccc(F)c1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594028042 360238520 /nfs/dbraw/zinc/23/85/20/360238520.db2.gz ZOIOYTBQKPQLDB-WDEREUQCSA-N 0 3 295.314 0.985 20 5 CCBDHN COC(=O)c1cccc(OC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC000594696854 360361582 /nfs/dbraw/zinc/36/15/82/360361582.db2.gz RWFJACRGAWYPCT-SECBINFHSA-N 0 3 296.279 0.749 20 5 CCBDHN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595114335 360438693 /nfs/dbraw/zinc/43/86/93/360438693.db2.gz WWKYXZFUISITSD-HTQZYQBOSA-N 0 3 288.329 0.394 20 5 CCBDHN C[C@@H](O)[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000595765459 360645847 /nfs/dbraw/zinc/64/58/47/360645847.db2.gz HJNSFSSSIKUEMM-MWLCHTKSSA-N 0 3 254.290 0.637 20 5 CCBDHN O=c1[n-]ccc(NCCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000596085283 360790884 /nfs/dbraw/zinc/79/08/84/360790884.db2.gz LTHLZSXFONTZMV-UHFFFAOYSA-N 0 3 296.327 0.954 20 5 CCBDHN CN(C)[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1O ZINC000596242624 360850153 /nfs/dbraw/zinc/85/01/53/360850153.db2.gz ZUPZDGBHSCVABE-UWVGGRQHSA-N 0 3 286.719 0.754 20 5 CCBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C)C1 ZINC000597947415 361287911 /nfs/dbraw/zinc/28/79/11/361287911.db2.gz XYYLQCKWUGWQSC-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN CCCN1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000598341407 361391127 /nfs/dbraw/zinc/39/11/27/361391127.db2.gz AXYYNGVVRGRWCM-QMMMGPOBSA-N 0 3 267.289 0.532 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598571183 361447480 /nfs/dbraw/zinc/44/74/80/361447480.db2.gz HQQMDVSNBYZYAJ-VIFPVBQESA-N 0 3 281.316 0.696 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598571183 361447485 /nfs/dbraw/zinc/44/74/85/361447485.db2.gz HQQMDVSNBYZYAJ-VIFPVBQESA-N 0 3 281.316 0.696 20 5 CCBDHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000598648949 361472019 /nfs/dbraw/zinc/47/20/19/361472019.db2.gz JEQBSKLZBBJPOZ-MDZLAQPJSA-N 0 3 298.343 0.103 20 5 CCBDHN CN(CCc1ccccc1[N+](=O)[O-])c1nc(N)nc(N)n1 ZINC000599079874 361566862 /nfs/dbraw/zinc/56/68/62/361566862.db2.gz FUXXZHYBONIEKL-UHFFFAOYSA-N 0 3 289.299 0.284 20 5 CCBDHN O=[N+]([O-])c1ccccc1CNCCN1CC[C@@H](O)C1 ZINC000599007185 361552998 /nfs/dbraw/zinc/55/29/98/361552998.db2.gz BVYRURWMJYJVBY-GFCCVEGCSA-N 0 3 265.313 0.751 20 5 CCBDHN CC(C)[C@@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000564991884 291332727 /nfs/dbraw/zinc/33/27/27/291332727.db2.gz BMPIYCALTMHJKI-GFCCVEGCSA-N 0 3 278.312 0.858 20 5 CCBDHN O=C(C[C@H]1CNCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000269219725 283871246 /nfs/dbraw/zinc/87/12/46/283871246.db2.gz ZLAFMPPCXTWDSR-LBPRGKRZSA-N 0 3 291.307 0.862 20 5 CCBDHN CC1(C)[C@H](O)C[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000566424959 291403242 /nfs/dbraw/zinc/40/32/42/291403242.db2.gz STIXUPNEVSPBSR-WDEREUQCSA-N 0 3 281.312 0.506 20 5 CCBDHN COCCOCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000289050856 197221988 /nfs/dbraw/zinc/22/19/88/197221988.db2.gz QLBNEODFOYLXOQ-UHFFFAOYSA-N 0 3 272.305 0.386 20 5 CCBDHN CNc1nc(C(=O)NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000455663639 533076988 /nfs/dbraw/zinc/07/69/88/533076988.db2.gz LYSAPEIZNXZZJC-VIFPVBQESA-N 0 3 293.327 0.856 20 5 CCBDHN CN(CCC(N)=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000286452452 388841669 /nfs/dbraw/zinc/84/16/69/388841669.db2.gz MLKAYNMXSAHFTJ-UHFFFAOYSA-N 0 3 251.286 0.945 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2)c1 ZINC000037873814 388849090 /nfs/dbraw/zinc/84/90/90/388849090.db2.gz YFIXOYDLGJNVAY-CYBMUJFWSA-N 0 3 276.296 0.942 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1N1CCCN(CCO)CC1 ZINC000071349744 388957671 /nfs/dbraw/zinc/95/76/71/388957671.db2.gz ZRPZJUJQXMAQQB-UHFFFAOYSA-N 0 3 280.328 0.803 20 5 CCBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N(C)C ZINC000298453958 389022005 /nfs/dbraw/zinc/02/20/05/389022005.db2.gz HWPUGPALCBYKTO-ZETCQYMHSA-N 0 3 267.289 0.451 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCCC1 ZINC000195455898 389127275 /nfs/dbraw/zinc/12/72/75/389127275.db2.gz DYRAFEJTLQZMOF-UHFFFAOYSA-N 0 3 295.343 0.702 20 5 CCBDHN CN1CC[C@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000269101315 389402600 /nfs/dbraw/zinc/40/26/00/389402600.db2.gz RXBMEWPFBLBJLI-ZJUUUORDSA-N 0 3 292.343 0.888 20 5 CCBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@]1(F)CCNC1 ZINC000370779907 389411978 /nfs/dbraw/zinc/41/19/78/389411978.db2.gz LTZBNJQRTNPJON-ZDUSSCGKSA-N 0 3 281.287 0.955 20 5 CCBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO1 ZINC000266565768 389365519 /nfs/dbraw/zinc/36/55/19/389365519.db2.gz ZQZLTDFABYAJBT-VXGBXAGGSA-N 0 3 284.316 0.263 20 5 CCBDHN CN1CCNC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000414961019 389648045 /nfs/dbraw/zinc/64/80/45/389648045.db2.gz HTJNNLNJONKEGY-CYBMUJFWSA-N 0 3 264.329 0.588 20 5 CCBDHN COCCNCCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000423485070 389594191 /nfs/dbraw/zinc/59/41/91/389594191.db2.gz UVPDXABQKQNGEU-UHFFFAOYSA-N 0 3 295.339 0.798 20 5 CCBDHN C[C@@H]1CN(C)[C@@H](C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000351960214 389725806 /nfs/dbraw/zinc/72/58/06/389725806.db2.gz SPQOKKWDIYPYFB-WDEREUQCSA-N 0 3 267.333 0.816 20 5 CCBDHN Cc1c(NC(=O)COC2CNC2)cccc1[N+](=O)[O-] ZINC000429754461 389769261 /nfs/dbraw/zinc/76/92/61/389769261.db2.gz VFGSAPJEJUDBEA-UHFFFAOYSA-N 0 3 265.269 0.830 20 5 CCBDHN N[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000429097758 389737109 /nfs/dbraw/zinc/73/71/09/389737109.db2.gz IJPWKJRYBGOXBI-JTQLQIEISA-N 0 3 290.283 0.003 20 5 CCBDHN C[C@@H]1[C@@H](CO)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000488765249 390095969 /nfs/dbraw/zinc/09/59/69/390095969.db2.gz HSBBLNMRWDVFQY-NXEZZACHSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCCC1 ZINC000535004138 390133293 /nfs/dbraw/zinc/13/32/93/390133293.db2.gz BQNSLWFODIBYGM-QMMMGPOBSA-N 0 3 267.289 0.532 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN[C@@H](C)[C@@H]2C)n1 ZINC000583565702 390293398 /nfs/dbraw/zinc/29/33/98/390293398.db2.gz JPQGCJISWSEWBC-IUCAKERBSA-N 0 3 281.316 0.634 20 5 CCBDHN CN(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000572049038 390765938 /nfs/dbraw/zinc/76/59/38/390765938.db2.gz MPXHBOLOFSYKHL-STQMWFEESA-N 0 3 293.323 0.271 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000572539868 390788453 /nfs/dbraw/zinc/78/84/53/390788453.db2.gz OEJPXAOMBMCQBL-QMMMGPOBSA-N 0 3 279.300 0.226 20 5 CCBDHN Cc1nc(NC[C@@H]2CCCCN2CCO)ccc1[N+](=O)[O-] ZINC000450609655 533599328 /nfs/dbraw/zinc/59/93/28/533599328.db2.gz FPGILEMKKMKRNA-LBPRGKRZSA-N 0 3 294.355 0.979 20 5 CCBDHN C[C@@H]1C[C@H](O)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341756829 130024067 /nfs/dbraw/zinc/02/40/67/130024067.db2.gz VKZDFFDOKCMRLB-KOLCDFICSA-N 0 3 267.285 0.212 20 5 CCBDHN CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])nn2C)CCC1 ZINC000341958959 130174472 /nfs/dbraw/zinc/17/44/72/130174472.db2.gz IUOUSYKMQJVECR-UHFFFAOYSA-N 0 3 281.316 0.542 20 5 CCBDHN N[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000261606606 131156535 /nfs/dbraw/zinc/15/65/35/131156535.db2.gz ATQHJKZBVLTPKT-CYBMUJFWSA-N 0 3 293.323 0.965 20 5 CCBDHN CN(CCNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000357186017 144067707 /nfs/dbraw/zinc/06/77/07/144067707.db2.gz KDMBBEMNNWBPSG-UHFFFAOYSA-N 0 3 279.300 0.595 20 5 CCBDHN C[C@@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000357497102 144096830 /nfs/dbraw/zinc/09/68/30/144096830.db2.gz ABJDZGYJFUVSPX-BDAKNGLRSA-N 0 3 293.327 0.983 20 5 CCBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548955363 286081927 /nfs/dbraw/zinc/08/19/27/286081927.db2.gz DQIRSXUYBQDBJP-SECBINFHSA-N 0 3 281.316 0.732 20 5 CCBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285282438 196240603 /nfs/dbraw/zinc/24/06/03/196240603.db2.gz URHKBCZAZHFGMF-UHFFFAOYSA-N 0 3 281.316 0.780 20 5 CCBDHN CN(CCN(C)C1CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285520871 196313622 /nfs/dbraw/zinc/31/36/22/196313622.db2.gz ACBBNKXVXLAIOA-UHFFFAOYSA-N 0 3 267.289 0.484 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000044668520 175226702 /nfs/dbraw/zinc/22/67/02/175226702.db2.gz IUJDIQHOZWWLON-SNVBAGLBSA-N 0 3 281.316 0.392 20 5 CCBDHN CCN1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000264682991 276165007 /nfs/dbraw/zinc/16/50/07/276165007.db2.gz XKLFXEUFIMDQRL-UHFFFAOYSA-N 0 3 253.306 0.860 20 5 CCBDHN C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000454726613 533961387 /nfs/dbraw/zinc/96/13/87/533961387.db2.gz ZLZJRPSCMKEXTD-VIFPVBQESA-N 0 3 284.320 0.041 20 5 CCBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000183957279 521110775 /nfs/dbraw/zinc/11/07/75/521110775.db2.gz DSRPQRQXRMDVCS-UHFFFAOYSA-N 0 3 295.339 0.947 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347521016 536375374 /nfs/dbraw/zinc/37/53/74/536375374.db2.gz MBNJKHLYSZCFNS-MRVPVSSYSA-N 0 3 267.289 0.152 20 5 CCBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000766981561 581591867 /nfs/dbraw/zinc/59/18/67/581591867.db2.gz ZVPRZZMRHLGPBG-SECBINFHSA-N 0 3 283.332 0.644 20 5 CCBDHN O=C(CN[C@@H](CO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000763077946 581984446 /nfs/dbraw/zinc/98/44/46/581984446.db2.gz CIERYIRMGKLJCI-NSHDSACASA-N 0 3 279.296 0.894 20 5 CCBDHN CNC(=O)[C@@H](C)CN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592020 582082808 /nfs/dbraw/zinc/08/28/08/582082808.db2.gz OKVREUDXIZMVDY-GWCFXTLKSA-N 0 3 295.339 0.942 20 5 CCBDHN COc1cc([N+](=O)[O-])cn(C[C@H]2CCCN2C)c1=O ZINC000918455970 617217498 /nfs/dbraw/zinc/21/74/98/617217498.db2.gz NCVTXQHXTGQYCG-SECBINFHSA-N 0 3 267.285 0.859 20 5 CCBDHN CC(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813110486 613863923 /nfs/dbraw/zinc/86/39/23/613863923.db2.gz BQNKYTPQLQBVIG-WPRPVWTQSA-N 0 3 258.274 0.453 20 5 CCBDHN CC(C)CN1N=C(C(=O)OCC(C)[N+](=O)[O-])CCC1=O ZINC000813113600 614134476 /nfs/dbraw/zinc/13/44/76/614134476.db2.gz GTXALHKHQHHSCR-VIFPVBQESA-N 0 3 285.300 0.829 20 5 CCBDHN CCC(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813107245 614578859 /nfs/dbraw/zinc/57/88/59/614578859.db2.gz NNABJAMJQIZXSW-ZJUUUORDSA-N 0 3 272.301 0.843 20 5 CCBDHN CCN1CCCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000932353117 615118050 /nfs/dbraw/zinc/11/80/50/615118050.db2.gz JQRFETHRRPVDTA-UHFFFAOYSA-N 0 3 295.343 0.654 20 5 CCBDHN CCO[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@H]1CCOC1 ZINC000870377682 615475449 /nfs/dbraw/zinc/47/54/49/615475449.db2.gz SAZHPAMGZWUKKR-GUBZILKMSA-N 0 3 261.274 0.636 20 5 CCBDHN CN(CCO)CCN(C)c1ncc([N+](=O)[O-])cc1F ZINC000894592404 616102828 /nfs/dbraw/zinc/10/28/28/616102828.db2.gz XCNHPNICRKPFRU-UHFFFAOYSA-N 0 3 272.280 0.489 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874833246 616216976 /nfs/dbraw/zinc/21/69/76/616216976.db2.gz LGAWWEWNLWFBBC-ZJUUUORDSA-N 0 3 293.327 0.637 20 5 CCBDHN Cn1cc(CN2CCN(C)CCN(C)CC2)c([N+](=O)[O-])n1 ZINC000933994173 616236921 /nfs/dbraw/zinc/23/69/21/616236921.db2.gz TYVOMOWKHUROSE-UHFFFAOYSA-N 0 3 296.375 0.008 20 5 CCBDHN COCCN1CCC[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000892303188 616349604 /nfs/dbraw/zinc/34/96/04/616349604.db2.gz DXZSJSGAIXNCKN-SNVBAGLBSA-N 0 3 283.332 0.851 20 5 CCBDHN COCCOc1ncccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103257 616599652 /nfs/dbraw/zinc/59/96/52/616599652.db2.gz BFJSYLJCZPBNNZ-VIFPVBQESA-N 0 3 284.268 0.929 20 5 CCBDHN O=[N+]([O-])c1ccnn1CN1CC[C@@H]2[C@H]1CCCN2CCO ZINC000902644649 634428615 /nfs/dbraw/zinc/42/86/15/634428615.db2.gz QCJXBMDLLTVKPC-VXGBXAGGSA-N 0 3 295.343 0.280 20 5 CCBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000928443943 631850235 /nfs/dbraw/zinc/85/02/35/631850235.db2.gz WQWARWOVMIWONL-WCBMZHEXSA-N 0 3 264.285 0.812 20 5 CCBDHN Cc1cc(C(=O)N(C)CCN(C)CCO)ccc1[N+](=O)[O-] ZINC000912611125 636620707 /nfs/dbraw/zinc/62/07/07/636620707.db2.gz KPMZBRBGNPNRRY-UHFFFAOYSA-N 0 3 295.339 0.899 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920102 636703094 /nfs/dbraw/zinc/70/30/94/636703094.db2.gz RISVPXMTUPLOOW-VIFPVBQESA-N 0 3 264.285 0.843 20 5 CCBDHN C[C@H](O)CN(CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000810040527 640922009 /nfs/dbraw/zinc/92/20/09/640922009.db2.gz UFWNTRXWXRKVRO-GWCFXTLKSA-N 0 3 284.312 0.303 20 5 CCBDHN CC(COC(=O)c1ccc(-n2cnnn2)cc1)[N+](=O)[O-] ZINC000813104832 641022287 /nfs/dbraw/zinc/02/22/87/641022287.db2.gz SDSXBHJHTLWTSH-MRVPVSSYSA-N 0 3 277.240 0.484 20 5 CCBDHN CC(COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)[N+](=O)[O-] ZINC000813109631 641023688 /nfs/dbraw/zinc/02/36/88/641023688.db2.gz NHIGKYLSOHWPNP-RQJHMYQMSA-N 0 3 298.217 0.606 20 5 CCBDHN COc1c(C(=O)OCC(C)[N+](=O)[O-])c(C)nn1C ZINC000813110633 641024688 /nfs/dbraw/zinc/02/46/88/641024688.db2.gz GBCAYMMOTPCWOD-ZCFIWIBFSA-N 0 3 257.246 0.559 20 5 CCBDHN CC(COC(=O)c1c2n(c(=O)n1C)CCCC2)[N+](=O)[O-] ZINC000835454313 642663559 /nfs/dbraw/zinc/66/35/59/642663559.db2.gz IUIRZXZBUHHKHL-QMMMGPOBSA-N 0 3 283.284 0.345 20 5 CCBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)c2ccccn2)c1 ZINC000853103593 644075411 /nfs/dbraw/zinc/07/54/11/644075411.db2.gz OEFICMZQCQWBBZ-GFCCVEGCSA-N 0 3 277.284 0.510 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CNCCO2)c1C ZINC000884339767 647712820 /nfs/dbraw/zinc/71/28/20/647712820.db2.gz WSHHRSRSPMMICP-NSHDSACASA-N 0 3 293.323 0.930 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000930672100 648888486 /nfs/dbraw/zinc/88/84/86/648888486.db2.gz GHZJXICGIRYSCQ-JTQLQIEISA-N 0 3 293.327 0.453 20 5 CCBDHN O=[N+]([O-])c1cnn(CN2CCN(CC3CC3)CC2)c1 ZINC000077446722 649442474 /nfs/dbraw/zinc/44/24/74/649442474.db2.gz FXHSFZYXSSJBLW-UHFFFAOYSA-N 0 3 265.317 0.776 20 5 CCBDHN CN1CC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230225421 805586777 /nfs/dbraw/zinc/58/67/77/805586777.db2.gz UDDUNVXDKNOKNQ-ZETCQYMHSA-N 0 3 263.257 0.949 20 5 CCBDHN C[C@@H]([NH3+])CO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001122020777 799124866 /nfs/dbraw/zinc/12/48/66/799124866.db2.gz BDINXDKYMQYNCZ-MRVPVSSYSA-N 0 3 253.258 0.532 20 5 CCBDHN O=C(OCCC[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC001123123912 799359651 /nfs/dbraw/zinc/35/96/51/799359651.db2.gz ZGULQGRNERWKBP-JTQLQIEISA-N 0 3 270.285 0.597 20 5 CCBDHN CN(C)CCONC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001161774660 802221339 /nfs/dbraw/zinc/22/13/39/802221339.db2.gz XLBTWIAZMZJLJC-UHFFFAOYSA-N 0 3 277.668 0.194 20 5 CCBDHN O=[N+]([O-])c1ccc(NCc2nnn3c2CNCCC3)nc1 ZINC001162965884 802445447 /nfs/dbraw/zinc/44/54/47/802445447.db2.gz BASAMRWCQBGVBT-UHFFFAOYSA-N 0 3 289.299 0.687 20 5 CCBDHN CCN(CC)CCNC(=N)Nc1nc(C)ncc1[N+](=O)[O-] ZINC001163125781 802487143 /nfs/dbraw/zinc/48/71/43/802487143.db2.gz JXIPIYVSKCZFSM-UHFFFAOYSA-N 0 3 295.347 0.971 20 5 CCBDHN COc1nc(C)nc(-n2nc(CN)cc2C)c1[N+](=O)[O-] ZINC001163977451 802643230 /nfs/dbraw/zinc/64/32/30/802643230.db2.gz AYGWGHZWWVCTNT-UHFFFAOYSA-N 0 3 278.272 0.655 20 5 CCBDHN Cc1cc(CN)nn1-c1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001163978262 802643269 /nfs/dbraw/zinc/64/32/69/802643269.db2.gz VEDVJDOLYQPCMK-UHFFFAOYSA-N 0 3 276.256 0.042 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1N(C)S(=O)(=O)CCN ZINC001164296326 802710634 /nfs/dbraw/zinc/71/06/34/802710634.db2.gz FOTBAZYTUUDYAB-UHFFFAOYSA-N 0 3 273.314 0.628 20 5 CCBDHN C[N@@H+]1[C@@H]2C[C@@H](Oc3nc[n-]c(=O)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228142218 805418582 /nfs/dbraw/zinc/41/85/82/805418582.db2.gz BCTGTZOPCNVVPJ-NBEYISGCSA-N 0 3 294.267 0.273 20 5 CCBDHN C[N@H+]1[C@@H]2C[C@@H](Oc3nc[n-]c(=O)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228142218 805418586 /nfs/dbraw/zinc/41/85/86/805418586.db2.gz BCTGTZOPCNVVPJ-NBEYISGCSA-N 0 3 294.267 0.273 20 5 CCBDHN CC(C)(N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254575756 808263080 /nfs/dbraw/zinc/26/30/80/808263080.db2.gz SZKVXVUWMRBGTH-SNVBAGLBSA-N 0 3 263.297 0.916 20 5 CCBDHN Nc1nc(-n2ncc3c2CCNC3)ccc1[N+](=O)[O-] ZINC001165218675 821036031 /nfs/dbraw/zinc/03/60/31/821036031.db2.gz IQWSYYKSMLSXKJ-UHFFFAOYSA-N 0 3 260.257 0.403 20 5 CCBDHN CN(c1cc(Cl)ncc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001156231683 836042562 /nfs/dbraw/zinc/04/25/62/836042562.db2.gz MTOIVANGITXAPE-UHFFFAOYSA-N 0 3 294.720 0.368 20 5 CCBDHN COC(=O)Cc1ccc(-n2nncc2CN)cc1[N+](=O)[O-] ZINC001169311874 836191546 /nfs/dbraw/zinc/19/15/46/836191546.db2.gz HASARJLELNLBEW-UHFFFAOYSA-N 0 3 291.267 0.350 20 5 CCBDHN COc1ccc(C[C@@H](C)NCC(N)=O)c([N+](=O)[O-])c1 ZINC001170294603 837286718 /nfs/dbraw/zinc/28/67/18/837286718.db2.gz BTMLSWDOTICFOT-MRVPVSSYSA-N 0 3 267.285 0.609 20 5 CCBDHN COc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1CNCCO1 ZINC001170559708 838087936 /nfs/dbraw/zinc/08/79/36/838087936.db2.gz ZQBJDKZJORNZOO-LDYMZIIASA-N 0 3 282.300 0.787 20 5 CCBDHN COc1nc(C)nc(N[C@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170560917 838101332 /nfs/dbraw/zinc/10/13/32/838101332.db2.gz AYKNDEXVULNPTL-VXNVDRBHSA-N 0 3 297.315 0.491 20 5 CCBDHN C[C@@H](Nc1cnc(F)c([N+](=O)[O-])c1)[C@H]1CNCCO1 ZINC001170575863 838163206 /nfs/dbraw/zinc/16/32/06/838163206.db2.gz XNJFVIGRWXAKEW-GMSGAONNSA-N 0 3 270.264 0.918 20 5 CCBDHN Cc1nn2cccnc2c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102210 838676929 /nfs/dbraw/zinc/67/69/29/838676929.db2.gz PGWNSWGIOXVTQQ-ZETCQYMHSA-N 0 3 264.241 0.860 20 5 CCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H](CO)[C@H](CO)C2)c1 ZINC001197154781 846859693 /nfs/dbraw/zinc/85/96/93/846859693.db2.gz FODGUUJJSKTRJZ-MBNYWOFBSA-N 0 3 296.323 0.161 20 5 CCBDHN CCN1CCN(CCNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001118517134 856326271 /nfs/dbraw/zinc/32/62/71/856326271.db2.gz TXDXZMBSNQNMDS-UHFFFAOYSA-N 0 3 293.371 0.770 20 5 CCBDHN Cc1cncc([N+](=O)[O-])c1N[C@H]1CCN(CC(C)(C)O)C1 ZINC001118989289 856520215 /nfs/dbraw/zinc/52/02/15/856520215.db2.gz MXCPBFTZDIHPHI-NSHDSACASA-N 0 3 294.355 0.977 20 5 CCBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC001142103678 903749321 /nfs/dbraw/zinc/74/93/21/903749321.db2.gz QZMAVFWLXFLXET-SNVBAGLBSA-N 0 3 295.343 0.883 20 5 CCBDHN COCC[C@H](N)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331967776 917767847 /nfs/dbraw/zinc/76/78/47/917767847.db2.gz CEJAEOWLZJUPKF-LBPRGKRZSA-N 0 3 279.296 0.801 20 5 CCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CNCCN1C ZINC001339791095 921827976 /nfs/dbraw/zinc/82/79/76/921827976.db2.gz UJGSFUKHHOSVDH-ZDUSSCGKSA-N 0 3 292.339 0.457 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1N1CC(CN2CCN(C)CC2)C1 ZINC001343171548 923224352 /nfs/dbraw/zinc/22/43/52/923224352.db2.gz XHXWDJMGRDJDOP-UHFFFAOYSA-N 0 3 294.359 0.012 20 5 CCBDHN CC(=O)N[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC001343652372 923405908 /nfs/dbraw/zinc/40/59/08/923405908.db2.gz TZYCDBRKCFLNSY-LDYMZIIASA-N 0 3 260.290 0.746 20 5 CCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN(C)C ZINC001347786533 924537465 /nfs/dbraw/zinc/53/74/65/924537465.db2.gz XCMDDVHRUXUIEJ-SECBINFHSA-N 0 3 296.327 0.289 20 5 CCBDHN NC(=O)c1ccnc(NC[C@H]2CSCCN2)c1[N+](=O)[O-] ZINC001472868460 926179589 /nfs/dbraw/zinc/17/95/89/926179589.db2.gz ZVMBRAVDRQDHCS-ZETCQYMHSA-N 0 3 297.340 0.206 20 5 CCBDHN CC(C)CN1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001355415529 926255830 /nfs/dbraw/zinc/25/58/30/926255830.db2.gz JNZZPWHAFWNSNA-NSHDSACASA-N 0 3 296.375 0.931 20 5 CCBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000093332327 349537701 /nfs/dbraw/zinc/53/77/01/349537701.db2.gz YBCYYDGPKGZEHX-ZJUUUORDSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000093332328 349537927 /nfs/dbraw/zinc/53/79/27/349537927.db2.gz YBCYYDGPKGZEHX-UWVGGRQHSA-N 0 3 254.290 0.494 20 5 CCBDHN CC[C@@]1(O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000425912160 529573944 /nfs/dbraw/zinc/57/39/44/529573944.db2.gz CSDCUNHDEFALKZ-CYBMUJFWSA-N 0 3 281.312 0.603 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@H]2COCCN2)c1 ZINC000600677794 362031560 /nfs/dbraw/zinc/03/15/60/362031560.db2.gz IHFXRWVACNUBOG-NSHDSACASA-N 0 3 251.286 0.673 20 5 CCBDHN Cc1nn(C)c(C(=O)NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000112924255 349795260 /nfs/dbraw/zinc/79/52/60/349795260.db2.gz VVBLLYBQLCGHIH-SECBINFHSA-N 0 3 281.316 0.461 20 5 CCBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000115435817 349854953 /nfs/dbraw/zinc/85/49/53/349854953.db2.gz AZBFKNDYKHUGAL-NSHDSACASA-N 0 3 295.343 0.592 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000128086051 187350024 /nfs/dbraw/zinc/35/00/24/187350024.db2.gz GYXQZOMDBKIMDE-QMMMGPOBSA-N 0 3 267.289 0.532 20 5 CCBDHN Cc1c(NC(=O)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000118094322 349898094 /nfs/dbraw/zinc/89/80/94/349898094.db2.gz AYOZJAVTNRHHCT-UHFFFAOYSA-N 0 3 294.311 0.520 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCNCCOC ZINC000261612540 137012504 /nfs/dbraw/zinc/01/25/04/137012504.db2.gz SSPMKRDFRKHJBY-UHFFFAOYSA-N 0 3 271.321 0.768 20 5 CCBDHN NC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000261695633 137015865 /nfs/dbraw/zinc/01/58/65/137015865.db2.gz DLJYYQPUKHFHLT-UHFFFAOYSA-N 0 3 293.323 0.761 20 5 CCBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000037889263 348216289 /nfs/dbraw/zinc/21/62/89/348216289.db2.gz JSRPNYGFDYCJRI-PWSUYJOCSA-N 0 3 291.311 0.898 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H]1COCCO1 ZINC000602886278 362866438 /nfs/dbraw/zinc/86/64/38/362866438.db2.gz BCAJJUZBAHKWOX-NSHDSACASA-N 0 3 284.316 0.447 20 5 CCBDHN C[C@@]1(CO)C[C@@H](O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000602904192 362877471 /nfs/dbraw/zinc/87/74/71/362877471.db2.gz BQNKYENEVAHUPJ-OCCSQVGLSA-N 0 3 296.323 0.791 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)CN2CCOCC2)c1 ZINC000048462773 348410798 /nfs/dbraw/zinc/41/07/98/348410798.db2.gz JUASTLXCROGMLF-CQSZACIVSA-N 0 3 295.339 0.378 20 5 CCBDHN Cc1nn(C)c(N2C[C@@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000053712301 348533317 /nfs/dbraw/zinc/53/33/17/348533317.db2.gz OYYZUSCNOUTPLH-OCAPTIKFSA-N 0 3 253.306 0.823 20 5 CCBDHN CC1CCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000057213472 348603950 /nfs/dbraw/zinc/60/39/50/348603950.db2.gz YFAWDMKAUBVGDY-UHFFFAOYSA-N 0 3 296.331 0.034 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN(C)C1CC1 ZINC000066053569 348732169 /nfs/dbraw/zinc/73/21/69/348732169.db2.gz ZXWCBIKYYUNKHG-UHFFFAOYSA-N 0 3 281.316 0.310 20 5 CCBDHN Cc1c(C(=O)N2CCN(C)C[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000124331651 350095062 /nfs/dbraw/zinc/09/50/62/350095062.db2.gz BJHZNWVSWRPBIW-NSHDSACASA-N 0 3 292.339 0.618 20 5 CCBDHN O=C(C[C@H]1CNCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000091299279 180126212 /nfs/dbraw/zinc/12/62/12/180126212.db2.gz UEQQFBRRJVHRFK-NSHDSACASA-N 0 3 265.269 0.912 20 5 CCBDHN CCc1nn(C)c(NC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC000134265814 350359201 /nfs/dbraw/zinc/35/92/01/350359201.db2.gz SHDQSLGMPJLXOD-QMMMGPOBSA-N 0 3 269.305 0.291 20 5 CCBDHN CC[C@@](C)(NCCn1ccc([N+](=O)[O-])n1)C(N)=O ZINC000133234263 350330267 /nfs/dbraw/zinc/33/02/67/350330267.db2.gz RMESMRKARKSZTC-SNVBAGLBSA-N 0 3 255.278 0.035 20 5 CCBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@]1(F)CCNC1 ZINC000151093772 350492113 /nfs/dbraw/zinc/49/21/13/350492113.db2.gz XSUUPXXXSGUODW-LBPRGKRZSA-N 0 3 267.260 0.913 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000108904453 186235495 /nfs/dbraw/zinc/23/54/95/186235495.db2.gz QMTDYHDHZRLTIR-JTQLQIEISA-N 0 3 278.312 0.980 20 5 CCBDHN Cc1ccncc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000162778306 350752892 /nfs/dbraw/zinc/75/28/92/350752892.db2.gz WZMWWCUGFOAICO-ZDUSSCGKSA-N 0 3 291.311 0.645 20 5 CCBDHN CCN(CCCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000165424566 350789454 /nfs/dbraw/zinc/78/94/54/350789454.db2.gz XSZCTURUHUYJOE-UHFFFAOYSA-N 0 3 256.306 0.804 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C)(O)CC1 ZINC000168708616 350830166 /nfs/dbraw/zinc/83/01/66/350830166.db2.gz FTOLGWXYNMHZKR-UHFFFAOYSA-N 0 3 268.317 0.947 20 5 CCBDHN C[C@@H]1CSCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173783443 351054734 /nfs/dbraw/zinc/05/47/34/351054734.db2.gz XYCIPXAFKAVRMM-KOLCDFICSA-N 0 3 286.357 0.590 20 5 CCBDHN C[C@]1(O)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000124156120 187124252 /nfs/dbraw/zinc/12/42/52/187124252.db2.gz WRLCHICBPNKJAJ-ZDUSSCGKSA-N 0 3 281.312 0.603 20 5 CCBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230708977 352118875 /nfs/dbraw/zinc/11/88/75/352118875.db2.gz LENYOUWPQWPZFO-UHFFFAOYSA-N 0 3 295.343 0.986 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000228752998 352083563 /nfs/dbraw/zinc/08/35/63/352083563.db2.gz WZNIOWGQUXACDC-ZDUSSCGKSA-N 0 3 299.302 0.776 20 5 CCBDHN CN(C[C@H]1CCCN(C)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000265258596 352629068 /nfs/dbraw/zinc/62/90/68/352629068.db2.gz XWWASQQORWJTNX-VIFPVBQESA-N 0 3 280.332 0.745 20 5 CCBDHN COC[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266928297 352733614 /nfs/dbraw/zinc/73/36/14/352733614.db2.gz LAUBDASIEKOBGG-SNVBAGLBSA-N 0 3 254.290 0.760 20 5 CCBDHN COCCCN(CCOC)CCn1ccc([N+](=O)[O-])n1 ZINC000267104089 352744077 /nfs/dbraw/zinc/74/40/77/352744077.db2.gz UZGLZKPYKZSBLF-UHFFFAOYSA-N 0 3 286.332 0.776 20 5 CCBDHN CCN(CCNC(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000270807524 352989107 /nfs/dbraw/zinc/98/91/07/352989107.db2.gz OSIKDBFVKKHRML-UHFFFAOYSA-N 0 3 281.316 0.542 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@](C)(O)CN(C)C ZINC000153317504 188076266 /nfs/dbraw/zinc/07/62/66/188076266.db2.gz DHBYASZCFPJBKP-AWEZNQCLSA-N 0 3 295.339 0.946 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000152797070 188045059 /nfs/dbraw/zinc/04/50/59/188045059.db2.gz DKXQAJJNBIMJHL-CYBMUJFWSA-N 0 3 296.327 0.219 20 5 CCBDHN C[C@@H](O)CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154363171 188137923 /nfs/dbraw/zinc/13/79/23/188137923.db2.gz JDGBHDLIUZIQSD-SKDRFNHKSA-N 0 3 254.286 0.941 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](CO)CC2)c1 ZINC000293282735 353801316 /nfs/dbraw/zinc/80/13/16/353801316.db2.gz VNDZYXLHZPWXKJ-NSHDSACASA-N 0 3 268.317 0.886 20 5 CCBDHN C[C@H](NCCOCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293681416 353830968 /nfs/dbraw/zinc/83/09/68/353830968.db2.gz KJOJWKORZCIYDJ-VIFPVBQESA-N 0 3 269.301 0.837 20 5 CCBDHN CN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299251580 354002219 /nfs/dbraw/zinc/00/22/19/354002219.db2.gz PCEOOCAPJTZVRO-MRVPVSSYSA-N 0 3 279.300 0.595 20 5 CCBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC000305770885 354161070 /nfs/dbraw/zinc/16/10/70/354161070.db2.gz YJQSZEKYXUECHZ-CMPLNLGQSA-N 0 3 281.312 0.459 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000305765503 354161353 /nfs/dbraw/zinc/16/13/53/354161353.db2.gz QXOMUZBGNLXZDL-MWLCHTKSSA-N 0 3 254.290 0.494 20 5 CCBDHN Cc1nn(C)c(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000330526039 354394142 /nfs/dbraw/zinc/39/41/42/354394142.db2.gz KUGLOIVLXQJLSC-UHFFFAOYSA-N 0 3 295.343 0.805 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CNCCO1 ZINC000424011038 235137471 /nfs/dbraw/zinc/13/74/71/235137471.db2.gz YLGOTHRCIFMIQJ-LLVKDONJSA-N 0 3 293.323 0.930 20 5 CCBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000353481937 356234437 /nfs/dbraw/zinc/23/44/37/356234437.db2.gz LFTMPSJURVMYFB-WXRRBKDZSA-N 0 3 296.323 0.790 20 5 CCBDHN O=[N+]([O-])c1ccn(C2CCN([C@H]3COC[C@H]3O)CC2)n1 ZINC000361382251 138033523 /nfs/dbraw/zinc/03/35/23/138033523.db2.gz UEGNQDGPRHZVHW-WDEREUQCSA-N 0 3 282.300 0.188 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1CO ZINC000362079639 138045979 /nfs/dbraw/zinc/04/59/79/138045979.db2.gz UXODZSAJQUJHPX-WDEREUQCSA-N 0 3 281.312 0.317 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCN1C ZINC000354629445 356457843 /nfs/dbraw/zinc/45/78/43/356457843.db2.gz XJOZLLZAZMHSRS-SFYZADRCSA-N 0 3 267.289 0.530 20 5 CCBDHN CS[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000619789789 366354944 /nfs/dbraw/zinc/35/49/44/366354944.db2.gz NQHMXMAXVXJOCR-DTWKUNHWSA-N 0 3 299.356 0.436 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(O)c2)c1 ZINC000383674651 357717606 /nfs/dbraw/zinc/71/76/06/357717606.db2.gz XAYXGJCCMLSOBW-CYBMUJFWSA-N 0 3 292.295 0.648 20 5 CCBDHN CCN(CCNC(=O)c1c[nH]nc1[N+](=O)[O-])C1CC1 ZINC000569067140 358730169 /nfs/dbraw/zinc/73/01/69/358730169.db2.gz OZHMXNSHJBLRSR-UHFFFAOYSA-N 0 3 267.289 0.532 20 5 CCBDHN CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cn1 ZINC000586764548 359286491 /nfs/dbraw/zinc/28/64/91/359286491.db2.gz XITHGCCXSMWCQY-UHFFFAOYSA-N 0 3 293.287 0.328 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000588866154 359344805 /nfs/dbraw/zinc/34/48/05/359344805.db2.gz DZPMYALWZNRBBH-JTQLQIEISA-N 0 3 297.311 0.012 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442474 359465858 /nfs/dbraw/zinc/46/58/58/359465858.db2.gz HEVXJNSOFPCWQL-NXEZZACHSA-N 0 3 293.327 0.413 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CCNC[C@](C)(F)C1 ZINC000591442203 359593407 /nfs/dbraw/zinc/59/34/07/359593407.db2.gz UKOPQBYBWIFSSB-JTQLQIEISA-N 0 3 257.269 0.466 20 5 CCBDHN N[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000563090895 291190990 /nfs/dbraw/zinc/19/09/90/291190990.db2.gz WNRMSLSECXXYTH-JTQLQIEISA-N 0 3 267.289 0.035 20 5 CCBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])s1 ZINC000591985759 359720140 /nfs/dbraw/zinc/72/01/40/359720140.db2.gz RLIUULLEKQAPEU-MRVPVSSYSA-N 0 3 299.356 0.608 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000611236706 363690447 /nfs/dbraw/zinc/69/04/47/363690447.db2.gz YHSOPSAUVQFYIB-WPRPVWTQSA-N 0 3 293.327 0.541 20 5 CCBDHN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1 ZINC000592543499 359880449 /nfs/dbraw/zinc/88/04/49/359880449.db2.gz DDUFYSDSIKCZII-SNVBAGLBSA-N 0 3 266.301 0.993 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000177045156 189024352 /nfs/dbraw/zinc/02/43/52/189024352.db2.gz OFCADTTVIFLLFL-VHSXEESVSA-N 0 3 293.327 0.533 20 5 CCBDHN O=C1CC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@H]2N1 ZINC000595735832 360634287 /nfs/dbraw/zinc/63/42/87/360634287.db2.gz DKVVKEGOUZAAAR-WDEREUQCSA-N 0 3 293.327 0.392 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]3COC[C@@H]3C2)n1 ZINC000595831285 360671897 /nfs/dbraw/zinc/67/18/97/360671897.db2.gz NANWPQKROCKZHJ-MNOVXSKESA-N 0 3 266.301 0.760 20 5 CCBDHN Cc1c(C(=O)N2CCOC3(CNC3)C2)cccc1[N+](=O)[O-] ZINC000596097012 360793312 /nfs/dbraw/zinc/79/33/12/360793312.db2.gz CCIJBJMYLKGFEM-UHFFFAOYSA-N 0 3 291.307 0.718 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596243355 360850034 /nfs/dbraw/zinc/85/00/34/360850034.db2.gz KEVIXNQLLRRFDZ-ZETCQYMHSA-N 0 3 297.340 0.934 20 5 CCBDHN O=c1[n-]ccc(NC[C@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000596256249 360854399 /nfs/dbraw/zinc/85/43/99/360854399.db2.gz CEIMPFPAJTWZHL-SNVBAGLBSA-N 0 3 296.327 0.954 20 5 CCBDHN O=c1[n-]ccc(NC[C@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000596256249 360854403 /nfs/dbraw/zinc/85/44/03/360854403.db2.gz CEIMPFPAJTWZHL-SNVBAGLBSA-N 0 3 296.327 0.954 20 5 CCBDHN COC(=O)C[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000179132963 189171812 /nfs/dbraw/zinc/17/18/12/189171812.db2.gz KCXVGQLHTXHATM-SNVBAGLBSA-N 0 3 282.300 0.819 20 5 CCBDHN COc1ccc(CNC(=O)[C@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000275718163 193112397 /nfs/dbraw/zinc/11/23/97/193112397.db2.gz IAUFDMMYLNNRTK-VHSXEESVSA-N 0 3 297.286 0.920 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C ZINC000330592977 203011752 /nfs/dbraw/zinc/01/17/52/203011752.db2.gz PNGQWWKCSHRMJR-QWRGUYRKSA-N 0 3 267.333 0.816 20 5 CCBDHN O=[N+]([O-])c1cnc2ccc(N3C[C@H]4CCC[C@@H](C3)N4)nn21 ZINC000574670482 335038614 /nfs/dbraw/zinc/03/86/14/335038614.db2.gz WXFALVZKHLLHEM-AOOOYVTPSA-N 0 3 288.311 0.968 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1O ZINC000249580613 285128593 /nfs/dbraw/zinc/12/85/93/285128593.db2.gz QWZVNSIUCGSVET-ZYHUDNBSSA-N 0 3 281.312 0.459 20 5 CCBDHN C[C@H](O)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305196142 285170611 /nfs/dbraw/zinc/17/06/11/285170611.db2.gz TZIKRKRNIZLHEJ-LOWVWBTDSA-N 0 3 298.343 0.245 20 5 CCBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285876252 388808524 /nfs/dbraw/zinc/80/85/24/388808524.db2.gz JGHJYNWBZRXYEQ-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000195297526 389122482 /nfs/dbraw/zinc/12/24/82/389122482.db2.gz QHYUTZNVUCICIY-RXMQYKEDSA-N 0 3 265.316 0.282 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCN1C ZINC000195314562 389123289 /nfs/dbraw/zinc/12/32/89/389123289.db2.gz XOETTXCOLMHVMV-SNVBAGLBSA-N 0 3 281.316 0.310 20 5 CCBDHN CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000341004221 389179750 /nfs/dbraw/zinc/17/97/50/389179750.db2.gz ANWZLSIRUOGTCO-NXEZZACHSA-N 0 3 254.290 0.494 20 5 CCBDHN CC1=CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000270117929 389428881 /nfs/dbraw/zinc/42/88/81/389428881.db2.gz FFIQVZVNMVOAQF-GFCCVEGCSA-N 0 3 266.301 0.804 20 5 CCBDHN C[C@@H](NCCC(=O)NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000411457392 389430802 /nfs/dbraw/zinc/43/08/02/389430802.db2.gz NJKQBOTZSCENRF-MRVPVSSYSA-N 0 3 280.284 0.830 20 5 CCBDHN CN(CCn1cccn1)CCn1ccc([N+](=O)[O-])n1 ZINC000176239525 389554801 /nfs/dbraw/zinc/55/48/01/389554801.db2.gz MDXHDUVRKGLIGL-UHFFFAOYSA-N 0 3 264.289 0.620 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)C[NH3+] ZINC000447252540 389949691 /nfs/dbraw/zinc/94/96/91/389949691.db2.gz RUMKHAVLZIZGGU-QMMMGPOBSA-N 0 3 287.341 0.776 20 5 CCBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000420471513 390008791 /nfs/dbraw/zinc/00/87/91/390008791.db2.gz RLRKNRIOMNOOKC-VIFPVBQESA-N 0 3 287.341 0.919 20 5 CCBDHN CC1(C)[C@@H](O)C[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000566424958 390602396 /nfs/dbraw/zinc/60/23/96/390602396.db2.gz STIXUPNEVSPBSR-QWRGUYRKSA-N 0 3 281.312 0.506 20 5 CCBDHN CC(C)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000236754284 130972459 /nfs/dbraw/zinc/97/24/59/130972459.db2.gz BBTBEOUWHZGGKL-VXGBXAGGSA-N 0 3 254.286 0.987 20 5 CCBDHN COCCNCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000237321068 131023694 /nfs/dbraw/zinc/02/36/94/131023694.db2.gz USHFNDCLSTURTR-UHFFFAOYSA-N 0 3 282.300 0.143 20 5 CCBDHN CCC[C@](C)(N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000262578694 131235865 /nfs/dbraw/zinc/23/58/65/131235865.db2.gz PKXKHARTGMDIGL-NSHDSACASA-N 0 3 269.305 0.425 20 5 CCBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000262783108 292087380 /nfs/dbraw/zinc/08/73/80/292087380.db2.gz PKAHMDUOLVNNSK-VIFPVBQESA-N 0 3 287.341 0.837 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358063314 144147633 /nfs/dbraw/zinc/14/76/33/144147633.db2.gz JCDHTJYROKMSTP-ZDUSSCGKSA-N 0 3 294.311 0.095 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CN1C1CC1 ZINC000548420448 286034847 /nfs/dbraw/zinc/03/48/47/286034847.db2.gz MUPPQUAXSLYCJS-JGVFFNPUSA-N 0 3 279.300 0.673 20 5 CCBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548955364 286081936 /nfs/dbraw/zinc/08/19/36/286081936.db2.gz DQIRSXUYBQDBJP-VIFPVBQESA-N 0 3 281.316 0.732 20 5 CCBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285343675 196255675 /nfs/dbraw/zinc/25/56/75/196255675.db2.gz AHGWFZDDLIKBGB-GFCCVEGCSA-N 0 3 296.323 0.791 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[NH2+]C1 ZINC000052093585 292588108 /nfs/dbraw/zinc/58/81/08/292588108.db2.gz ROCAJZOKZJUUGA-VIFPVBQESA-N 0 3 285.325 0.543 20 5 CCBDHN C[C@H]1CC[C@@H](C(N)=O)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000176229972 278377110 /nfs/dbraw/zinc/37/71/10/278377110.db2.gz VIWJVBWKPPVRHG-VHSXEESVSA-N 0 3 281.316 0.377 20 5 CCBDHN C[C@@H]1NCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1C ZINC000262405791 279037283 /nfs/dbraw/zinc/03/72/83/279037283.db2.gz QBWJYIVBFKSVLH-IUCAKERBSA-N 0 3 278.312 0.999 20 5 CCBDHN N[C@@H]1C[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000575935144 335133517 /nfs/dbraw/zinc/13/35/17/335133517.db2.gz GXPKVXAMOZUKST-WCBMZHEXSA-N 0 3 294.286 0.482 20 5 CCBDHN CC(C)[C@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000576637701 335229049 /nfs/dbraw/zinc/22/90/49/335229049.db2.gz BMPIYCALTMHJKI-LBPRGKRZSA-N 0 3 278.312 0.858 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000581424797 336075046 /nfs/dbraw/zinc/07/50/46/336075046.db2.gz IXAJZGPXUYVZJU-QJPTWQEYSA-N 0 3 292.295 0.891 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000330916210 533914616 /nfs/dbraw/zinc/91/46/16/533914616.db2.gz UXQAPMZIEXKXRH-NXEZZACHSA-N 0 3 281.316 0.390 20 5 CCBDHN COC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000496077997 534179316 /nfs/dbraw/zinc/17/93/16/534179316.db2.gz YUDZCOJPJSTPIQ-YUMQZZPRSA-N 0 3 262.262 0.575 20 5 CCBDHN COc1ccc(CNC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600678441 545102933 /nfs/dbraw/zinc/10/29/33/545102933.db2.gz PVGWDVMKVIMHMA-LLVKDONJSA-N 0 3 281.312 0.681 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCO[C@H]1C1CC1 ZINC000364781151 527487456 /nfs/dbraw/zinc/48/74/56/527487456.db2.gz GIWDWDNCNAFAHG-OCCSQVGLSA-N 0 3 293.323 0.914 20 5 CCBDHN CCN1CCN(CCNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296260082 529146310 /nfs/dbraw/zinc/14/63/10/529146310.db2.gz GGYXOPXMNZVPEO-UHFFFAOYSA-N 0 3 294.359 0.743 20 5 CCBDHN CN1CCC[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000778541421 581159420 /nfs/dbraw/zinc/15/94/20/581159420.db2.gz FAQIPZIGWZLSHU-CHWSQXEVSA-N 0 3 293.323 0.839 20 5 CCBDHN O=[N+]([O-])CCN1CCN(CC2CCOCC2)CC1 ZINC000791052498 581205748 /nfs/dbraw/zinc/20/57/48/581205748.db2.gz OPNCGAKUYIHIJG-UHFFFAOYSA-N 0 3 257.334 0.307 20 5 CCBDHN Cc1n[nH]c(C(=O)NCCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000783921419 581367551 /nfs/dbraw/zinc/36/75/51/581367551.db2.gz RWEYVVVAJCQMNX-MRVPVSSYSA-N 0 3 281.316 0.840 20 5 CCBDHN CC(C)(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC1 ZINC000796584971 581445159 /nfs/dbraw/zinc/44/51/59/581445159.db2.gz PAFDMBHTNKFOJP-UHFFFAOYSA-N 0 3 295.343 0.782 20 5 CCBDHN CN(CCC(N)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796596351 581445645 /nfs/dbraw/zinc/44/56/45/581445645.db2.gz UHZHMQRCMRQJLE-LLVKDONJSA-N 0 3 267.285 0.435 20 5 CCBDHN CN(Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C2CC2)C1 ZINC000732188100 581808300 /nfs/dbraw/zinc/80/83/00/581808300.db2.gz FVXGTOSAQSVFAL-LLVKDONJSA-N 0 3 265.317 0.917 20 5 CCBDHN O=[N+]([O-])c1ccc(NCC[NH2+]C2CC2)c(-c2nnn[n-]2)c1 ZINC000738370025 582039857 /nfs/dbraw/zinc/03/98/57/582039857.db2.gz MSMJOANHKBNAHB-UHFFFAOYSA-N 0 3 289.299 0.939 20 5 CCBDHN O=[N+]([O-])c1ccc(NCC[NH2+]C2CC2)c(-c2nn[n-]n2)c1 ZINC000738370025 582039859 /nfs/dbraw/zinc/03/98/59/582039859.db2.gz MSMJOANHKBNAHB-UHFFFAOYSA-N 0 3 289.299 0.939 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000776597097 582083816 /nfs/dbraw/zinc/08/38/16/582083816.db2.gz HFOMFGYRYIGNQP-ICCXJUOJSA-N 0 3 266.297 0.941 20 5 CCBDHN COc1ccc([C@H](CO)CNCC[N+](=O)[O-])cc1 ZINC000905369091 617281339 /nfs/dbraw/zinc/28/13/39/617281339.db2.gz XVNSEBJPBJTEHW-NSHDSACASA-N 0 3 254.286 0.637 20 5 CCBDHN CCN1CCN(CCCNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891808228 615158335 /nfs/dbraw/zinc/15/83/35/615158335.db2.gz TXOJWGFTINNIPZ-UHFFFAOYSA-N 0 3 296.375 0.768 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865807814 615926025 /nfs/dbraw/zinc/92/60/25/615926025.db2.gz RHHLTXUFCORSCZ-VIFPVBQESA-N 0 3 287.291 0.561 20 5 CCBDHN CN(CCO)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000924995118 616105794 /nfs/dbraw/zinc/10/57/94/616105794.db2.gz CVAVSPLVJSCQNU-UHFFFAOYSA-N 0 3 285.275 0.388 20 5 CCBDHN COC(=O)[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@@H]1C ZINC000878493044 616307216 /nfs/dbraw/zinc/30/72/16/616307216.db2.gz VSWXKFXUGCKMIJ-MWLCHTKSSA-N 0 3 296.327 0.983 20 5 CCBDHN COC[C@H](CCO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843082303 616649654 /nfs/dbraw/zinc/64/96/54/616649654.db2.gz BQDLQBMMXVPGCZ-WCQYABFASA-N 0 3 284.312 0.615 20 5 CCBDHN COC(=O)C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000932106554 616664886 /nfs/dbraw/zinc/66/48/86/616664886.db2.gz CFBTVWLSEFGWST-GHMZBOCLSA-N 0 3 296.327 0.922 20 5 CCBDHN COC[C@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077472 616673183 /nfs/dbraw/zinc/67/31/83/616673183.db2.gz DYXPHPCIYYQRLA-JQWIXIFHSA-N 0 3 270.285 0.225 20 5 CCBDHN COC(=O)c1cccc(CCNCC[N+](=O)[O-])c1 ZINC000905193531 616926782 /nfs/dbraw/zinc/92/67/82/616926782.db2.gz DNAVIAJIJAVAFI-UHFFFAOYSA-N 0 3 252.270 0.882 20 5 CCBDHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000932345846 624492877 /nfs/dbraw/zinc/49/28/77/624492877.db2.gz IRBNNTGURQNNDA-ZYHUDNBSSA-N 0 3 284.316 0.263 20 5 CCBDHN CC(COC(=O)c1cc2n(n1)CCCO2)[N+](=O)[O-] ZINC000813102154 624647469 /nfs/dbraw/zinc/64/74/69/624647469.db2.gz OKWHUYXYASUHOL-ZETCQYMHSA-N 0 3 255.230 0.488 20 5 CCBDHN C[C@H](CN1CCN(c2ccccn2)CC1)NCC[N+](=O)[O-] ZINC000905126089 634805201 /nfs/dbraw/zinc/80/52/01/634805201.db2.gz DFRNBLITCBAZGW-CYBMUJFWSA-N 0 3 293.371 0.458 20 5 CCBDHN C[C@H]1CN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839489126 640316940 /nfs/dbraw/zinc/31/69/40/640316940.db2.gz VODUSWFPXBBUQG-NNYUYHANSA-N 0 3 285.344 0.267 20 5 CCBDHN Cc1nccn1C[C@@H](C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839555269 640342227 /nfs/dbraw/zinc/34/22/27/640342227.db2.gz MJJLDFVGKUXYFQ-JMJZKYOTSA-N 0 3 266.301 0.609 20 5 CCBDHN CC(COC(=O)c1cncc(-n2ccnn2)c1)[N+](=O)[O-] ZINC000813103394 641022082 /nfs/dbraw/zinc/02/20/82/641022082.db2.gz PRQNNFLOCCXQIJ-QMMMGPOBSA-N 0 3 277.240 0.484 20 5 CCBDHN Cc1nnc(COCC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813106814 641023564 /nfs/dbraw/zinc/02/35/64/641023564.db2.gz IFZDZWBGBVPINW-ZCFIWIBFSA-N 0 3 275.286 0.572 20 5 CCBDHN CC(COC(=O)[C@H]1CCCCN1S(C)(=O)=O)[N+](=O)[O-] ZINC000813106781 641023738 /nfs/dbraw/zinc/02/37/38/641023738.db2.gz GZJMHZJYBMTIHL-RKDXNWHRSA-N 0 3 294.329 0.009 20 5 CCBDHN CC(COC(=O)CSc1nnnn1C1CC1)[N+](=O)[O-] ZINC000813113664 641024417 /nfs/dbraw/zinc/02/44/17/641024417.db2.gz HOINMVCQVAUIIX-ZCFIWIBFSA-N 0 3 287.301 0.309 20 5 CCBDHN CC(COC(=O)c1ccc(N2CCOCC2)nc1)[N+](=O)[O-] ZINC000813113734 641024606 /nfs/dbraw/zinc/02/46/06/641024606.db2.gz IJEXDYVNEYWFOH-SNVBAGLBSA-N 0 3 295.295 0.740 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000830111218 642231777 /nfs/dbraw/zinc/23/17/77/642231777.db2.gz MADMAGNEFJXIEF-PSASIEDQSA-N 0 3 281.316 0.309 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12)[N+](=O)[O-] ZINC000851037397 643829024 /nfs/dbraw/zinc/82/90/24/643829024.db2.gz UTNWYKDHTIOHOL-YTWAJWBKSA-N 0 3 284.312 0.890 20 5 CCBDHN O=[N+]([O-])c1c(NCCN2CC[C@H](O)C2)nc2ccccn21 ZINC000858866636 644656409 /nfs/dbraw/zinc/65/64/09/644656409.db2.gz CYGSYRDXHRALQR-JTQLQIEISA-N 0 3 291.311 0.721 20 5 CCBDHN O=C(N[C@H]1CCCN2CCSC[C@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC000928079638 648611722 /nfs/dbraw/zinc/61/17/22/648611722.db2.gz NKJUYPCMRCPIMF-LMLFDSFASA-N 0 3 285.369 0.348 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928442274 648635813 /nfs/dbraw/zinc/63/58/13/648635813.db2.gz APLJORKESOGIIL-SCZZXKLOSA-N 0 3 281.316 0.309 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000928449013 648637666 /nfs/dbraw/zinc/63/76/66/648637666.db2.gz DIRURVLNWJQQFQ-PSASIEDQSA-N 0 3 267.289 0.000 20 5 CCBDHN COc1cnccc1N1CCN(CC[N+](=O)[O-])CC1 ZINC000930297231 648846291 /nfs/dbraw/zinc/84/62/91/648846291.db2.gz XKLDYCCIJMQKEN-UHFFFAOYSA-N 0 3 266.301 0.489 20 5 CCBDHN CN1CC[C@H](Nc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001167280661 790783960 /nfs/dbraw/zinc/78/39/60/790783960.db2.gz AQJMPFOQUXKGIB-QMMMGPOBSA-N 0 3 262.273 0.754 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCOC[C@H]1CN(C)C ZINC001154978624 800884922 /nfs/dbraw/zinc/88/49/22/800884922.db2.gz TZNVYAZTCKMONE-LLVKDONJSA-N 0 3 296.327 0.303 20 5 CCBDHN COc1nc(N[C@H](C)[C@@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001159489015 801818049 /nfs/dbraw/zinc/81/80/49/801818049.db2.gz JLDWSBZPBQGNHQ-APPZFPTMSA-N 0 3 283.288 0.182 20 5 CCBDHN COc1cc(N[C@@H](C)[C@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001159495354 801821182 /nfs/dbraw/zinc/82/11/82/801821182.db2.gz DYRJEODYHSUXQN-GZMMTYOYSA-N 0 3 282.300 0.787 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(N(C)S(=O)(=O)CCN)n1 ZINC001164296797 802700839 /nfs/dbraw/zinc/70/08/39/802700839.db2.gz PVWHVXYEIVENSA-UHFFFAOYSA-N 0 3 274.302 0.023 20 5 CCBDHN CN(C)C1(C)CN(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001165117959 802785691 /nfs/dbraw/zinc/78/56/91/802785691.db2.gz KUCXDHPDAPJRFX-UHFFFAOYSA-N 0 3 251.290 0.712 20 5 CCBDHN CN(C[C@@H](O)CO)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597124 808266342 /nfs/dbraw/zinc/26/63/42/808266342.db2.gz RSZVLWFBTVQEFJ-CHWSQXEVSA-N 0 3 266.297 0.347 20 5 CCBDHN CC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169048247 836117431 /nfs/dbraw/zinc/11/74/31/836117431.db2.gz UAGDHOQWOODCLM-WCFLWFBJSA-N 0 3 269.345 0.984 20 5 CCBDHN C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170575950 838166173 /nfs/dbraw/zinc/16/61/73/838166173.db2.gz YISOXJJQVOZNCK-XCBNKYQSSA-N 0 3 286.719 0.854 20 5 CCBDHN C[N@@H+]1CC[C@H]1CNC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC001133923416 838780678 /nfs/dbraw/zinc/78/06/78/838780678.db2.gz LDEXOZMZLWTSPN-VIFPVBQESA-N 0 3 289.295 0.905 20 5 CCBDHN C[N@H+]1CC[C@H]1CNC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC001133923416 838780682 /nfs/dbraw/zinc/78/06/82/838780682.db2.gz LDEXOZMZLWTSPN-VIFPVBQESA-N 0 3 289.295 0.905 20 5 CCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cnon1 ZINC001135573834 839299894 /nfs/dbraw/zinc/29/98/94/839299894.db2.gz VSOZFNDUGPDIIL-UHFFFAOYSA-N 0 3 291.267 0.497 20 5 CCBDHN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC001187662567 844742515 /nfs/dbraw/zinc/74/25/15/844742515.db2.gz GWQLDGAQHZTVCV-BQBZGAKWSA-N 0 3 252.278 0.472 20 5 CCBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001332525689 918253854 /nfs/dbraw/zinc/25/38/54/918253854.db2.gz AVEARIXFCDUENF-ZJUUUORDSA-N 0 3 279.300 0.627 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2COC3(CNC3)C2)c1 ZINC001343998806 923524324 /nfs/dbraw/zinc/52/43/24/923524324.db2.gz DCRUWRBDNHCPLM-SNVBAGLBSA-N 0 3 291.307 0.764 20 5 CCBDHN Cc1ccc(CNC[C@@](C)(O)CO)cc1[N+](=O)[O-] ZINC000090285690 349433368 /nfs/dbraw/zinc/43/33/68/349433368.db2.gz MHZYKKRHMUNGIL-GFCCVEGCSA-N 0 3 254.286 0.736 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CNC2)cc1C ZINC000090289242 349434625 /nfs/dbraw/zinc/43/46/25/349434625.db2.gz AEPFLPRSVMUFJJ-UHFFFAOYSA-N 0 3 285.325 0.462 20 5 CCBDHN CN(C)C(=O)C(C)(C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000090554300 349438862 /nfs/dbraw/zinc/43/88/62/349438862.db2.gz APELOZJULDYSBF-UHFFFAOYSA-N 0 3 296.327 0.213 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC1(C)COC1 ZINC000599571648 361748226 /nfs/dbraw/zinc/74/82/26/361748226.db2.gz OZCMBKIYVKCXNP-UHFFFAOYSA-N 0 3 254.290 0.760 20 5 CCBDHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000126089603 187216384 /nfs/dbraw/zinc/21/63/84/187216384.db2.gz PWXPAKWCFFQZSL-LBPRGKRZSA-N 0 3 294.311 0.633 20 5 CCBDHN Cc1nc(N[C@H]2CCCN(CCCO)C2)ncc1[N+](=O)[O-] ZINC000295027085 199307716 /nfs/dbraw/zinc/30/77/16/199307716.db2.gz VFDCPOUYSCAALV-NSHDSACASA-N 0 3 295.343 0.952 20 5 CCBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCCN(CCCO)C2)nc1 ZINC000295029973 199308786 /nfs/dbraw/zinc/30/87/86/199308786.db2.gz VNAOXBUDQKBHSY-SNVBAGLBSA-N 0 3 281.316 0.644 20 5 CCBDHN CC(C)(F)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967548 362441570 /nfs/dbraw/zinc/44/15/70/362441570.db2.gz KLMZGHOZPJOJPC-SECBINFHSA-N 0 3 260.269 0.490 20 5 CCBDHN Cc1cc(NC[C@]2(O)CCN(C)C2)ncc1[N+](=O)[O-] ZINC000358339401 232083204 /nfs/dbraw/zinc/08/32/04/232083204.db2.gz NTVBILJPOKERPO-GFCCVEGCSA-N 0 3 266.301 0.777 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCc2cn[nH]c2C1 ZINC000602798723 362805721 /nfs/dbraw/zinc/80/57/21/362805721.db2.gz GHHJSUCQBHNHDU-UHFFFAOYSA-N 0 3 276.300 0.881 20 5 CCBDHN Cc1nn(C)c(NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000252672774 137003937 /nfs/dbraw/zinc/00/39/37/137003937.db2.gz CMKVRQICJOPURC-QWRGUYRKSA-N 0 3 295.343 0.912 20 5 CCBDHN CCCN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000344838253 137216173 /nfs/dbraw/zinc/21/61/73/137216173.db2.gz BBPXFZJUFJYVTR-UHFFFAOYSA-N 0 3 297.359 0.900 20 5 CCBDHN COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000041950960 348262325 /nfs/dbraw/zinc/26/23/25/348262325.db2.gz SHQZFWZDAVITRH-UHFFFAOYSA-N 0 3 285.300 0.886 20 5 CCBDHN C[C@@H](O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963690 362910787 /nfs/dbraw/zinc/91/07/87/362910787.db2.gz YLZSLFJEDNIABX-SKDRFNHKSA-N 0 3 254.286 0.773 20 5 CCBDHN CC(C)(CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000457051793 535075234 /nfs/dbraw/zinc/07/52/34/535075234.db2.gz AHHCWQSZGGTAKD-UHFFFAOYSA-N 0 3 281.316 0.922 20 5 CCBDHN CN1CCN(C)[C@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000068803542 348822451 /nfs/dbraw/zinc/82/24/51/348822451.db2.gz RFDJLYJLTCSUKZ-CQSZACIVSA-N 0 3 278.356 0.930 20 5 CCBDHN Cc1cccnc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000071340099 348907981 /nfs/dbraw/zinc/90/79/81/348907981.db2.gz WLUPXUATAMNRQR-GFCCVEGCSA-N 0 3 291.311 0.645 20 5 CCBDHN CNC(=O)[C@@H](C)CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551593 180002834 /nfs/dbraw/zinc/00/28/34/180002834.db2.gz ZNAQTQWVERSOCL-JTQLQIEISA-N 0 3 296.327 0.070 20 5 CCBDHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000129505518 350216333 /nfs/dbraw/zinc/21/63/33/350216333.db2.gz FRHRXVOYOMJSGF-VIFPVBQESA-N 0 3 287.341 0.729 20 5 CCBDHN CCCCN(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174820237 351105788 /nfs/dbraw/zinc/10/57/88/351105788.db2.gz FLHUQLLJIUFCKS-UHFFFAOYSA-N 0 3 256.306 0.886 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC3(CC2)OCCO3)n1 ZINC000176203737 351160206 /nfs/dbraw/zinc/16/02/06/351160206.db2.gz VRBDXOOGTGRQMZ-UHFFFAOYSA-N 0 3 282.300 0.630 20 5 CCBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CCCC1 ZINC000192568798 351790388 /nfs/dbraw/zinc/79/03/88/351790388.db2.gz SYWPGXUCUYUBQX-UHFFFAOYSA-N 0 3 279.300 0.596 20 5 CCBDHN CCN1CCC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000194662662 351880193 /nfs/dbraw/zinc/88/01/93/351880193.db2.gz USXMZTUQPQCLCP-SNVBAGLBSA-N 0 3 281.316 0.392 20 5 CCBDHN CN(C)[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000131464331 187568154 /nfs/dbraw/zinc/56/81/54/187568154.db2.gz QFNVITFEJOMCAD-MRVPVSSYSA-N 0 3 267.289 0.484 20 5 CCBDHN C[C@@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000230734959 352119696 /nfs/dbraw/zinc/11/96/96/352119696.db2.gz AOPZKGSDFQHSRF-LLVKDONJSA-N 0 3 285.325 0.625 20 5 CCBDHN Cc1nn(C)c(NC[C@@H]2CSCCN2)c1[N+](=O)[O-] ZINC000603417838 363122143 /nfs/dbraw/zinc/12/21/43/363122143.db2.gz CIGCTLJWHQPFHU-MRVPVSSYSA-N 0 3 271.346 0.754 20 5 CCBDHN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)CN1 ZINC000237466671 352267140 /nfs/dbraw/zinc/26/71/40/352267140.db2.gz QIMXPRQDMDCMET-SFYZADRCSA-N 0 3 267.289 0.151 20 5 CCBDHN O=C(CNC1CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000238164581 352300971 /nfs/dbraw/zinc/30/09/71/352300971.db2.gz RUSOWWYDIWIWHA-UHFFFAOYSA-N 0 3 278.312 0.875 20 5 CCBDHN CN(C)C[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000268228282 352818142 /nfs/dbraw/zinc/81/81/42/352818142.db2.gz XSELBBFAPJAZRN-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN CN1CC[C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@H]2C1 ZINC000272679416 353085438 /nfs/dbraw/zinc/08/54/38/353085438.db2.gz VGADJGOEQMBXGU-QWRGUYRKSA-N 0 3 293.327 0.344 20 5 CCBDHN COCCNCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000152252424 188005687 /nfs/dbraw/zinc/00/56/87/188005687.db2.gz MYWGEKGHMJIQRE-UHFFFAOYSA-N 0 3 267.285 0.561 20 5 CCBDHN COCCNCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000152253958 188005153 /nfs/dbraw/zinc/00/51/53/188005153.db2.gz AFKMRFRGKFLBPJ-UHFFFAOYSA-N 0 3 281.312 0.869 20 5 CCBDHN CCN1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000286683533 353603425 /nfs/dbraw/zinc/60/34/25/353603425.db2.gz VRQKRYJLJZOQQU-NSHDSACASA-N 0 3 267.333 0.817 20 5 CCBDHN CO[C@H]1COC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000290226466 353715515 /nfs/dbraw/zinc/71/55/15/353715515.db2.gz XGVDNMIBZCABEZ-STQMWFEESA-N 0 3 282.296 0.977 20 5 CCBDHN COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298908776 353977088 /nfs/dbraw/zinc/97/70/88/353977088.db2.gz CCKWSSITNGFTDM-UHFFFAOYSA-N 0 3 284.316 0.621 20 5 CCBDHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000301183008 354072027 /nfs/dbraw/zinc/07/20/27/354072027.db2.gz CGFHQIFHUIIWPT-MRVPVSSYSA-N 0 3 266.305 0.721 20 5 CCBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CCCCC1 ZINC000301181116 354072188 /nfs/dbraw/zinc/07/21/88/354072188.db2.gz ZJWKMNQEYHDVSD-UHFFFAOYSA-N 0 3 293.327 0.987 20 5 CCBDHN CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000330555054 354409640 /nfs/dbraw/zinc/40/96/40/354409640.db2.gz DUSWDZLHPNSKNW-GFCCVEGCSA-N 0 3 297.359 0.178 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCC[C@@]1(C)CO ZINC000331189461 354484562 /nfs/dbraw/zinc/48/45/62/354484562.db2.gz VGVYAERZJOOJEE-PWSUYJOCSA-N 0 3 268.317 0.969 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CNCCO1 ZINC000423991312 235132090 /nfs/dbraw/zinc/13/20/90/235132090.db2.gz LPYWWYGDFRQNNJ-JTQLQIEISA-N 0 3 295.295 0.322 20 5 CCBDHN Cc1c([N+](=O)[O-])ccc(=O)n1C[C@H](O)CN(C)C1CC1 ZINC000336844541 355214920 /nfs/dbraw/zinc/21/49/20/355214920.db2.gz ZWODQMPPPIZJMQ-LLVKDONJSA-N 0 3 281.312 0.520 20 5 CCBDHN COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532134377 358496792 /nfs/dbraw/zinc/49/67/92/358496792.db2.gz WZAJBFDLLODVEX-UHFFFAOYSA-N 0 3 296.327 0.688 20 5 CCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(CC2CC2)C1 ZINC000609382938 363492240 /nfs/dbraw/zinc/49/22/40/363492240.db2.gz HAJZOQPTOXBZPX-LLVKDONJSA-N 0 3 293.327 0.392 20 5 CCBDHN CN(C)CCn1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cn1 ZINC000619786821 366352683 /nfs/dbraw/zinc/35/26/83/366352683.db2.gz SHWQMDQOFMPOKB-UHFFFAOYSA-N 0 3 293.287 0.328 20 5 CCBDHN C[NH+](C)CCn1cc(NC(=O)c2c[n-]nc2[N+](=O)[O-])cn1 ZINC000619786821 366352687 /nfs/dbraw/zinc/35/26/87/366352687.db2.gz SHWQMDQOFMPOKB-UHFFFAOYSA-N 0 3 293.287 0.328 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](O)[C@H](N(C)C)C1 ZINC000359967438 356928750 /nfs/dbraw/zinc/92/87/50/356928750.db2.gz HNJBGRRPMKHZHQ-NXEZZACHSA-N 0 3 283.332 0.231 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000449518902 236035489 /nfs/dbraw/zinc/03/54/89/236035489.db2.gz BEZPXKISIJJQCL-TXEJJXNPSA-N 0 3 289.291 0.608 20 5 CCBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N(C)C ZINC000610770113 363611077 /nfs/dbraw/zinc/61/10/77/363611077.db2.gz CYLFPMZRVHBMPJ-MRVPVSSYSA-N 0 3 252.274 0.670 20 5 CCBDHN CN(C)C(=O)C(C)(C)NCCn1cc([N+](=O)[O-])cn1 ZINC000533063707 358524371 /nfs/dbraw/zinc/52/43/71/358524371.db2.gz QYNWFCPFWPUBJB-UHFFFAOYSA-N 0 3 269.305 0.248 20 5 CCBDHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000588864688 359344262 /nfs/dbraw/zinc/34/42/62/359344262.db2.gz ORGANYJHEUMCHZ-NSHDSACASA-N 0 3 281.312 0.556 20 5 CCBDHN Cc1c(CC(=O)N[C@H](CO)CN(C)C)cccc1[N+](=O)[O-] ZINC000588866984 359344433 /nfs/dbraw/zinc/34/44/33/359344433.db2.gz URSVIOMKLFNWFC-LBPRGKRZSA-N 0 3 295.339 0.484 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@@H]2C1 ZINC000590447531 359470139 /nfs/dbraw/zinc/47/01/39/359470139.db2.gz XRCCLAMYATUAJL-VXNVDRBHSA-N 0 3 265.273 0.094 20 5 CCBDHN CN1CC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C[C@@H]21 ZINC000590720104 359511406 /nfs/dbraw/zinc/51/14/06/359511406.db2.gz LXLRURKAEPFRIZ-RNCFNFMXSA-N 0 3 292.339 0.810 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)N ZINC000297354113 200160303 /nfs/dbraw/zinc/16/03/03/200160303.db2.gz JQPHBHOAYPNKAU-UHFFFAOYSA-N 0 3 267.285 0.957 20 5 CCBDHN CC(C)[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1 ZINC000592242950 359804544 /nfs/dbraw/zinc/80/45/44/359804544.db2.gz XFKVXEVJUWPPCN-SECBINFHSA-N 0 3 281.316 0.398 20 5 CCBDHN CC[C@@H](CN1CCCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000611236556 363689960 /nfs/dbraw/zinc/68/99/60/363689960.db2.gz YHPDICLIVZGNEP-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN CN(CCN1CCCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000593883383 360193289 /nfs/dbraw/zinc/19/32/89/360193289.db2.gz MIEYXMBLUVQHSE-UHFFFAOYSA-N 0 3 295.343 0.736 20 5 CCBDHN O=[N+]([O-])c1cn(C[C@H]2CNCCO2)nc1C1CC1 ZINC000594694671 360360188 /nfs/dbraw/zinc/36/01/88/360360188.db2.gz ANYCITGNROOFFH-SECBINFHSA-N 0 3 252.274 0.657 20 5 CCBDHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595104079 360436753 /nfs/dbraw/zinc/43/67/53/360436753.db2.gz FTEGHBBKJUSYCF-ZETCQYMHSA-N 0 3 274.302 0.005 20 5 CCBDHN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595114343 360438331 /nfs/dbraw/zinc/43/83/31/360438331.db2.gz WWKYXZFUISITSD-SFYZADRCSA-N 0 3 288.329 0.394 20 5 CCBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCCNCC1 ZINC000178361138 189110311 /nfs/dbraw/zinc/11/03/11/189110311.db2.gz GQUKPHCTMFLNRU-UHFFFAOYSA-N 0 3 278.312 0.829 20 5 CCBDHN C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC000596050508 360780923 /nfs/dbraw/zinc/78/09/23/360780923.db2.gz KPDVEELCSQOMRD-JTQLQIEISA-N 0 3 286.313 0.020 20 5 CCBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596151660 360813381 /nfs/dbraw/zinc/81/33/81/360813381.db2.gz IQFSCTFHMXUKHC-UHFFFAOYSA-N 0 3 266.301 0.692 20 5 CCBDHN CCCN1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000598341466 361390856 /nfs/dbraw/zinc/39/08/56/361390856.db2.gz CDHOEEVZOLVYAY-LLVKDONJSA-N 0 3 295.343 0.782 20 5 CCBDHN CCc1n[nH]c(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598574637 361447872 /nfs/dbraw/zinc/44/78/72/361447872.db2.gz SJBKBNPBPNOOHM-JTQLQIEISA-N 0 3 295.343 0.950 20 5 CCBDHN CCc1[nH]nc(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598574637 361447875 /nfs/dbraw/zinc/44/78/75/361447875.db2.gz SJBKBNPBPNOOHM-JTQLQIEISA-N 0 3 295.343 0.950 20 5 CCBDHN Nc1ccnc2c1CN(c1ncc([N+](=O)[O-])cn1)CC2 ZINC000598942616 361535089 /nfs/dbraw/zinc/53/50/89/361535089.db2.gz NFDAYJBQEXCIIQ-UHFFFAOYSA-N 0 3 272.268 0.925 20 5 CCBDHN Nc1nc(NC[C@@H]2CCN2C2CCCC2)ncc1[N+](=O)[O-] ZINC000599165801 361596033 /nfs/dbraw/zinc/59/60/33/361596033.db2.gz SVOKXAAFUKFCBG-JTQLQIEISA-N 0 3 292.343 0.648 20 5 CCBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1CO ZINC000248966128 285093395 /nfs/dbraw/zinc/09/33/95/285093395.db2.gz RWLUDGWETQCAEC-JQWIXIFHSA-N 0 3 281.312 0.459 20 5 CCBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285876251 388809158 /nfs/dbraw/zinc/80/91/58/388809158.db2.gz JGHJYNWBZRXYEQ-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN CNC(=O)[C@@H](NCCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000183635907 388760547 /nfs/dbraw/zinc/76/05/47/388760547.db2.gz KBTZYPJJZXLHNX-JTQLQIEISA-N 0 3 269.305 0.152 20 5 CCBDHN Nc1ccc(N2CCCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000283711951 388768431 /nfs/dbraw/zinc/76/84/31/388768431.db2.gz FAVVNUAGAOXYDX-UHFFFAOYSA-N 0 3 280.328 0.681 20 5 CCBDHN CCCCN(C)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000112310228 389122842 /nfs/dbraw/zinc/12/28/42/389122842.db2.gz JOZPSCAOAFQSPP-UHFFFAOYSA-N 0 3 283.332 0.639 20 5 CCBDHN CCCCN(C)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000112310497 389123199 /nfs/dbraw/zinc/12/31/99/389123199.db2.gz LFZDENPFUJBDQD-UHFFFAOYSA-N 0 3 297.359 0.948 20 5 CCBDHN CN(CC(=O)N1CCCNCC1)c1ccccc1[N+](=O)[O-] ZINC000237324166 389186941 /nfs/dbraw/zinc/18/69/41/389186941.db2.gz CMAWKPYXPMHOJN-UHFFFAOYSA-N 0 3 292.339 0.853 20 5 CCBDHN C[C@@H]1OCC[C@H]1N(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000361562154 389220113 /nfs/dbraw/zinc/22/01/13/389220113.db2.gz HYQDAAPSKGAILJ-CMPLNLGQSA-N 0 3 284.316 0.263 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000347631777 389354916 /nfs/dbraw/zinc/35/49/16/389354916.db2.gz QSNANKAQERVGMG-MRVPVSSYSA-N 0 3 273.314 0.529 20 5 CCBDHN CN1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000273706470 389477593 /nfs/dbraw/zinc/47/75/93/389477593.db2.gz DNIJVGKVIJEVTG-MWLCHTKSSA-N 0 3 263.301 0.915 20 5 CCBDHN CS[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1N(C)C ZINC000271998822 389454709 /nfs/dbraw/zinc/45/47/09/389454709.db2.gz HSXPAFYOKGMNHA-WDEREUQCSA-N 0 3 299.400 0.769 20 5 CCBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ncccc1[N+](=O)[O-] ZINC000591982435 390361499 /nfs/dbraw/zinc/36/14/99/390361499.db2.gz LUVAFVYWCUKUOF-JTQLQIEISA-N 0 3 293.327 0.546 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCN[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269177184 132125386 /nfs/dbraw/zinc/12/53/86/132125386.db2.gz BWUNXOHUNYTCPN-LURJTMIESA-N 0 3 253.262 0.060 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCN[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269177184 132125387 /nfs/dbraw/zinc/12/53/87/132125387.db2.gz BWUNXOHUNYTCPN-LURJTMIESA-N 0 3 253.262 0.060 20 5 CCBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000548523998 286045664 /nfs/dbraw/zinc/04/56/64/286045664.db2.gz NMSCMBSAGXYNGK-SECBINFHSA-N 0 3 295.343 0.952 20 5 CCBDHN COc1ccc(CNCCC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000548832111 286072729 /nfs/dbraw/zinc/07/27/29/286072729.db2.gz FGECIKPCXURJLQ-UHFFFAOYSA-N 0 3 296.283 0.278 20 5 CCBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H](N2CCCC2)C1 ZINC000552141865 286154967 /nfs/dbraw/zinc/15/49/67/286154967.db2.gz FWJSXAYUSXCJBZ-VIFPVBQESA-N 0 3 279.300 0.628 20 5 CCBDHN NC(=O)C1(O)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000284393030 196046385 /nfs/dbraw/zinc/04/63/85/196046385.db2.gz VVIZDMANBMZLHK-UHFFFAOYSA-N 0 3 293.323 0.450 20 5 CCBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285303212 196246143 /nfs/dbraw/zinc/24/61/43/196246143.db2.gz LIZOOUWXSXFOMR-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C1=CCN(C)CC1 ZINC000285500767 196306920 /nfs/dbraw/zinc/30/69/20/196306920.db2.gz ATFUJUGPIQCAMK-QMMMGPOBSA-N 0 3 279.300 0.698 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285658030 196357887 /nfs/dbraw/zinc/35/78/87/196357887.db2.gz MAZWDYOZOWKZMF-OIBJUYFYSA-N 0 3 279.300 0.530 20 5 CCBDHN CNc1ccc(C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000055379170 175577269 /nfs/dbraw/zinc/57/72/69/175577269.db2.gz VGIDLRUKPSYUAF-UHFFFAOYSA-N 0 3 266.301 0.928 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C2CC2)n1 ZINC000191894343 227206384 /nfs/dbraw/zinc/20/63/84/227206384.db2.gz RUQPIXCRFDBYAC-UHFFFAOYSA-N 0 3 295.343 0.977 20 5 CCBDHN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111303424 278250649 /nfs/dbraw/zinc/25/06/49/278250649.db2.gz IQXHLKXDHJEZOE-ZETCQYMHSA-N 0 3 259.287 0.220 20 5 CCBDHN C[C@H](NC[C@H](O)CN(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595417 581117723 /nfs/dbraw/zinc/11/77/23/581117723.db2.gz SXHGBNBMHLXHNN-ONGXEEELSA-N 0 3 282.344 0.750 20 5 CCBDHN COCCCN(CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782576798 581308868 /nfs/dbraw/zinc/30/88/68/581308868.db2.gz INWJGOIZIJBGEO-CQSZACIVSA-N 0 3 298.339 0.959 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCC[C@H]1C ZINC000742242602 581775321 /nfs/dbraw/zinc/77/53/21/581775321.db2.gz ZHCJLWZZOIFALC-SNVBAGLBSA-N 0 3 295.343 0.700 20 5 CCBDHN CN1CCC(ONC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000773550818 581932775 /nfs/dbraw/zinc/93/27/75/581932775.db2.gz MHOABQBUIADRKL-UHFFFAOYSA-N 0 3 294.311 0.933 20 5 CCBDHN CC(=O)NCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749644139 582016568 /nfs/dbraw/zinc/01/65/68/582016568.db2.gz CYYFFOQGMTUYHO-GFCCVEGCSA-N 0 3 267.285 0.354 20 5 CCBDHN CCC(=O)N1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108185 614542720 /nfs/dbraw/zinc/54/27/20/614542720.db2.gz BYBMKFOJRYKUSL-ZJUUUORDSA-N 0 3 272.301 0.986 20 5 CCBDHN CCC(=O)N1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813103558 614706772 /nfs/dbraw/zinc/70/67/72/614706772.db2.gz QKIFEAOZBGGORW-IUCAKERBSA-N 0 3 258.274 0.453 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871154795 616229360 /nfs/dbraw/zinc/22/93/60/616229360.db2.gz JHAZEGKCBCSVNJ-UHFFFAOYSA-N 0 3 295.343 0.885 20 5 CCBDHN CN1CCN(C[C@H](NCC[N+](=O)[O-])c2ccccc2)CC1 ZINC000905090496 616243715 /nfs/dbraw/zinc/24/37/15/616243715.db2.gz WMYQGCSHELRXQZ-HNNXBMFYSA-N 0 3 292.383 0.841 20 5 CCBDHN COC(=O)[C@@]1(O)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000880562168 616560104 /nfs/dbraw/zinc/56/01/04/616560104.db2.gz VBWLNSWASFNRSB-CQSZACIVSA-N 0 3 294.307 0.747 20 5 CCBDHN COCCn1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000870376097 616730190 /nfs/dbraw/zinc/73/01/90/616730190.db2.gz AKCNSEAWZFCKNA-QMMMGPOBSA-N 0 3 257.246 0.352 20 5 CCBDHN CO[C@H]1CC[C@H]1N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000934115727 617106318 /nfs/dbraw/zinc/10/63/18/617106318.db2.gz SFFLHATZGVWOFW-NEPJUHHUSA-N 0 3 281.312 0.866 20 5 CCBDHN Cc1conc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063451 624870051 /nfs/dbraw/zinc/87/00/51/624870051.db2.gz BOFNJVLEYSEPSD-DTHBNOIPSA-N 0 3 294.311 0.385 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCN1C1CCOCC1 ZINC000896516101 632263587 /nfs/dbraw/zinc/26/35/87/632263587.db2.gz MPYKHFJNMDHYHC-LLVKDONJSA-N 0 3 295.343 0.994 20 5 CCBDHN O=[N+]([O-])CCNCCc1cnc2c(Cl)cnn2c1 ZINC000905272840 634835349 /nfs/dbraw/zinc/83/53/49/634835349.db2.gz JCAODGGITOWQTR-UHFFFAOYSA-N 0 3 269.692 0.792 20 5 CCBDHN CC(COC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)[N+](=O)[O-] ZINC000813108200 641023033 /nfs/dbraw/zinc/02/30/33/641023033.db2.gz VKOUOWYRTDURDQ-UWVGGRQHSA-N 0 3 284.312 0.986 20 5 CCBDHN CC(COC(=O)c1cccc(-n2cnnn2)c1)[N+](=O)[O-] ZINC000813109883 641023353 /nfs/dbraw/zinc/02/33/53/641023353.db2.gz PXCITQZFGIAUIA-QMMMGPOBSA-N 0 3 277.240 0.484 20 5 CCBDHN CC(COC(=O)CCS(=O)(=O)C1CCCC1)[N+](=O)[O-] ZINC000813107390 641023761 /nfs/dbraw/zinc/02/37/61/641023761.db2.gz MVAOTCKDRIEBHA-VIFPVBQESA-N 0 3 293.341 0.942 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000826763875 641956626 /nfs/dbraw/zinc/95/66/26/641956626.db2.gz SSKMPNFNNGFEHG-LLVKDONJSA-N 0 3 295.343 0.556 20 5 CCBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000854014609 644169604 /nfs/dbraw/zinc/16/96/04/644169604.db2.gz HMPKWTBVWCTELS-UHFFFAOYSA-N 0 3 295.270 0.548 20 5 CCBDHN Nc1ccc(NCCN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000858812517 644651260 /nfs/dbraw/zinc/65/12/60/644651260.db2.gz QBFAVKGPCWKTDX-SNVBAGLBSA-N 0 3 266.301 0.656 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@H](C)C1 ZINC000878315890 646891611 /nfs/dbraw/zinc/89/16/11/646891611.db2.gz DFAOYSVDWLVJIY-SNVBAGLBSA-N 0 3 267.333 0.736 20 5 CCBDHN O=C1CC2(CCC2)N(CCn2ccc([N+](=O)[O-])n2)CCN1 ZINC000880170632 647166506 /nfs/dbraw/zinc/16/65/06/647166506.db2.gz SPXQYWANESZGJG-UHFFFAOYSA-N 0 3 293.327 0.536 20 5 CCBDHN O=[N+]([O-])c1cccc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000886258129 647943649 /nfs/dbraw/zinc/94/36/49/647943649.db2.gz WNIYFFCFUWZCKS-YHPBZONMSA-N 0 3 252.270 0.569 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCN(C)C ZINC000934010488 649153884 /nfs/dbraw/zinc/15/38/84/649153884.db2.gz CWQBITTYXXRSHA-UHFFFAOYSA-N 0 3 269.305 0.120 20 5 CCBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000702063224 790601911 /nfs/dbraw/zinc/60/19/11/790601911.db2.gz VQVAQLSBAXWMJC-KXUCPTDWSA-N 0 3 281.316 0.389 20 5 CCBDHN O=C(OCCC[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC001123123913 799359781 /nfs/dbraw/zinc/35/97/81/799359781.db2.gz ZGULQGRNERWKBP-SNVBAGLBSA-N 0 3 270.285 0.597 20 5 CCBDHN CN1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001156590520 801192674 /nfs/dbraw/zinc/19/26/74/801192674.db2.gz MWUNTMFVTNCINO-LLVKDONJSA-N 0 3 295.343 0.638 20 5 CCBDHN Cc1cc(Cl)nc(-n2nncc2CN)c1[N+](=O)[O-] ZINC001158420535 801637619 /nfs/dbraw/zinc/63/76/19/801637619.db2.gz SNKUZERTXLYMTD-UHFFFAOYSA-N 0 3 268.664 0.991 20 5 CCBDHN COc1cnc(N2CCNC3(CC3)C2)c([N+](=O)[O-])c1 ZINC001158936381 801724994 /nfs/dbraw/zinc/72/49/94/801724994.db2.gz FNGJZQZHJZHILM-UHFFFAOYSA-N 0 3 264.285 0.941 20 5 CCBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000702063226 809875009 /nfs/dbraw/zinc/87/50/09/809875009.db2.gz VQVAQLSBAXWMJC-UTLUCORTSA-N 0 3 281.316 0.389 20 5 CCBDHN CCN(CCNCc1cnns1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268449971 812578425 /nfs/dbraw/zinc/57/84/25/812578425.db2.gz MAFJVTBLQKYUNN-NXEZZACHSA-N 0 3 299.356 0.141 20 5 CCBDHN CC(C)CCN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030294981 815963281 /nfs/dbraw/zinc/96/32/81/815963281.db2.gz ZOKNFBRVKCWGLI-GHMZBOCLSA-N 0 3 255.318 0.498 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701050439 818889948 /nfs/dbraw/zinc/88/99/48/818889948.db2.gz IATPVRIXMJKFRR-MRVPVSSYSA-N 0 3 299.714 0.966 20 5 CCBDHN CN(C1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)[C@@H]1CCOC1 ZINC001169033867 836108957 /nfs/dbraw/zinc/10/89/57/836108957.db2.gz DMJCHIIJXNMBNR-FRRDWIJNSA-N 0 3 283.372 0.837 20 5 CCBDHN CC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)C1 ZINC001169035920 836109780 /nfs/dbraw/zinc/10/97/80/836109780.db2.gz DWESSRMMHYBGPY-WCFLWFBJSA-N 0 3 269.345 0.984 20 5 CCBDHN O=c1[n-]n([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1C[NH2+]CC2 ZINC001169049641 836116367 /nfs/dbraw/zinc/11/63/67/836116367.db2.gz XDIAKWMEONWOFH-RKDXNWHRSA-N 0 3 266.301 0.852 20 5 CCBDHN COC(=O)C1(O)CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046311 836116702 /nfs/dbraw/zinc/11/67/02/836116702.db2.gz KHOUIQFILGAZQT-QWRGUYRKSA-N 0 3 286.328 0.432 20 5 CCBDHN COc1nc(-n2ccc([C@@H](C)N)n2)nc(C)c1[N+](=O)[O-] ZINC001169228132 836163235 /nfs/dbraw/zinc/16/32/35/836163235.db2.gz MXYCXWUAHKEWRA-ZCFIWIBFSA-N 0 3 278.272 0.907 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc([C@H](C)N)n2)n1 ZINC001169228170 836163288 /nfs/dbraw/zinc/16/32/88/836163288.db2.gz NJHTZIJRKBWOJZ-ZETCQYMHSA-N 0 3 291.267 0.982 20 5 CCBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1nncc1CN ZINC001169312052 836191466 /nfs/dbraw/zinc/19/14/66/836191466.db2.gz ZVHPRJUQFZWBON-UHFFFAOYSA-N 0 3 291.267 0.729 20 5 CCBDHN COc1ccc(C[C@@H](C)N[C@@H](C)C(N)=O)c([N+](=O)[O-])c1 ZINC001170294864 837286023 /nfs/dbraw/zinc/28/60/23/837286023.db2.gz DSBUCCIXMWWXQK-BDAKNGLRSA-N 0 3 281.312 0.998 20 5 CCBDHN CC(COC(=O)C1(n2cnnn2)CCCCC1)[N+](=O)[O-] ZINC000845577839 840062982 /nfs/dbraw/zinc/06/29/82/840062982.db2.gz YRDBRXDEIDOZTQ-VIFPVBQESA-N 0 3 283.288 0.541 20 5 CCBDHN C[C@H](O)[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000717285972 848217036 /nfs/dbraw/zinc/21/70/36/848217036.db2.gz ADRCDAZXSSDTLQ-HOTUBEGUSA-N 0 3 254.286 0.987 20 5 CCBDHN Cc1ccc(CNC[C@H](O)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000717289048 848218332 /nfs/dbraw/zinc/21/83/32/848218332.db2.gz SEFYYRRPZBELMU-SKDRFNHKSA-N 0 3 254.286 0.735 20 5 CCBDHN O=C1NCCCC[C@@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001120472765 857081598 /nfs/dbraw/zinc/08/15/98/857081598.db2.gz SJNYCXOKRXPHFP-STQMWFEESA-N 0 3 293.323 0.887 20 5 CCBDHN CC(COC(=O)[C@H]1CNC(=O)c2ccccc21)[N+](=O)[O-] ZINC000860777712 900747703 /nfs/dbraw/zinc/74/77/03/900747703.db2.gz UBJQZLSGZLNJDB-KWQFWETISA-N 0 3 278.264 0.722 20 5 CCBDHN CCN(CCNCc1ccn(C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320734395 910830791 /nfs/dbraw/zinc/83/07/91/910830791.db2.gz IZAUKQGEJUURKJ-VXGBXAGGSA-N 0 3 295.343 0.023 20 5 CCBDHN Cc1cncc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC001322682275 911912801 /nfs/dbraw/zinc/91/28/01/911912801.db2.gz GUGQRKDLMYMNCM-RYUDHWBXSA-N 0 3 292.339 0.995 20 5 CCBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001342553319 922999831 /nfs/dbraw/zinc/99/98/31/922999831.db2.gz JITQHBUTKYCBRJ-DCAQKATOSA-N 0 3 295.343 0.779 20 5 CCBDHN CNc1ccc(C(=O)NOCCN(C)C)cc1[N+](=O)[O-] ZINC001351012066 925338296 /nfs/dbraw/zinc/33/82/96/925338296.db2.gz FQYIBSMELFQINF-UHFFFAOYSA-N 0 3 282.300 0.860 20 5 CCBDHN CCc1nn(C)c(N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001472888134 926184433 /nfs/dbraw/zinc/18/44/33/926184433.db2.gz CWBWSEYLLGCBSD-SECBINFHSA-N 0 3 295.343 0.458 20 5 CCBDHN CC(C)N(CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090519035 349437896 /nfs/dbraw/zinc/43/78/96/349437896.db2.gz DUPRQTCEQPHESB-UHFFFAOYSA-N 0 3 269.301 0.459 20 5 CCBDHN CCN(CCOCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000337441883 214085095 /nfs/dbraw/zinc/08/50/95/214085095.db2.gz MSYGRNZUSKWOPE-UHFFFAOYSA-N 0 3 272.305 0.122 20 5 CCBDHN CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599986481 361846493 /nfs/dbraw/zinc/84/64/93/361846493.db2.gz UYOWUOULNGXHFJ-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCNCC1 ZINC000237583671 282166754 /nfs/dbraw/zinc/16/67/54/282166754.db2.gz BWSTXNSBAPMFJW-UHFFFAOYSA-N 0 3 264.285 0.734 20 5 CCBDHN CC[C@@H]1[C@H](CO)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451249883 529485863 /nfs/dbraw/zinc/48/58/63/529485863.db2.gz CRRBSKYCPMRCIA-WCQYABFASA-N 0 3 295.339 0.849 20 5 CCBDHN O=c1[nH]ccc(N2CC(N3CCCC3)C2)c1[N+](=O)[O-] ZINC000601193183 362172138 /nfs/dbraw/zinc/17/21/38/362172138.db2.gz ATXQXXIYMVSAIJ-UHFFFAOYSA-N 0 3 264.285 0.980 20 5 CCBDHN CN1CC[C@@](O)(CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000450435853 529800067 /nfs/dbraw/zinc/80/00/67/529800067.db2.gz FXHZAXIXAOXSMV-CYBMUJFWSA-N 0 3 291.311 0.372 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CCOC1 ZINC000602776480 362794847 /nfs/dbraw/zinc/79/48/47/362794847.db2.gz SLYMQCPPUGGJPM-JTQLQIEISA-N 0 3 254.290 0.820 20 5 CCBDHN CNC(=O)[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602782963 362798905 /nfs/dbraw/zinc/79/89/05/362798905.db2.gz KXQJKIZUWWGPRO-LLVKDONJSA-N 0 3 295.343 0.558 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C1(CO)CC1 ZINC000602825876 362821914 /nfs/dbraw/zinc/82/19/14/362821914.db2.gz GFGHVJNSCLKEKQ-UHFFFAOYSA-N 0 3 254.290 0.556 20 5 CCBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(C2CC2)C1 ZINC000347020993 137315763 /nfs/dbraw/zinc/31/57/63/137315763.db2.gz ZEFLHMRRUPGGPZ-LLVKDONJSA-N 0 3 293.327 0.486 20 5 CCBDHN CC[C@@]1(O)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000602983706 362922361 /nfs/dbraw/zinc/92/23/61/362922361.db2.gz QWLVIDVJNZWGPG-CQSZACIVSA-N 0 3 295.339 0.993 20 5 CCBDHN Cc1ccc(S(=O)(=O)NCCNC2CC2)cc1[N+](=O)[O-] ZINC000054266978 348547284 /nfs/dbraw/zinc/54/72/84/348547284.db2.gz OXIGBOSEEQSHMX-UHFFFAOYSA-N 0 3 299.352 0.934 20 5 CCBDHN C[C@H]1[C@H](CO)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000412098641 233057876 /nfs/dbraw/zinc/05/78/76/233057876.db2.gz VSCQQJCEDUTGPV-RYUDHWBXSA-N 0 3 295.339 0.849 20 5 CCBDHN CNCCN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000070303966 348883533 /nfs/dbraw/zinc/88/35/33/348883533.db2.gz UMNNLYBEIASUDC-UHFFFAOYSA-N 0 3 287.341 0.743 20 5 CCBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)CN1 ZINC000086467735 349340182 /nfs/dbraw/zinc/34/01/82/349340182.db2.gz WCIQKXYEUSKHRT-BDAKNGLRSA-N 0 3 266.301 0.756 20 5 CCBDHN C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN1 ZINC000088060205 349355694 /nfs/dbraw/zinc/35/56/94/349355694.db2.gz UNPBAQLUYSJOCY-SNVBAGLBSA-N 0 3 278.312 0.827 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC000134256199 350358563 /nfs/dbraw/zinc/35/85/63/350358563.db2.gz KHROMPMZUPICIL-SECBINFHSA-N 0 3 265.269 0.313 20 5 CCBDHN Cc1cc(NC[C@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC000134266177 350359450 /nfs/dbraw/zinc/35/94/50/350359450.db2.gz GHPKVGSDZPKJJM-SECBINFHSA-N 0 3 252.274 0.699 20 5 CCBDHN CN(CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000153142059 350553720 /nfs/dbraw/zinc/55/37/20/350553720.db2.gz UQOMKKUBOZZJOP-UHFFFAOYSA-N 0 3 267.285 0.848 20 5 CCBDHN CN1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000109992110 186282000 /nfs/dbraw/zinc/28/20/00/186282000.db2.gz DGGBZCSZEAKWAW-QMMMGPOBSA-N 0 3 296.302 0.998 20 5 CCBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CNCCO1 ZINC000157362691 350644712 /nfs/dbraw/zinc/64/47/12/350644712.db2.gz NNPWVJAUABKFFJ-YIALFULDSA-N 0 3 291.307 0.713 20 5 CCBDHN CCc1n[nH]c(C(=O)NCCN(C)CCOC)c1[N+](=O)[O-] ZINC000171807581 350935763 /nfs/dbraw/zinc/93/57/63/350935763.db2.gz FTYXVDJKJVQYSZ-UHFFFAOYSA-N 0 3 299.331 0.188 20 5 CCBDHN CO[C@@H](CN)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000227356660 352046663 /nfs/dbraw/zinc/04/66/63/352046663.db2.gz ZDGYSFZZIUEWCT-JTQLQIEISA-N 0 3 253.258 0.815 20 5 CCBDHN CO[C@H](CN)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000227356589 352046666 /nfs/dbraw/zinc/04/66/66/352046666.db2.gz FGRXSQWHPBPCBZ-SNVBAGLBSA-N 0 3 253.258 0.815 20 5 CCBDHN CO[C@@H](CN)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000227361069 352047080 /nfs/dbraw/zinc/04/70/80/352047080.db2.gz NLGGBRMTBUKHME-KWQFWETISA-N 0 3 267.285 0.746 20 5 CCBDHN Cc1cnccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000228671806 352079610 /nfs/dbraw/zinc/07/96/10/352079610.db2.gz BSXYSLMCMAWRBK-ZDUSSCGKSA-N 0 3 291.311 0.645 20 5 CCBDHN C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)CN1 ZINC000237636405 352276442 /nfs/dbraw/zinc/27/64/42/352276442.db2.gz QIMXPRQDMDCMET-YUMQZZPRSA-N 0 3 267.289 0.151 20 5 CCBDHN CNC(=O)[C@H](C)CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269629395 352855682 /nfs/dbraw/zinc/85/56/82/352855682.db2.gz DUPIWZNGNQSYSG-MFKMUULPSA-N 0 3 295.339 0.942 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1CO ZINC000269904923 352885137 /nfs/dbraw/zinc/88/51/37/352885137.db2.gz PBWVDKCXXKMTNE-NSHDSACASA-N 0 3 267.285 0.213 20 5 CCBDHN COC[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270549603 352947179 /nfs/dbraw/zinc/94/71/79/352947179.db2.gz GOFPIIBYMQMSIM-LLVKDONJSA-N 0 3 281.312 0.725 20 5 CCBDHN CC(C)N1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000270657806 352964076 /nfs/dbraw/zinc/96/40/76/352964076.db2.gz BQMFYNPCDSJXJI-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000152729676 188039591 /nfs/dbraw/zinc/03/95/91/188039591.db2.gz IWJDNRGOJFNBMB-NSHDSACASA-N 0 3 287.341 0.699 20 5 CCBDHN C[C@]1(C(N)=O)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280815788 353385032 /nfs/dbraw/zinc/38/50/32/353385032.db2.gz UGINTHUMISPTRW-JSGCOSHPSA-N 0 3 293.323 0.826 20 5 CCBDHN CN(CCOCCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000282276006 353409900 /nfs/dbraw/zinc/40/99/00/353409900.db2.gz DPSRZEURKWDRQD-UHFFFAOYSA-N 0 3 284.312 0.914 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)CN(C)C ZINC000286934399 353618708 /nfs/dbraw/zinc/61/87/08/353618708.db2.gz JKGYUKSDVNZPAT-QMMMGPOBSA-N 0 3 269.305 0.166 20 5 CCBDHN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000320823889 354227562 /nfs/dbraw/zinc/22/75/62/354227562.db2.gz JMAFQQXSXNJQFS-IUCAKERBSA-N 0 3 287.341 0.999 20 5 CCBDHN Cn1c(C(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000330474922 354373445 /nfs/dbraw/zinc/37/34/45/354373445.db2.gz FDHDMWASYSQPGT-UHFFFAOYSA-N 0 3 266.301 0.757 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144450 358497909 /nfs/dbraw/zinc/49/79/09/358497909.db2.gz MCGFAIGOXWIJOS-VIFPVBQESA-N 0 3 264.285 0.814 20 5 CCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1CO ZINC000362090767 138046458 /nfs/dbraw/zinc/04/64/58/138046458.db2.gz OOOIKQNTEPPXBW-UWVGGRQHSA-N 0 3 254.290 0.352 20 5 CCBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000449518565 236035288 /nfs/dbraw/zinc/03/52/88/236035288.db2.gz AYPUFGXPCBUMNN-PHIMTYICSA-N 0 3 275.264 0.299 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000405290645 357824041 /nfs/dbraw/zinc/82/40/41/357824041.db2.gz ZUJWEUJQDASKAQ-WDEREUQCSA-N 0 3 293.323 0.859 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408226535 357981084 /nfs/dbraw/zinc/98/10/84/357981084.db2.gz OKZMTJLYBVUSRD-IONNQARKSA-N 0 3 281.316 0.839 20 5 CCBDHN CN(C)C(=O)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573833848 359003549 /nfs/dbraw/zinc/00/35/49/359003549.db2.gz DXPPWOJNEVIHQI-JTQLQIEISA-N 0 3 297.311 0.012 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000589101375 359359012 /nfs/dbraw/zinc/35/90/12/359359012.db2.gz BHGGJXOXZHIPFX-ZETCQYMHSA-N 0 3 285.329 0.638 20 5 CCBDHN Cc1ccnc(N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000589101410 359359057 /nfs/dbraw/zinc/35/90/57/359359057.db2.gz CMZWQMMJYBNVHE-VIFPVBQESA-N 0 3 254.290 0.633 20 5 CCBDHN Cc1ccnc(N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000589101409 359359198 /nfs/dbraw/zinc/35/91/98/359359198.db2.gz CMZWQMMJYBNVHE-SECBINFHSA-N 0 3 254.290 0.633 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590044654 359418738 /nfs/dbraw/zinc/41/87/38/359418738.db2.gz KNUIVZVPYRDDCK-WDEREUQCSA-N 0 3 293.327 0.262 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590445028 359467992 /nfs/dbraw/zinc/46/79/92/359467992.db2.gz PLCVKUKIJAJDHN-BXKDBHETSA-N 0 3 290.323 0.953 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000590445122 359468257 /nfs/dbraw/zinc/46/82/57/359468257.db2.gz QTSUSICHDCXNSB-BDAKNGLRSA-N 0 3 279.300 0.104 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000177045139 189023756 /nfs/dbraw/zinc/02/37/56/189023756.db2.gz OFCADTTVIFLLFL-NXEZZACHSA-N 0 3 293.327 0.533 20 5 CCBDHN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595108587 360437193 /nfs/dbraw/zinc/43/71/93/360437193.db2.gz RDJNMDQYPUTYLC-SSDOTTSWSA-N 0 3 274.302 0.005 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595606535 360594049 /nfs/dbraw/zinc/59/40/49/360594049.db2.gz HPNRPPNDZCGPPB-LLVKDONJSA-N 0 3 291.315 0.405 20 5 CCBDHN O=c1[n-]ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000596083206 360790929 /nfs/dbraw/zinc/79/09/29/360790929.db2.gz PYDDEZNOZHBPGS-OCAPTIKFSA-N 0 3 250.258 0.351 20 5 CCBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000596097094 360792665 /nfs/dbraw/zinc/79/26/65/360792665.db2.gz BHBASFOUJQNZKC-UHFFFAOYSA-N 0 3 283.309 0.471 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC2(CNC2)C1 ZINC000596097013 360793336 /nfs/dbraw/zinc/79/33/36/360793336.db2.gz CDHJRUNUAXOPJV-UHFFFAOYSA-N 0 3 292.295 0.113 20 5 CCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000596097205 360794233 /nfs/dbraw/zinc/79/42/33/360794233.db2.gz CUWSAPURBUDFDN-UHFFFAOYSA-N 0 3 291.307 0.338 20 5 CCBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596105539 360796693 /nfs/dbraw/zinc/79/66/93/360796693.db2.gz UPAQTQHLVXXNSZ-UHFFFAOYSA-N 0 3 296.327 0.684 20 5 CCBDHN CC(C)(C)N1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000597922933 361283445 /nfs/dbraw/zinc/28/34/45/361283445.db2.gz HDCPCHQGORBDTG-JTQLQIEISA-N 0 3 295.343 0.780 20 5 CCBDHN CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCN(CC)C1 ZINC000598040703 361321531 /nfs/dbraw/zinc/32/15/31/361321531.db2.gz QSVIGAGWORLUMV-SNVBAGLBSA-N 0 3 295.343 0.885 20 5 CCBDHN CN1CC[C@@H](CSc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000564102516 291267140 /nfs/dbraw/zinc/26/71/40/291267140.db2.gz RRJFEDRMMFCEME-SSDOTTSWSA-N 0 3 269.330 0.841 20 5 CCBDHN CC(C)[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCN1 ZINC000598572125 361447841 /nfs/dbraw/zinc/44/78/41/361447841.db2.gz LJXYCMZIHXOAME-JTQLQIEISA-N 0 3 293.327 0.472 20 5 CCBDHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000598648950 361472848 /nfs/dbraw/zinc/47/28/48/361472848.db2.gz JEQBSKLZBBJPOZ-NQBHXWOUSA-N 0 3 298.343 0.103 20 5 CCBDHN CCN(CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000183926720 189371423 /nfs/dbraw/zinc/37/14/23/189371423.db2.gz GUHWUSZWLSMKTK-UHFFFAOYSA-N 0 3 295.339 0.947 20 5 CCBDHN CCN(CCO)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000183939689 189372115 /nfs/dbraw/zinc/37/21/15/189372115.db2.gz MXCZMAXGLKLNNC-UHFFFAOYSA-N 0 3 295.339 0.568 20 5 CCBDHN COC(=O)NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000496604291 240237894 /nfs/dbraw/zinc/23/78/94/240237894.db2.gz FKKWARVIKLEIGQ-NSHDSACASA-N 0 3 283.284 0.574 20 5 CCBDHN C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N(C)C ZINC000330667512 203096167 /nfs/dbraw/zinc/09/61/67/203096167.db2.gz YREDENKQUQWIGT-ZETCQYMHSA-N 0 3 255.278 0.008 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000262743763 190061798 /nfs/dbraw/zinc/06/17/98/190061798.db2.gz FHPHZHDRKANXHG-VHSXEESVSA-N 0 3 281.316 0.390 20 5 CCBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000264221954 190097230 /nfs/dbraw/zinc/09/72/30/190097230.db2.gz WDDPPZIERYFBJR-UHFFFAOYSA-N 0 3 285.300 0.838 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCN2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000459681864 249052493 /nfs/dbraw/zinc/05/24/93/249052493.db2.gz DQSMDNMPOGGLSO-GXFFZTMASA-N 0 3 282.296 0.259 20 5 CCBDHN CN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000131123984 284798604 /nfs/dbraw/zinc/79/86/04/284798604.db2.gz IOBSBWMYPXFGQV-UHFFFAOYSA-N 0 3 269.276 0.954 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1C[C@@H](O)C1 ZINC000572120966 291858511 /nfs/dbraw/zinc/85/85/11/291858511.db2.gz HYQJQWHEQVSNOP-OUAUKWLOSA-N 0 3 282.296 0.447 20 5 CCBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C ZINC000285831372 388803108 /nfs/dbraw/zinc/80/31/08/388803108.db2.gz VYPBPLUEUHJJHZ-RKDXNWHRSA-N 0 3 281.316 0.873 20 5 CCBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285983410 388821263 /nfs/dbraw/zinc/82/12/63/388821263.db2.gz FYNGOSIPCFNIPH-SECBINFHSA-N 0 3 281.316 0.921 20 5 CCBDHN CCNC(=O)[C@@H](NCCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000293314055 388981957 /nfs/dbraw/zinc/98/19/57/388981957.db2.gz QNMRSNXEYRZHGL-NSHDSACASA-N 0 3 283.332 0.542 20 5 CCBDHN CNCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237138433 389182808 /nfs/dbraw/zinc/18/28/08/389182808.db2.gz KMEHFUKJSRLDLA-UHFFFAOYSA-N 0 3 273.314 0.234 20 5 CCBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000160405381 389387420 /nfs/dbraw/zinc/38/74/20/389387420.db2.gz HVOLBELIUKKRDQ-SNVBAGLBSA-N 0 3 297.311 0.764 20 5 CCBDHN CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000175434478 389541183 /nfs/dbraw/zinc/54/11/83/389541183.db2.gz LDKKPABNGAFMJX-UHFFFAOYSA-N 0 3 267.289 0.002 20 5 CCBDHN COCCNCCNCc1ccc([N+](=O)[O-])cc1 ZINC000414879837 389642330 /nfs/dbraw/zinc/64/23/30/389642330.db2.gz IIMROZKIFRIVKU-UHFFFAOYSA-N 0 3 253.302 0.920 20 5 CCBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)CN1 ZINC000423499929 389595326 /nfs/dbraw/zinc/59/53/26/389595326.db2.gz JXYLMRSFQQISEW-BQBZGAKWSA-N 0 3 253.262 0.140 20 5 CCBDHN COCCN(C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181019398 389679319 /nfs/dbraw/zinc/67/93/19/389679319.db2.gz DAQGNYUNXUPGIC-UHFFFAOYSA-N 0 3 296.327 0.485 20 5 CCBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1O ZINC000446078075 389930917 /nfs/dbraw/zinc/93/09/17/389930917.db2.gz LJDINMLUJMOTSY-RYUDHWBXSA-N 0 3 298.343 0.245 20 5 CCBDHN COc1ccc(CNCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000436294978 389974004 /nfs/dbraw/zinc/97/40/04/389974004.db2.gz GHHWARVFGCJHRY-UHFFFAOYSA-N 0 3 277.284 0.985 20 5 CCBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000420048445 389948299 /nfs/dbraw/zinc/94/82/99/389948299.db2.gz SPEWEFLBADPZPH-CYBMUJFWSA-N 0 3 298.343 0.366 20 5 CCBDHN CN(C[C@@H]1CCCN1C)c1c([N+](=O)[O-])ncn1C ZINC000420641620 390019741 /nfs/dbraw/zinc/01/97/41/390019741.db2.gz USMPBGWXHQRCEC-VIFPVBQESA-N 0 3 253.306 0.859 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC(C)(C)CN(C)C ZINC000457200801 390034135 /nfs/dbraw/zinc/03/41/35/390034135.db2.gz FJJRWVLWWXCJLE-UHFFFAOYSA-N 0 3 297.359 0.946 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000440356677 390035852 /nfs/dbraw/zinc/03/58/52/390035852.db2.gz JRMHDFUNGGYEIK-SNVBAGLBSA-N 0 3 299.352 0.934 20 5 CCBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cn[nH]c1 ZINC000494670027 390191600 /nfs/dbraw/zinc/19/16/00/390191600.db2.gz QWEMGUWXYWOUKU-QMMMGPOBSA-N 0 3 250.262 0.865 20 5 CCBDHN CC[C@@H]1CN(C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572562051 390789508 /nfs/dbraw/zinc/78/95/08/390789508.db2.gz IRUXSHNQNZAECW-DGCLKSJQSA-N 0 3 297.359 0.178 20 5 CCBDHN COCCNCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000237280215 131019982 /nfs/dbraw/zinc/01/99/82/131019982.db2.gz FZCSMELXAWIVCD-UHFFFAOYSA-N 0 3 297.311 0.326 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000356479753 144006293 /nfs/dbraw/zinc/00/62/93/144006293.db2.gz NGKSMMQNENHVLF-SECBINFHSA-N 0 3 279.300 0.249 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000356732583 144028398 /nfs/dbraw/zinc/02/83/98/144028398.db2.gz RZBWQYDGIRATAK-MWLCHTKSSA-N 0 3 293.327 0.495 20 5 CCBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CCN1C ZINC000357063803 144055533 /nfs/dbraw/zinc/05/55/33/144055533.db2.gz ZNYBJRYQZBTZMB-VHSXEESVSA-N 0 3 295.343 0.883 20 5 CCBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000357576001 144101641 /nfs/dbraw/zinc/10/16/41/144101641.db2.gz YBCYYDGPKGZEHX-VHSXEESVSA-N 0 3 254.290 0.494 20 5 CCBDHN CCCCN(C)CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357914283 144132735 /nfs/dbraw/zinc/13/27/35/144132735.db2.gz RZQQYFFEUCXBLV-UHFFFAOYSA-N 0 3 283.332 0.790 20 5 CCBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])o1 ZINC000368203918 144212136 /nfs/dbraw/zinc/21/21/36/144212136.db2.gz SWCVKILICLCMJH-BQBZGAKWSA-N 0 3 257.221 0.618 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC3(CCO3)CC2)c1 ZINC000548797470 286068799 /nfs/dbraw/zinc/06/87/99/286068799.db2.gz FSKDXIYMHPCMJZ-GFCCVEGCSA-N 0 3 296.327 0.407 20 5 CCBDHN Cc1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1[N+](=O)[O-] ZINC000020434508 171199617 /nfs/dbraw/zinc/19/96/17/171199617.db2.gz LYFNINPITLGHGD-VHSXEESVSA-N 0 3 265.269 0.565 20 5 CCBDHN Cc1ccc(S(=O)(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000020566902 171254765 /nfs/dbraw/zinc/25/47/65/171254765.db2.gz LAOWJOMEKRRVAQ-UHFFFAOYSA-N 0 3 299.352 0.887 20 5 CCBDHN O=C(NCCN1CCCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285318380 196249620 /nfs/dbraw/zinc/24/96/20/196249620.db2.gz XEJULUZENYAPCJ-UHFFFAOYSA-N 0 3 281.316 0.924 20 5 CCBDHN C[C@H](NCCCS(N)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000045064990 175299500 /nfs/dbraw/zinc/29/95/00/175299500.db2.gz XDBOOAJHXXLEKS-VIFPVBQESA-N 0 3 287.341 0.924 20 5 CCBDHN CNCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000515643440 277264235 /nfs/dbraw/zinc/26/42/35/277264235.db2.gz SDDIFZNGCZCPET-UHFFFAOYSA-N 0 3 253.258 0.309 20 5 CCBDHN CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCC1 ZINC000286008041 282077843 /nfs/dbraw/zinc/07/78/43/282077843.db2.gz QTQCUEADODBTJN-UHFFFAOYSA-N 0 3 267.289 0.532 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272138368 303020832 /nfs/dbraw/zinc/02/08/32/303020832.db2.gz AZOAIESAJNCCNF-VHSXEESVSA-N 0 3 265.317 0.859 20 5 CCBDHN CC(C)[C@H](N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000580071192 327690016 /nfs/dbraw/zinc/69/00/16/327690016.db2.gz LFMPCRAGNPRUEC-LBPRGKRZSA-N 0 3 295.343 0.938 20 5 CCBDHN O=C(CCN[C@@H]1COC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000566068639 334620125 /nfs/dbraw/zinc/62/01/25/334620125.db2.gz TVZNMHSGEQFXMW-ZYHUDNBSSA-N 0 3 295.295 0.273 20 5 CCBDHN C[C@@H]1NCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1C ZINC000423615063 534130978 /nfs/dbraw/zinc/13/09/78/534130978.db2.gz QXOFXEFQKPTKNU-BQBZGAKWSA-N 0 3 253.262 0.140 20 5 CCBDHN C[C@@H]1CCN(C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000354018119 524494841 /nfs/dbraw/zinc/49/48/41/524494841.db2.gz DRCXTUKBYAPRJM-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN CN(C(=O)CN[C@@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000763073693 581984071 /nfs/dbraw/zinc/98/40/71/581984071.db2.gz XAAKTVXKTFAOQJ-ZDUSSCGKSA-N 0 3 293.323 0.918 20 5 CCBDHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])nc1 ZINC000838964225 617242785 /nfs/dbraw/zinc/24/27/85/617242785.db2.gz GETQLKSARGYGSQ-MRVPVSSYSA-N 0 3 254.242 0.841 20 5 CCBDHN COc1cccc(NCCN(C)CCO)c1[N+](=O)[O-] ZINC000884825428 617304497 /nfs/dbraw/zinc/30/44/97/617304497.db2.gz WDCRKRCSJPTQMM-UHFFFAOYSA-N 0 3 269.301 0.939 20 5 CCBDHN CC(C)CC(=O)NCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113165 614018384 /nfs/dbraw/zinc/01/83/84/614018384.db2.gz BSUCLZYGVIITRT-VIFPVBQESA-N 0 3 260.290 0.747 20 5 CCBDHN CCCNC(=O)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107153 614844378 /nfs/dbraw/zinc/84/43/78/614844378.db2.gz LDFNJEYSUXTHIX-VIFPVBQESA-N 0 3 260.290 0.891 20 5 CCBDHN CC[S@@](=O)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819048177 616006007 /nfs/dbraw/zinc/00/60/07/616006007.db2.gz UINDUXPAZZPOHK-HXPMCKFVSA-N 0 3 286.353 0.986 20 5 CCBDHN CCc1n[nH]c(C(=O)N2CCN3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000597710248 616030767 /nfs/dbraw/zinc/03/07/67/616030767.db2.gz RLXDGOXMCUPSHZ-QMMMGPOBSA-N 0 3 279.300 0.410 20 5 CCBDHN CCc1[nH]nc(C(=O)N2CCN3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000597710248 616030768 /nfs/dbraw/zinc/03/07/68/616030768.db2.gz RLXDGOXMCUPSHZ-QMMMGPOBSA-N 0 3 279.300 0.410 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000912606772 616101099 /nfs/dbraw/zinc/10/10/99/616101099.db2.gz LJRXFDWNISCEOM-UHFFFAOYSA-N 0 3 299.302 0.730 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC000816954033 616360167 /nfs/dbraw/zinc/36/01/67/616360167.db2.gz RUJDNWYLGUIEDZ-GZMMTYOYSA-N 0 3 291.311 0.348 20 5 CCBDHN C[NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826073164 616933061 /nfs/dbraw/zinc/93/30/61/616933061.db2.gz HHBKWFZYTWORHF-UHFFFAOYSA-N 0 3 292.303 0.580 20 5 CCBDHN C[NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826073164 616933064 /nfs/dbraw/zinc/93/30/64/616933064.db2.gz HHBKWFZYTWORHF-UHFFFAOYSA-N 0 3 292.303 0.580 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000892141730 622609399 /nfs/dbraw/zinc/60/93/99/622609399.db2.gz CJAVSVHWKBAXAS-VHSXEESVSA-N 0 3 281.316 0.603 20 5 CCBDHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000932345845 624492694 /nfs/dbraw/zinc/49/26/94/624492694.db2.gz IRBNNTGURQNNDA-PWSUYJOCSA-N 0 3 284.316 0.263 20 5 CCBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CNOC2)n1 ZINC000925861285 631407543 /nfs/dbraw/zinc/40/75/43/631407543.db2.gz ABZLMFSTDSWCNV-OUAUKWLOSA-N 0 3 281.316 0.768 20 5 CCBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2N[C@@H]2CNOC2)n1 ZINC000925861283 631407715 /nfs/dbraw/zinc/40/77/15/631407715.db2.gz ABZLMFSTDSWCNV-MXWKQRLJSA-N 0 3 281.316 0.768 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCCN1CCCO ZINC000894022636 631500035 /nfs/dbraw/zinc/50/00/35/631500035.db2.gz YUUHISQYTURJSY-SNVBAGLBSA-N 0 3 283.332 0.587 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897216408 632418407 /nfs/dbraw/zinc/41/84/07/632418407.db2.gz QLHHDEBHNJKCMN-QWRGUYRKSA-N 0 3 295.343 0.364 20 5 CCBDHN NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006257552 632714854 /nfs/dbraw/zinc/71/48/54/632714854.db2.gz CCQSJTRTQKHLQJ-UHFFFAOYSA-N 0 3 264.285 0.202 20 5 CCBDHN CC(COC(=O)C(C)(C)c1cnn(C)c1)[N+](=O)[O-] ZINC000813105817 641021748 /nfs/dbraw/zinc/02/17/48/641021748.db2.gz VBPPFNNJRWOOBM-MRVPVSSYSA-N 0 3 255.274 0.906 20 5 CCBDHN CC(COC(=O)c1cc2c(cn1)OCCO2)[N+](=O)[O-] ZINC000821166768 641571546 /nfs/dbraw/zinc/57/15/46/641571546.db2.gz HIGKDSDAVQCZOQ-ZETCQYMHSA-N 0 3 268.225 0.675 20 5 CCBDHN Cc1nc2ccnn2cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000835456171 642663162 /nfs/dbraw/zinc/66/31/62/642663162.db2.gz SICITNWAYCMQPW-SSDOTTSWSA-N 0 3 264.241 0.860 20 5 CCBDHN CC(COC(=O)/C=C\COC1CCOCC1)[N+](=O)[O-] ZINC000870377042 645988172 /nfs/dbraw/zinc/98/81/72/645988172.db2.gz NYRTZJMYCQZLRS-MXQLGCADSA-N 0 3 273.285 0.947 20 5 CCBDHN C[S@](=O)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158113529 649304202 /nfs/dbraw/zinc/30/42/02/649304202.db2.gz JVFDLKIZXNPQAK-ADLMAVQZSA-N 0 3 272.326 0.596 20 5 CCBDHN COC(=O)Cc1c(=O)[n-]cnc1O[C@@H](C)C[N+](C)(C)C ZINC001230502020 805606864 /nfs/dbraw/zinc/60/68/64/805606864.db2.gz PLAQNPWXESSWPA-VIFPVBQESA-O 0 3 284.336 0.371 20 5 CCBDHN CS(=O)(=O)c1ccc(-n2cc(CN)cn2)c([N+](=O)[O-])c1 ZINC001168262192 814928884 /nfs/dbraw/zinc/92/88/84/814928884.db2.gz XDZVMFKPFIZAOC-UHFFFAOYSA-N 0 3 296.308 0.643 20 5 CCBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1c([N+](=O)[O-])cnn1C ZINC001122181315 799163358 /nfs/dbraw/zinc/16/33/58/799163358.db2.gz PMYQIUBFGZOYCZ-CIUDSAMLSA-N 0 3 281.316 0.539 20 5 CCBDHN CCOC(=O)c1ccnc(-n2cnc(CN)c2)c1[N+](=O)[O-] ZINC001154909897 800868165 /nfs/dbraw/zinc/86/81/65/800868165.db2.gz BHENWXUMZQDCRZ-UHFFFAOYSA-N 0 3 291.267 0.811 20 5 CCBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CCN1C ZINC001155894676 801072564 /nfs/dbraw/zinc/07/25/64/801072564.db2.gz XDXGYMRCFDFFJM-QPUJVOFHSA-N 0 3 278.312 0.999 20 5 CCBDHN Cc1cnc(NC(=N)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001157910586 801517025 /nfs/dbraw/zinc/51/70/25/801517025.db2.gz MCWYEPCTIOYCDF-UHFFFAOYSA-N 0 3 278.316 0.892 20 5 CCBDHN COc1ncnc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001158347943 801623737 /nfs/dbraw/zinc/62/37/37/801623737.db2.gz ALYYDBUOOKREAJ-LURJTMIESA-N 0 3 264.245 0.599 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc([C@@H](C)N)n2)n1 ZINC001158357248 801627269 /nfs/dbraw/zinc/62/72/69/801627269.db2.gz YBBSTTDZXCLGKO-SSDOTTSWSA-N 0 3 291.267 0.982 20 5 CCBDHN COc1ncnc(N[C@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159499783 801823895 /nfs/dbraw/zinc/82/38/95/801823895.db2.gz VNVVMQRKRRIAGK-SFYZADRCSA-N 0 3 283.288 0.182 20 5 CCBDHN COc1nc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@H]2CNCCO2)n1 ZINC001159500850 801825688 /nfs/dbraw/zinc/82/56/88/801825688.db2.gz XWFAWSHGNMDVPF-IONNQARKSA-N 0 3 297.315 0.491 20 5 CCBDHN CCOC(=O)CC(=N)Nc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001163447017 802559132 /nfs/dbraw/zinc/55/91/32/802559132.db2.gz OBYSEOZETJEJDM-UHFFFAOYSA-N 0 3 282.256 0.636 20 5 CCBDHN CN(c1cc([N+](=O)[O-])cc2cc[nH]c21)S(=O)(=O)CCN ZINC001164297146 802711345 /nfs/dbraw/zinc/71/13/45/802711345.db2.gz WKJNEZOSRHQMEU-UHFFFAOYSA-N 0 3 298.324 0.801 20 5 CCBDHN COc1ncnc(N2CC(C)(N(C)C)C2)c1[N+](=O)[O-] ZINC001165118757 802785602 /nfs/dbraw/zinc/78/56/02/802785602.db2.gz YZQYZLUNZJHFFB-UHFFFAOYSA-N 0 3 267.289 0.534 20 5 CCBDHN Nc1cc(-n2ncc3c2CCNC3)ncc1[N+](=O)[O-] ZINC001165218715 802797294 /nfs/dbraw/zinc/79/72/94/802797294.db2.gz LBAHZRWYACDTHK-UHFFFAOYSA-N 0 3 260.257 0.403 20 5 CCBDHN O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165269650 802808780 /nfs/dbraw/zinc/80/87/80/802808780.db2.gz QMLABWIIDJPCMQ-ONGXEEELSA-N 0 3 282.275 0.696 20 5 CCBDHN Cc1nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c(=O)[n-]1 ZINC001229684637 805548669 /nfs/dbraw/zinc/54/86/69/805548669.db2.gz DZXAMXWTOHXBLW-SNVBAGLBSA-O 0 3 284.336 0.162 20 5 CCBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc(CC2(O)CNC2)n1 ZINC001247792011 807491187 /nfs/dbraw/zinc/49/11/87/807491187.db2.gz MIUHAZWCMNECEN-UHFFFAOYSA-N 0 3 295.230 0.056 20 5 CCBDHN CC[C@](N)(CO)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580925 808262691 /nfs/dbraw/zinc/26/26/91/808262691.db2.gz IACOVFMWUNRCKV-WCQYABFASA-N 0 3 265.313 0.709 20 5 CCBDHN CCc1n[nH]c(C(=O)N2CC(N3CCCC3)C2)c1[N+](=O)[O-] ZINC000823484730 821520814 /nfs/dbraw/zinc/52/08/14/821520814.db2.gz QMWMZIZWMOCDNW-UHFFFAOYSA-N 0 3 293.327 0.801 20 5 CCBDHN CCc1n[n-]c(C(=O)N2CC([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000823484730 821520818 /nfs/dbraw/zinc/52/08/18/821520818.db2.gz QMWMZIZWMOCDNW-UHFFFAOYSA-N 0 3 293.327 0.801 20 5 CCBDHN O=[N+]([O-])c1cc2c(cc1NCCn1cnnc1)CNC2 ZINC001168874846 836035837 /nfs/dbraw/zinc/03/58/37/836035837.db2.gz IAKAVTQHBKFEDX-UHFFFAOYSA-N 0 3 274.284 0.902 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC3(C2)OCCO3)C1 ZINC001169027487 836105272 /nfs/dbraw/zinc/10/52/72/836105272.db2.gz QHKYSRHRTDILPV-GHMZBOCLSA-N 0 3 256.302 0.881 20 5 CCBDHN CC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)C1 ZINC001169035914 836110919 /nfs/dbraw/zinc/11/09/19/836110919.db2.gz DWESSRMMHYBGPY-CYZMBNFOSA-N 0 3 269.345 0.984 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2Cc3ccnn3CC[C@@H]2CO)C1 ZINC001169047900 836116659 /nfs/dbraw/zinc/11/66/59/836116659.db2.gz SKSADOMIWWSBNP-YRGRVCCFSA-N 0 3 294.355 0.895 20 5 CCBDHN COc1nc(N[C@@H](C)[C@@H]2CNCCO2)nc(C)c1[N+](=O)[O-] ZINC001170562316 838107651 /nfs/dbraw/zinc/10/76/51/838107651.db2.gz IFKXEMCMAXBTJL-CBAPKCEASA-N 0 3 297.315 0.491 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000716679141 841671086 /nfs/dbraw/zinc/67/10/86/841671086.db2.gz MOLVWBZINNTDCD-QMMMGPOBSA-N 0 3 284.272 0.837 20 5 CCBDHN CN1CCNC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000686116619 849060149 /nfs/dbraw/zinc/06/01/49/849060149.db2.gz HGQQULIKJGXMCV-NSHDSACASA-N 0 3 264.285 0.437 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC001301549222 907975402 /nfs/dbraw/zinc/97/54/02/907975402.db2.gz XSMUXFFYWJHVTA-UHFFFAOYSA-N 0 3 296.327 0.173 20 5 CCBDHN Cc1oncc1CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001321056748 911054535 /nfs/dbraw/zinc/05/45/35/911054535.db2.gz KGASKJKUTORPEL-JGLYPNHGSA-N 0 3 294.311 0.410 20 5 CCBDHN COc1ccc(CC(=O)[N-]OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001330820481 916895435 /nfs/dbraw/zinc/89/54/35/916895435.db2.gz VFYYAKDBFRLASK-UHFFFAOYSA-N 0 3 297.311 0.755 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC001341748788 922654289 /nfs/dbraw/zinc/65/42/89/922654289.db2.gz UEVGRPFIMBQILS-IUCAKERBSA-N 0 3 281.316 0.309 20 5 CCBDHN COC(=O)c1cnc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC001343372409 923287876 /nfs/dbraw/zinc/28/78/76/923287876.db2.gz ZPTDXQURYGVDNV-ZCFIWIBFSA-N 0 3 269.213 0.085 20 5 CCBDHN Cc1nc(NC[C@H]2CSCCN2)ncc1[N+](=O)[O-] ZINC001349772954 925051293 /nfs/dbraw/zinc/05/12/93/925051293.db2.gz HFKPIGKPXVWWQB-QMMMGPOBSA-N 0 3 269.330 0.810 20 5 CCBDHN COc1ccc(CNC[C@@](C)(O)CO)cc1[N+](=O)[O-] ZINC000090288289 349434826 /nfs/dbraw/zinc/43/48/26/349434826.db2.gz CPCXBOPVGQCLKL-GFCCVEGCSA-N 0 3 270.285 0.436 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCCCO)C1CC1 ZINC000090550396 349438618 /nfs/dbraw/zinc/43/86/18/349438618.db2.gz ANYQDERPRKJTSQ-UHFFFAOYSA-N 0 3 295.339 0.993 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)CC1(C)COC1 ZINC000599571834 361750373 /nfs/dbraw/zinc/75/03/73/361750373.db2.gz VAWSRTYVSKRIIE-UHFFFAOYSA-N 0 3 254.290 0.760 20 5 CCBDHN Nc1nc(N[C@@H]2CCCN(CCCO)C2)ncc1[N+](=O)[O-] ZINC000294987750 199286155 /nfs/dbraw/zinc/28/61/55/199286155.db2.gz PZZJJUXWOCWSME-SECBINFHSA-N 0 3 296.331 0.226 20 5 CCBDHN CN1C[C@@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000425057140 529822080 /nfs/dbraw/zinc/82/20/80/529822080.db2.gz LZCKXDDNIZJMIL-WDEREUQCSA-N 0 3 293.327 0.344 20 5 CCBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000120004800 349965860 /nfs/dbraw/zinc/96/58/60/349965860.db2.gz HASQVOAKVMVJOB-UHFFFAOYSA-N 0 3 266.301 0.980 20 5 CCBDHN COC(=O)[C@]1(C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602785701 362800383 /nfs/dbraw/zinc/80/03/83/362800383.db2.gz KDFYEAXKLXAWDW-CYBMUJFWSA-N 0 3 296.327 0.985 20 5 CCBDHN COCCO[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602813121 362813670 /nfs/dbraw/zinc/81/36/70/362813670.db2.gz FFIIJMPMADMALY-GFCCVEGCSA-N 0 3 298.343 0.837 20 5 CCBDHN COCCO[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602813122 362814289 /nfs/dbraw/zinc/81/42/89/362814289.db2.gz FFIIJMPMADMALY-LBPRGKRZSA-N 0 3 298.343 0.837 20 5 CCBDHN Cn1cc(CN[C@H](CO)C2CCCC2)c([N+](=O)[O-])n1 ZINC000602838807 362827944 /nfs/dbraw/zinc/82/79/44/362827944.db2.gz SMGLZBHGRYMCEB-LLVKDONJSA-N 0 3 268.317 0.969 20 5 CCBDHN C[C@@H]1C[C@@H](CO)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000344170102 137181178 /nfs/dbraw/zinc/18/11/78/137181178.db2.gz PVKPXDQHEMFOOK-MNOVXSKESA-N 0 3 268.317 0.884 20 5 CCBDHN C[C@@H]1C[C@@H](CO)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000344146308 137180370 /nfs/dbraw/zinc/18/03/70/137180370.db2.gz PPJUPXMRYKEVGP-MDZLAQPJSA-N 0 3 298.343 0.245 20 5 CCBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000037889264 348216353 /nfs/dbraw/zinc/21/63/53/348216353.db2.gz JSRPNYGFDYCJRI-CMPLNLGQSA-N 0 3 291.311 0.898 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C[C@H](C)O)C1CC1 ZINC000602873891 362853778 /nfs/dbraw/zinc/85/37/78/362853778.db2.gz SSGOIERYZKORAW-VIFPVBQESA-N 0 3 268.317 0.945 20 5 CCBDHN COC(=O)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000347011511 137316019 /nfs/dbraw/zinc/31/60/19/137316019.db2.gz GLIHQPKMLJTQDH-ZJUUUORDSA-N 0 3 282.300 0.675 20 5 CCBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CCN(C)C ZINC000602953619 362905911 /nfs/dbraw/zinc/90/59/11/362905911.db2.gz BRTNVGCDDWESHT-UHFFFAOYSA-N 0 3 281.316 0.745 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H](O)CN1CCCCC1 ZINC000048559788 348415523 /nfs/dbraw/zinc/41/55/23/348415523.db2.gz JKXATAVOSPQVGM-JTQLQIEISA-N 0 3 283.332 0.587 20 5 CCBDHN C[C@@H]1C[C@H](O)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000412046282 233008803 /nfs/dbraw/zinc/00/88/03/233008803.db2.gz ZMISFBSPTSHTRZ-ZJUUUORDSA-N 0 3 254.290 0.494 20 5 CCBDHN CN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CCN(C2CC2)C1 ZINC000347308812 137330170 /nfs/dbraw/zinc/33/01/70/137330170.db2.gz NMNHEDCAVTXWBW-SECBINFHSA-N 0 3 278.316 0.470 20 5 CCBDHN O=C(CCOC1CNC1)Nc1cccc([N+](=O)[O-])c1 ZINC000349050552 137385487 /nfs/dbraw/zinc/38/54/87/137385487.db2.gz JJCVTGFEBAVLEU-UHFFFAOYSA-N 0 3 265.269 0.912 20 5 CCBDHN COC(=O)[C@H](C)CN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000050069407 348465629 /nfs/dbraw/zinc/46/56/29/348465629.db2.gz SSFDSBKRPKPQQF-SECBINFHSA-N 0 3 284.316 0.841 20 5 CCBDHN CNCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000054244493 348545656 /nfs/dbraw/zinc/54/56/56/348545656.db2.gz MBOFKWFQUBZKEF-UHFFFAOYSA-N 0 3 273.314 0.234 20 5 CCBDHN C[C@@H]1[C@H](CO)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000412098984 233054721 /nfs/dbraw/zinc/05/47/21/233054721.db2.gz VYCXJECFJHZHNV-MNOVXSKESA-N 0 3 268.317 0.884 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C1CCN(C)CC1 ZINC000068467868 348811444 /nfs/dbraw/zinc/81/14/44/348811444.db2.gz MIBNIJKREKFDCJ-UHFFFAOYSA-N 0 3 295.343 0.652 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](CCO)C2)c1 ZINC000075717112 349048807 /nfs/dbraw/zinc/04/88/07/349048807.db2.gz KPGTXDGRSDAZCX-YPMHNXCESA-N 0 3 298.343 0.247 20 5 CCBDHN CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000122577471 350066524 /nfs/dbraw/zinc/06/65/24/350066524.db2.gz ANBKWXROSVCFNS-SECBINFHSA-N 0 3 284.341 0.371 20 5 CCBDHN NC(=O)CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000271282165 191048199 /nfs/dbraw/zinc/04/81/99/191048199.db2.gz ZWLMSFCBOABCCB-UHFFFAOYSA-N 0 3 295.343 0.769 20 5 CCBDHN O=C(C[C@@H]1CNCCO1)NCc1ccccc1[N+](=O)[O-] ZINC000091311437 180132454 /nfs/dbraw/zinc/13/24/54/180132454.db2.gz HXJMKGAZMXVUPZ-LLVKDONJSA-N 0 3 279.296 0.590 20 5 CCBDHN O=C(C[C@@H]1CNCCO1)NCc1ccc([N+](=O)[O-])cc1 ZINC000091300384 180128027 /nfs/dbraw/zinc/12/80/27/180128027.db2.gz ZKKHFNFRGHRPLS-GFCCVEGCSA-N 0 3 279.296 0.590 20 5 CCBDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000129505731 350216222 /nfs/dbraw/zinc/21/62/22/350216222.db2.gz FRHRXVOYOMJSGF-SECBINFHSA-N 0 3 287.341 0.729 20 5 CCBDHN COc1ccc(NC(=O)CN2CCNCC2)cc1[N+](=O)[O-] ZINC000136475638 350423369 /nfs/dbraw/zinc/42/33/69/350423369.db2.gz KSSBJCOISNGULF-UHFFFAOYSA-N 0 3 294.311 0.447 20 5 CCBDHN CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cn1 ZINC000143528134 350459943 /nfs/dbraw/zinc/45/99/43/350459943.db2.gz VYUMRPNXTUQONT-UHFFFAOYSA-N 0 3 292.299 0.933 20 5 CCBDHN C[NH+](C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]2)cn1 ZINC000143528134 350459946 /nfs/dbraw/zinc/45/99/46/350459946.db2.gz VYUMRPNXTUQONT-UHFFFAOYSA-N 0 3 292.299 0.933 20 5 CCBDHN C[C@@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000151709998 350508395 /nfs/dbraw/zinc/50/83/95/350508395.db2.gz RZEGSEDWLJIHJT-MRVPVSSYSA-N 0 3 252.274 0.470 20 5 CCBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1CNCCO1 ZINC000157358752 350644432 /nfs/dbraw/zinc/64/44/32/350644432.db2.gz UGNLEWNSGKELHD-IHVVCDCBSA-N 0 3 291.307 0.713 20 5 CCBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000161082661 350712418 /nfs/dbraw/zinc/71/24/18/350712418.db2.gz IJCSWQQTGNVGSY-MNOVXSKESA-N 0 3 295.343 0.636 20 5 CCBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172235810 350969539 /nfs/dbraw/zinc/96/95/39/350969539.db2.gz IBXMLNXVTQBDBE-NSHDSACASA-N 0 3 295.343 0.592 20 5 CCBDHN CC(C)(O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176228275 351162891 /nfs/dbraw/zinc/16/28/91/351162891.db2.gz CMPVXPKYXIKJEY-UHFFFAOYSA-N 0 3 297.359 0.180 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2C[C@H]3CCC[C@@H](C2)C3O)n1 ZINC000176247313 351164912 /nfs/dbraw/zinc/16/49/12/351164912.db2.gz CJERVVJFJSIXBO-QYJAPNMZSA-N 0 3 280.328 0.884 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1CO ZINC000181588837 351327518 /nfs/dbraw/zinc/32/75/18/351327518.db2.gz AJWJEIZYPYKRBE-VXGBXAGGSA-N 0 3 296.323 0.791 20 5 CCBDHN C[C@H](O)CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181910817 351341720 /nfs/dbraw/zinc/34/17/20/351341720.db2.gz JJRBZNQWCADAEA-QWRGUYRKSA-N 0 3 284.312 0.647 20 5 CCBDHN COCCCN(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000189919604 351707403 /nfs/dbraw/zinc/70/74/03/351707403.db2.gz ZDWWNUPXAYYYEF-UHFFFAOYSA-N 0 3 272.305 0.122 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000190870781 351737565 /nfs/dbraw/zinc/73/75/65/351737565.db2.gz VHNOYFBLEQSGLC-ZJUUUORDSA-N 0 3 254.290 0.352 20 5 CCBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000230685743 352117786 /nfs/dbraw/zinc/11/77/86/352117786.db2.gz VVBGAASHRRVLCG-QMMMGPOBSA-N 0 3 279.300 0.254 20 5 CCBDHN O=[N+]([O-])c1ccccc1CNC[C@@]1(O)CCOC1 ZINC000229641811 352094955 /nfs/dbraw/zinc/09/49/55/352094955.db2.gz HELRNXCLXCUYOX-LBPRGKRZSA-N 0 3 252.270 0.836 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000237593346 352273447 /nfs/dbraw/zinc/27/34/47/352273447.db2.gz IVGKRCJXTFADFE-VHSXEESVSA-N 0 3 295.343 0.699 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000247336447 352410123 /nfs/dbraw/zinc/41/01/23/352410123.db2.gz FVQBTTVKRZYRHI-ZYHUDNBSSA-N 0 3 284.316 0.263 20 5 CCBDHN CN1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000604485776 363198249 /nfs/dbraw/zinc/19/82/49/363198249.db2.gz ZSIJOUVAJDUMIH-JTQLQIEISA-N 0 3 281.316 0.392 20 5 CCBDHN CN(CC1CCN(C)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152385984 188015052 /nfs/dbraw/zinc/01/50/52/188015052.db2.gz NBMJMWRMKREDRO-UHFFFAOYSA-N 0 3 281.316 0.732 20 5 CCBDHN CO[C@H]1C[C@@H](CN(C)c2ncc([N+](=O)[O-])c(C)n2)N(C)C1 ZINC000295710804 353914043 /nfs/dbraw/zinc/91/40/43/353914043.db2.gz RTCNSNDXBSOBMO-QWRGUYRKSA-N 0 3 295.343 0.849 20 5 CCBDHN Nc1nc(N[C@@H](CO)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000295716351 353914061 /nfs/dbraw/zinc/91/40/61/353914061.db2.gz SRXKPZOOZKHIFA-SECBINFHSA-N 0 3 296.331 0.226 20 5 CCBDHN Cc1nc(N2CC[C@@H](N(C)CCO)[C@H]2C)ncc1[N+](=O)[O-] ZINC000295732016 353915279 /nfs/dbraw/zinc/91/52/79/353915279.db2.gz WEFFFHNYTJPLLZ-GHMZBOCLSA-N 0 3 295.343 0.585 20 5 CCBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000618952100 366133158 /nfs/dbraw/zinc/13/31/58/366133158.db2.gz QMVJWJZBJQNBIW-SNVBAGLBSA-N 0 3 254.290 0.494 20 5 CCBDHN O=C(N[C@@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298644739 353962991 /nfs/dbraw/zinc/96/29/91/353962991.db2.gz RRHDJEHJKCCNMN-SNVBAGLBSA-N 0 3 296.327 0.500 20 5 CCBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1CO ZINC000305730457 354155924 /nfs/dbraw/zinc/15/59/24/354155924.db2.gz NGUWADKASNRSAO-YPMHNXCESA-N 0 3 295.339 0.849 20 5 CCBDHN Cc1ccnc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000328293939 354230697 /nfs/dbraw/zinc/23/06/97/354230697.db2.gz SFXOYNKJDBPEPK-ZDUSSCGKSA-N 0 3 291.311 0.645 20 5 CCBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CNCCO1 ZINC000557140719 291023356 /nfs/dbraw/zinc/02/33/56/291023356.db2.gz PVYFOOJNZWJYSH-GFCCVEGCSA-N 0 3 294.311 0.382 20 5 CCBDHN N[C@@H]1C[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000424135851 235158775 /nfs/dbraw/zinc/15/87/75/235158775.db2.gz PRRFXNWXJFALKN-QWHCGFSZSA-N 0 3 290.323 0.591 20 5 CCBDHN CN1CC[C@@H](c2nc(-c3c([N+](=O)[O-])ncn3C)no2)C1 ZINC000350277674 355996520 /nfs/dbraw/zinc/99/65/20/355996520.db2.gz WNNJLHMAANMWEE-SSDOTTSWSA-N 0 3 278.272 0.797 20 5 CCBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352591087 356024359 /nfs/dbraw/zinc/02/43/59/356024359.db2.gz SARSLMCCLWQCPN-SECBINFHSA-N 0 3 297.315 0.159 20 5 CCBDHN CCN1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000363005939 138084042 /nfs/dbraw/zinc/08/40/42/138084042.db2.gz RQCNPLONDYOAJO-UHFFFAOYSA-N 0 3 295.343 0.736 20 5 CCBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000610208254 363542120 /nfs/dbraw/zinc/54/21/20/363542120.db2.gz QNDNGHQTELOXKE-UHFFFAOYSA-N 0 3 298.343 0.631 20 5 CCBDHN CN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCN(C2CC2)C1 ZINC000355949602 356674393 /nfs/dbraw/zinc/67/43/93/356674393.db2.gz VOGKIFMAYHLULT-LLVKDONJSA-N 0 3 279.344 0.997 20 5 CCBDHN CS(=O)(=O)NC1CC(NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000619748000 366347847 /nfs/dbraw/zinc/34/78/47/366347847.db2.gz OFFBTUGOPRSDPU-UHFFFAOYSA-N 0 3 299.352 0.765 20 5 CCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN2CCC1CC2 ZINC000364539830 357118193 /nfs/dbraw/zinc/11/81/93/357118193.db2.gz DMPZQLYXDABHAY-UHFFFAOYSA-N 0 3 293.327 0.488 20 5 CCBDHN CCc1n[nH]c(C(=O)N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000408439415 358095400 /nfs/dbraw/zinc/09/54/00/358095400.db2.gz RBNSNFQXPOTZQT-UHFFFAOYSA-N 0 3 281.316 0.704 20 5 CCBDHN CCc1[nH]nc(C(=O)N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000408439415 358095402 /nfs/dbraw/zinc/09/54/02/358095402.db2.gz RBNSNFQXPOTZQT-UHFFFAOYSA-N 0 3 281.316 0.704 20 5 CCBDHN C[C@H](NC[C@]1(O)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294746407 199163126 /nfs/dbraw/zinc/16/31/26/199163126.db2.gz LSGXHNDLWWLRKI-TVQRCGJNSA-N 0 3 281.312 0.979 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3CCC[C@H]32)c1 ZINC000610762761 363609924 /nfs/dbraw/zinc/60/99/24/363609924.db2.gz SIPCBEVESLRCRS-MVWJERBFSA-N 0 3 266.301 0.637 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@H]1C ZINC000568512716 358681769 /nfs/dbraw/zinc/68/17/69/358681769.db2.gz FRQAKYAPBQPTHN-SFYZADRCSA-N 0 3 267.289 0.151 20 5 CCBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860842 359343285 /nfs/dbraw/zinc/34/32/85/359343285.db2.gz LYPHIOASVQDBKO-ONGXEEELSA-N 0 3 294.311 0.204 20 5 CCBDHN Cc1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000588864736 359344307 /nfs/dbraw/zinc/34/43/07/359344307.db2.gz PSKOJXJIZNDGCM-LLVKDONJSA-N 0 3 281.312 0.556 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000588866923 359344566 /nfs/dbraw/zinc/34/45/66/359344566.db2.gz SWPGBYKTNNAZHI-JTQLQIEISA-N 0 3 296.327 0.045 20 5 CCBDHN O=C(N[C@H](CO)CN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000588870135 359345969 /nfs/dbraw/zinc/34/59/69/359345969.db2.gz UXJCXPMDUKXWLC-LBPRGKRZSA-N 0 3 293.323 0.781 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000590369837 359445368 /nfs/dbraw/zinc/44/53/68/359445368.db2.gz PMFOLCFVWZKEJP-SNVBAGLBSA-N 0 3 297.311 0.012 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCNCC2(C)C)c1[N+](=O)[O-] ZINC000592473452 359850021 /nfs/dbraw/zinc/85/00/21/359850021.db2.gz OCDJUQMHDXSFHB-UHFFFAOYSA-N 0 3 267.289 0.450 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCNCC2(C)C)c1[N+](=O)[O-] ZINC000592473452 359850026 /nfs/dbraw/zinc/85/00/26/359850026.db2.gz OCDJUQMHDXSFHB-UHFFFAOYSA-N 0 3 267.289 0.450 20 5 CCBDHN O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H]1CNCCO1 ZINC000594699064 360362131 /nfs/dbraw/zinc/36/21/31/360362131.db2.gz OYBOQZRNJBFUSR-SNVBAGLBSA-N 0 3 290.279 0.293 20 5 CCBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000595102262 360437001 /nfs/dbraw/zinc/43/70/01/360437001.db2.gz IMUDIDFJRMGBFY-VIFPVBQESA-N 0 3 286.313 0.005 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595807522 360662476 /nfs/dbraw/zinc/66/24/76/360662476.db2.gz KBEWXVGEJOIQAZ-CKYFFXLPSA-N 0 3 266.301 0.494 20 5 CCBDHN N[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595906348 360700203 /nfs/dbraw/zinc/70/02/03/360700203.db2.gz JUMZGYITKVXSKE-NXEZZACHSA-N 0 3 296.302 0.904 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CC[C@H]1O ZINC000563536303 291235826 /nfs/dbraw/zinc/23/58/26/291235826.db2.gz IJBASOPBKHUCPV-HOSYDEDBSA-N 0 3 282.296 0.447 20 5 CCBDHN CNC(=O)CCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859838 189150878 /nfs/dbraw/zinc/15/08/78/189150878.db2.gz ACRNNWSQNAAOBP-GFCCVEGCSA-N 0 3 281.312 0.696 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](CO)CN(C)C)n1 ZINC000596243969 360850664 /nfs/dbraw/zinc/85/06/64/360850664.db2.gz MWXRJSVRGAUPTN-QMMMGPOBSA-N 0 3 298.299 0.111 20 5 CCBDHN C[N@H+]1C[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]2C1 ZINC000596213813 360836890 /nfs/dbraw/zinc/83/68/90/360836890.db2.gz HEDWVFHOLARLOT-DTORHVGOSA-N 0 3 264.285 0.693 20 5 CCBDHN C[N@@H+]1C[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]2C1 ZINC000596213813 360836893 /nfs/dbraw/zinc/83/68/93/360836893.db2.gz HEDWVFHOLARLOT-DTORHVGOSA-N 0 3 264.285 0.693 20 5 CCBDHN CCCN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000598341777 361392571 /nfs/dbraw/zinc/39/25/71/361392571.db2.gz GAEFBZUPEUNNGW-NSHDSACASA-N 0 3 295.343 0.700 20 5 CCBDHN CC[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598530946 361440790 /nfs/dbraw/zinc/44/07/90/361440790.db2.gz AOAMOSLUAVOTPB-JGVFFNPUSA-N 0 3 267.289 0.530 20 5 CCBDHN CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H](C)N1 ZINC000598535827 361441612 /nfs/dbraw/zinc/44/16/12/361441612.db2.gz IYUKMSWNIJDXDN-WCBMZHEXSA-N 0 3 295.343 0.849 20 5 CCBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000183990353 189373197 /nfs/dbraw/zinc/37/31/97/189373197.db2.gz ONZHZIZMAXDIRK-UHFFFAOYSA-N 0 3 299.302 0.778 20 5 CCBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)cn1 ZINC000599199846 361609280 /nfs/dbraw/zinc/60/92/80/361609280.db2.gz SQIKKCIQMYZXBH-JTQLQIEISA-N 0 3 252.274 0.468 20 5 CCBDHN CN1CCN(CC2CN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000599109899 361575174 /nfs/dbraw/zinc/57/51/74/361575174.db2.gz WVCQNAYOVMPMSE-UHFFFAOYSA-N 0 3 291.355 0.673 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[NH2+][C@H]1C ZINC000599110999 361577046 /nfs/dbraw/zinc/57/70/46/361577046.db2.gz VJOAYEHNDQWFLP-VHSXEESVSA-N 0 3 299.352 0.932 20 5 CCBDHN CN(CCN1CCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000302164033 201374503 /nfs/dbraw/zinc/37/45/03/201374503.db2.gz QJJGXNCLHWWICB-UHFFFAOYSA-N 0 3 251.290 0.917 20 5 CCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCCNCC1 ZINC000566240163 291382272 /nfs/dbraw/zinc/38/22/72/291382272.db2.gz IPWMSPLXWNVWAE-UHFFFAOYSA-N 0 3 264.285 0.613 20 5 CCBDHN O=C(CCN1CC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000304130102 201635375 /nfs/dbraw/zinc/63/53/75/201635375.db2.gz VUPACCIEPWKRKZ-GFCCVEGCSA-N 0 3 279.296 0.990 20 5 CCBDHN CCN1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000330585949 203004680 /nfs/dbraw/zinc/00/46/80/203004680.db2.gz XGWGDGLXGLNGCJ-UHFFFAOYSA-N 0 3 281.316 0.542 20 5 CCBDHN C[C@@H]1CCCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330657972 203088437 /nfs/dbraw/zinc/08/84/37/203088437.db2.gz OUNPKOSIOBHZPY-SNVBAGLBSA-N 0 3 296.331 0.034 20 5 CCBDHN CN(C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCO1 ZINC000330790814 203239022 /nfs/dbraw/zinc/23/90/22/203239022.db2.gz CGKLOVJWSLRLIX-SNVBAGLBSA-N 0 3 296.327 0.336 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](O)Cn1ccnn1 ZINC000459696496 249053797 /nfs/dbraw/zinc/05/37/97/249053797.db2.gz LKFVXPBPUXPSHA-CYBMUJFWSA-N 0 3 291.311 0.645 20 5 CCBDHN CNCCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000516786672 249180978 /nfs/dbraw/zinc/18/09/78/249180978.db2.gz DANPIWPGMFXHHD-UHFFFAOYSA-N 0 3 287.341 0.709 20 5 CCBDHN CN(C)C[C@H]1CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000268218850 190387603 /nfs/dbraw/zinc/38/76/03/190387603.db2.gz WICZNUXOPNKUAL-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN CN(C)C[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000194685176 389101366 /nfs/dbraw/zinc/10/13/66/389101366.db2.gz VRAQARNMGOBMDJ-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000358061716 389141361 /nfs/dbraw/zinc/14/13/61/389141361.db2.gz WBNSOLKKRHUMKD-CYBMUJFWSA-N 0 3 279.296 0.391 20 5 CCBDHN COCCNCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237166643 389183487 /nfs/dbraw/zinc/18/34/87/389183487.db2.gz OPQVTYSPPMIOPD-UHFFFAOYSA-N 0 3 293.323 0.716 20 5 CCBDHN COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340907156 389164967 /nfs/dbraw/zinc/16/49/67/389164967.db2.gz BCMROCPXSRPPEF-JTQLQIEISA-N 0 3 296.327 0.764 20 5 CCBDHN COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340907156 389164969 /nfs/dbraw/zinc/16/49/69/389164969.db2.gz BCMROCPXSRPPEF-JTQLQIEISA-N 0 3 296.327 0.764 20 5 CCBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000340907156 389164971 /nfs/dbraw/zinc/16/49/71/389164971.db2.gz BCMROCPXSRPPEF-JTQLQIEISA-N 0 3 296.327 0.764 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCC[C@H]1O ZINC000270612971 389434241 /nfs/dbraw/zinc/43/42/41/389434241.db2.gz ZSLDGTBYECSHAG-WCQYABFASA-N 0 3 295.339 0.849 20 5 CCBDHN C[C@@H]1[C@H](CO)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000488758915 390096080 /nfs/dbraw/zinc/09/60/80/390096080.db2.gz BZNSLWIPVSPJRJ-MNOVXSKESA-N 0 3 281.312 0.459 20 5 CCBDHN CN(CCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000281616617 195311347 /nfs/dbraw/zinc/31/13/47/195311347.db2.gz HHAPOCSGSMXCOE-UHFFFAOYSA-N 0 3 255.274 0.071 20 5 CCBDHN C[C@@](O)(CNCCn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000519596023 390515011 /nfs/dbraw/zinc/51/50/11/390515011.db2.gz IZFZWMMHDWEJMR-MRVPVSSYSA-N 0 3 282.222 0.694 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2CC(F)(F)C2)c1 ZINC000565887931 390554662 /nfs/dbraw/zinc/55/46/62/390554662.db2.gz FFCSMNCPRICIHU-SECBINFHSA-N 0 3 276.243 0.540 20 5 CCBDHN CN(C)C1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCC1 ZINC000566449210 390610617 /nfs/dbraw/zinc/61/06/17/390610617.db2.gz RAYYTVBMGJGJRN-UHFFFAOYSA-N 0 3 293.327 0.616 20 5 CCBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](O)CO ZINC000347375778 533385295 /nfs/dbraw/zinc/38/52/95/533385295.db2.gz KQUFXSHOILUQFV-PRFOUVDFSA-N 0 3 266.297 0.941 20 5 CCBDHN Cc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358057221 144146724 /nfs/dbraw/zinc/14/67/24/144146724.db2.gz OWBWGXLKVHQTNR-CQSZACIVSA-N 0 3 293.323 0.700 20 5 CCBDHN CN(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000552440741 286167135 /nfs/dbraw/zinc/16/71/35/286167135.db2.gz USLMHCOIOMGWHF-RYUDHWBXSA-N 0 3 279.296 0.342 20 5 CCBDHN CO[C@H]1C[C@@H](CN(C)c2c([N+](=O)[O-])ncn2C)N(C)C1 ZINC000284628841 196098954 /nfs/dbraw/zinc/09/89/54/196098954.db2.gz UMRCNOCMIZUNIW-UWVGGRQHSA-N 0 3 283.332 0.484 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC[NH3+] ZINC000021044196 171293972 /nfs/dbraw/zinc/29/39/72/171293972.db2.gz CICNOXRSCZJGFL-UHFFFAOYSA-N 0 3 289.313 0.231 20 5 CCBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285450103 196288631 /nfs/dbraw/zinc/28/86/31/196288631.db2.gz XXRUPTHDKNCQFE-MRVPVSSYSA-N 0 3 267.289 0.484 20 5 CCBDHN CN(C)C1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCC1 ZINC000275967352 289045716 /nfs/dbraw/zinc/04/57/16/289045716.db2.gz LFTZODBQXDVWOT-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN[C@H](C)[C@H]2C)n1 ZINC000583565703 328616268 /nfs/dbraw/zinc/61/62/68/328616268.db2.gz JPQGCJISWSEWBC-RKDXNWHRSA-N 0 3 281.316 0.634 20 5 CCBDHN C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N(C)C ZINC000576240257 335176532 /nfs/dbraw/zinc/17/65/32/335176532.db2.gz WNSCBIAALWBPEK-ZETCQYMHSA-N 0 3 267.289 0.082 20 5 CCBDHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000387367362 336192993 /nfs/dbraw/zinc/19/29/93/336192993.db2.gz YMRXDKXBFBBVGI-LLVKDONJSA-N 0 3 299.327 0.004 20 5 CCBDHN COC(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000495950559 533965621 /nfs/dbraw/zinc/96/56/21/533965621.db2.gz OSYXDMMJHZHIQX-DTWKUNHWSA-N 0 3 274.273 0.673 20 5 CCBDHN CC(=O)NCCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369682899 534382727 /nfs/dbraw/zinc/38/27/27/534382727.db2.gz HSCHTDLDBKOWIG-UHFFFAOYSA-N 0 3 295.343 0.954 20 5 CCBDHN COc1ccc(CN2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000596104575 545102842 /nfs/dbraw/zinc/10/28/42/545102842.db2.gz GJJBXUKEGXYCLU-UHFFFAOYSA-N 0 3 293.323 0.778 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000157368468 526552718 /nfs/dbraw/zinc/55/27/18/526552718.db2.gz UIFDWXOODYOCDE-NSHDSACASA-N 0 3 283.259 0.452 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000358051008 536480661 /nfs/dbraw/zinc/48/06/61/536480661.db2.gz QKPWZJAZQDIISW-NSHDSACASA-N 0 3 285.325 0.453 20 5 CCBDHN CCc1nn(C)c(NC[C@@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000361013076 536181867 /nfs/dbraw/zinc/18/18/67/536181867.db2.gz IDZZAPBSGDYNBF-LBPRGKRZSA-N 0 3 283.332 0.369 20 5 CCBDHN C[C@H]1CCCN1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000783914280 581366814 /nfs/dbraw/zinc/36/68/14/581366814.db2.gz HQECNHUTRWPWIA-QMMMGPOBSA-N 0 3 267.289 0.532 20 5 CCBDHN CC(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813110483 613843778 /nfs/dbraw/zinc/84/37/78/613843778.db2.gz BQNKYTPQLQBVIG-PSASIEDQSA-N 0 3 258.274 0.453 20 5 CCBDHN CC(C)CN1N=C(C(=O)OCC(C)[N+](=O)[O-])CCC1=O ZINC000813113599 614134182 /nfs/dbraw/zinc/13/41/82/614134182.db2.gz GTXALHKHQHHSCR-SECBINFHSA-N 0 3 285.300 0.829 20 5 CCBDHN CN(C)C[C@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000813356273 615950272 /nfs/dbraw/zinc/95/02/72/615950272.db2.gz VTSDKJPYJQCUEH-SECBINFHSA-N 0 3 296.258 0.720 20 5 CCBDHN CN(CCO)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000884824651 616108598 /nfs/dbraw/zinc/10/85/98/616108598.db2.gz GBTMOJWTUBGBNX-UHFFFAOYSA-N 0 3 274.708 0.979 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825890883 616196182 /nfs/dbraw/zinc/19/61/82/616196182.db2.gz AGXWGCDNOULHOE-CHWSQXEVSA-N 0 3 293.323 0.839 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1NCCCN1CCN(C)CC1 ZINC000891590850 616241305 /nfs/dbraw/zinc/24/13/05/616241305.db2.gz COWBTYXIHMVACX-UHFFFAOYSA-N 0 3 282.348 0.378 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000816954035 616359985 /nfs/dbraw/zinc/35/99/85/616359985.db2.gz RUJDNWYLGUIEDZ-KWQFWETISA-N 0 3 291.311 0.348 20 5 CCBDHN CN1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000818994324 616448246 /nfs/dbraw/zinc/44/82/46/616448246.db2.gz FFACKJGSSLBOIY-PWSUYJOCSA-N 0 3 279.296 0.449 20 5 CCBDHN COC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])on1 ZINC000813111165 616831060 /nfs/dbraw/zinc/83/10/60/616831060.db2.gz PKUUUILRDLNRFN-RXMQYKEDSA-N 0 3 258.186 0.283 20 5 CCBDHN CC(COC(=O)[C@H]1CCCCS1(=O)=O)[N+](=O)[O-] ZINC000813103875 624649336 /nfs/dbraw/zinc/64/93/36/624649336.db2.gz HQBHIRUOVGDIOY-HTQZYQBOSA-N 0 3 265.287 0.162 20 5 CCBDHN Cc1csc(=O)n1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813106363 624649931 /nfs/dbraw/zinc/64/99/31/624649931.db2.gz BRRLRDLTMKRJRK-ZETCQYMHSA-N 0 3 274.298 0.817 20 5 CCBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1ccc(F)cc1 ZINC000905341456 634849964 /nfs/dbraw/zinc/84/99/64/634849964.db2.gz ODOHLJFKZVCRAX-NSHDSACASA-N 0 3 256.277 0.843 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000928433411 631833726 /nfs/dbraw/zinc/83/37/26/631833726.db2.gz TVBWDPOSPFTHQL-WQAKAFBOSA-N 0 3 293.323 0.837 20 5 CCBDHN CC(=O)N1CCC(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997451347 638868700 /nfs/dbraw/zinc/86/87/00/638868700.db2.gz AAPUXMAJNKLZEI-UHFFFAOYSA-N 0 3 295.343 0.676 20 5 CCBDHN O=[N+]([O-])c1cnn(CCNCc2cnn(CCF)c2)c1 ZINC000921862144 639375753 /nfs/dbraw/zinc/37/57/53/639375753.db2.gz NJNHSAXUVFECRY-UHFFFAOYSA-N 0 3 282.279 0.747 20 5 CCBDHN CC(COC(=O)[C@H]1Cc2ccccc2C(=O)O1)[N+](=O)[O-] ZINC000813104283 641022091 /nfs/dbraw/zinc/02/20/91/641022091.db2.gz LOFLNEXAIJAEMU-LDYMZIIASA-N 0 3 279.248 0.977 20 5 CCBDHN CC(COC(=O)C[C@@H]1Oc2ccccc2NC1=O)[N+](=O)[O-] ZINC000813106592 641023693 /nfs/dbraw/zinc/02/36/93/641023693.db2.gz FQPWOWSDEQTBTP-KWQFWETISA-N 0 3 294.263 0.985 20 5 CCBDHN C[S@](=O)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032211 641375416 /nfs/dbraw/zinc/37/54/16/641375416.db2.gz DDTNXTGFUWJHKB-ZMZPIMSZSA-N 0 3 272.326 0.596 20 5 CCBDHN CC(COC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F)[N+](=O)[O-] ZINC000873533306 646386970 /nfs/dbraw/zinc/38/69/70/646386970.db2.gz WNRVEENNLSOSSV-DSYKOEDSSA-N 0 3 298.217 0.509 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000879066411 647022687 /nfs/dbraw/zinc/02/26/87/647022687.db2.gz OUDDZXCIUCDJNK-NXEZZACHSA-N 0 3 280.284 0.205 20 5 CCBDHN N[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@H]1F ZINC000886841572 648024689 /nfs/dbraw/zinc/02/46/89/648024689.db2.gz PFZHWXFLRQEKAB-NXEZZACHSA-N 0 3 254.265 0.861 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1C ZINC000928454690 648639926 /nfs/dbraw/zinc/63/99/26/648639926.db2.gz RKAFQCKHSCLRSR-IUCAKERBSA-N 0 3 266.301 0.756 20 5 CCBDHN COCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122317232 799196272 /nfs/dbraw/zinc/19/62/72/799196272.db2.gz UYIHPLFDNIQNHI-UHFFFAOYSA-N 0 3 267.285 0.447 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CC1CC1 ZINC001154111678 800722332 /nfs/dbraw/zinc/72/23/32/800722332.db2.gz HAHDFRPBKVRNTD-UHFFFAOYSA-N 0 3 295.343 0.724 20 5 CCBDHN Cc1nc(Cl)c([N+](=O)[O-])c(-n2nccc2CN)n1 ZINC001155124140 800914016 /nfs/dbraw/zinc/91/40/16/800914016.db2.gz STKFRQPDTUSDMO-UHFFFAOYSA-N 0 3 268.664 0.991 20 5 CCBDHN O=[N+]([O-])c1ccnc(NCc2nnn3c2CNCCC3)c1 ZINC001155389898 800965608 /nfs/dbraw/zinc/96/56/08/800965608.db2.gz LENGOVSDQPFVKI-UHFFFAOYSA-N 0 3 289.299 0.687 20 5 CCBDHN C[C@@H](Nc1cc(N)c([N+](=O)[O-])cn1)[C@@H]1CNCCO1 ZINC001159497947 801822663 /nfs/dbraw/zinc/82/26/63/801822663.db2.gz JXLJOXZBOVBKMS-XCBNKYQSSA-N 0 3 267.289 0.361 20 5 CCBDHN O=c1[n-]cnc(OC2CC[NH+](CCF)CC2)c1[N+](=O)[O-] ZINC001228144607 805418326 /nfs/dbraw/zinc/41/83/26/805418326.db2.gz WHKBYEBBSJDMDW-UHFFFAOYSA-N 0 3 286.263 0.903 20 5 CCBDHN O=C(NCCNC/C(Cl)=C/Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001126936882 815324400 /nfs/dbraw/zinc/32/44/00/815324400.db2.gz VUGIDLDECXUTPT-QYPICMNDSA-N 0 3 282.127 0.676 20 5 CCBDHN Cc1cc(CN)nn1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001156038561 822297668 /nfs/dbraw/zinc/29/76/68/822297668.db2.gz BTJVIROASHOFMA-UHFFFAOYSA-N 0 3 283.675 0.834 20 5 CCBDHN CN(C1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)[C@H]1CCOC1 ZINC001169051342 836117113 /nfs/dbraw/zinc/11/71/13/836117113.db2.gz DMJCHIIJXNMBNR-AGIUHOORSA-N 0 3 283.372 0.837 20 5 CCBDHN COc1cc([N+](=O)[O-])cnc1-n1nncc1CN ZINC001169303862 836205245 /nfs/dbraw/zinc/20/52/45/836205245.db2.gz GNYUDZVQAPEQKO-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN CC(COC(=O)CCOC[C@@H]1CCCO1)[N+](=O)[O-] ZINC000813100036 838675849 /nfs/dbraw/zinc/67/58/49/838675849.db2.gz KNGAJMJTHHOKIB-UWVGGRQHSA-N 0 3 261.274 0.781 20 5 CCBDHN CC(COC(=O)CCCn1ccccc1=O)[N+](=O)[O-] ZINC000813102371 838677042 /nfs/dbraw/zinc/67/70/42/838677042.db2.gz QCFLNLQYWSIULI-JTQLQIEISA-N 0 3 268.269 0.837 20 5 CCBDHN C[C@@H](Nc1cc([N+](=O)[O-])ccn1)[C@@H]1CNCCO1 ZINC001159489766 839303477 /nfs/dbraw/zinc/30/34/77/839303477.db2.gz RKAZQQSBQRFXIC-SCZZXKLOSA-N 0 3 252.274 0.779 20 5 CCBDHN NC(=O)[C@H](CO)N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903752 841981943 /nfs/dbraw/zinc/98/19/43/841981943.db2.gz TTWOODJTMKVARM-AAEUAGOBSA-N 0 3 293.323 0.278 20 5 CCBDHN CCN(CCNCc1cnc(C)o1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482925412 894701472 /nfs/dbraw/zinc/70/14/72/894701472.db2.gz VMNKTNYLGMCTCV-VXGBXAGGSA-N 0 3 296.327 0.586 20 5 CCBDHN C[C@H]1[C@@H](O)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001307774002 908342139 /nfs/dbraw/zinc/34/21/39/908342139.db2.gz CGYQLSLYCDHYET-GVXVVHGQSA-N 0 3 296.323 0.790 20 5 CCBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC001328847229 915473275 /nfs/dbraw/zinc/47/32/75/915473275.db2.gz BDWMJAQYZPKTRZ-OBJOEFQTSA-N 0 3 296.323 0.161 20 5 CCBDHN CC[C@@H](C[N+](=O)[O-])OC(=O)C1CCCN(C2CC2)C1=O ZINC001345002909 923757231 /nfs/dbraw/zinc/75/72/31/923757231.db2.gz ZNLUJIIBNRXUHU-WDEREUQCSA-N 0 3 284.312 0.986 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN3CCC[C@@H]3CO2)nc1 ZINC000091673451 349472765 /nfs/dbraw/zinc/47/27/65/349472765.db2.gz YTPRECYDTNHXCD-KOLCDFICSA-N 0 3 279.300 0.660 20 5 CCBDHN CN(C)[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000601592209 362320913 /nfs/dbraw/zinc/32/09/13/362320913.db2.gz NRPJUVNKJRLBIU-QWRGUYRKSA-N 0 3 297.286 0.481 20 5 CCBDHN CCN[C@@H](C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602500925 362647084 /nfs/dbraw/zinc/64/70/84/362647084.db2.gz CLPAMQDHCZYPIU-JTQLQIEISA-N 0 3 295.343 0.953 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCN1CCOCC1 ZINC000602773543 362793350 /nfs/dbraw/zinc/79/33/50/362793350.db2.gz QYNJKQNMNYQPBD-UHFFFAOYSA-N 0 3 297.359 0.364 20 5 CCBDHN C[C@@H]1COCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602817600 362816976 /nfs/dbraw/zinc/81/69/76/362816976.db2.gz CEFTVVUURUBVER-PSASIEDQSA-N 0 3 254.290 0.843 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC23CCOCC3)c1 ZINC000618060341 365881457 /nfs/dbraw/zinc/88/14/57/365881457.db2.gz MRBRYWSZLAIXLM-GFCCVEGCSA-N 0 3 296.327 0.407 20 5 CCBDHN COC(=O)[C@H]1C[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602902073 362876037 /nfs/dbraw/zinc/87/60/37/362876037.db2.gz FSHUYHDCGAKRDG-PHIMTYICSA-N 0 3 296.327 0.983 20 5 CCBDHN CN(C)CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000536467911 290852205 /nfs/dbraw/zinc/85/22/05/290852205.db2.gz QVURBFDTLIGMHK-UHFFFAOYSA-N 0 3 296.327 0.834 20 5 CCBDHN CC(C(=O)NCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000046149954 348350804 /nfs/dbraw/zinc/35/08/04/348350804.db2.gz BANGKIDVTZITRZ-MRVPVSSYSA-N 0 3 286.309 0.644 20 5 CCBDHN CC(C(=O)NCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000049401843 348451357 /nfs/dbraw/zinc/45/13/57/348451357.db2.gz PLICUCGRIAKDKM-MRVPVSSYSA-N 0 3 286.309 0.644 20 5 CCBDHN COCCN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000054356200 348554605 /nfs/dbraw/zinc/55/46/05/348554605.db2.gz PKSGRXIXHHTIAY-LBPRGKRZSA-N 0 3 284.312 0.913 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)N(C)C ZINC000068182008 348801578 /nfs/dbraw/zinc/80/15/78/348801578.db2.gz DFYSPSVVSZGSKC-QMMMGPOBSA-N 0 3 269.305 0.166 20 5 CCBDHN COC[C@@H](O)CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000071272440 348907241 /nfs/dbraw/zinc/90/72/41/348907241.db2.gz XSSNBIDNCXFJEM-NSHDSACASA-N 0 3 270.285 0.571 20 5 CCBDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)CO ZINC000274006150 192399692 /nfs/dbraw/zinc/39/96/92/192399692.db2.gz LIIUPAHDHRIGJB-RKDXNWHRSA-N 0 3 281.312 0.800 20 5 CCBDHN COc1ccc(OC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000080745188 349227551 /nfs/dbraw/zinc/22/75/51/349227551.db2.gz SCIJMALWEMNSAY-SNVBAGLBSA-N 0 3 268.269 0.971 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCNCC1(C)C ZINC000088138810 349357858 /nfs/dbraw/zinc/35/78/58/349357858.db2.gz UWAKMCRPHKMDDP-UHFFFAOYSA-N 0 3 266.301 0.757 20 5 CCBDHN C[C@@H](O)CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000131243322 350269343 /nfs/dbraw/zinc/26/93/43/350269343.db2.gz BXAHBKYFTGILKU-PWSUYJOCSA-N 0 3 284.312 0.647 20 5 CCBDHN CC1CCN(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000135997515 350411791 /nfs/dbraw/zinc/41/17/91/350411791.db2.gz JHCWYIJERAVZRH-UHFFFAOYSA-N 0 3 281.316 0.780 20 5 CCBDHN CC1CCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000135997515 350411797 /nfs/dbraw/zinc/41/17/97/350411797.db2.gz JHCWYIJERAVZRH-UHFFFAOYSA-N 0 3 281.316 0.780 20 5 CCBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000142255814 350457045 /nfs/dbraw/zinc/45/70/45/350457045.db2.gz LSSMOFFNLRBXDY-UHFFFAOYSA-N 0 3 254.290 0.567 20 5 CCBDHN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(C)C1 ZINC000153937969 350568280 /nfs/dbraw/zinc/56/82/80/350568280.db2.gz YJUQCODFDBRVMG-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN CC(C)N1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000161082760 350711895 /nfs/dbraw/zinc/71/18/95/350711895.db2.gz IJCSWQQTGNVGSY-QWRGUYRKSA-N 0 3 295.343 0.636 20 5 CCBDHN Cc1ccncc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000162778396 350753294 /nfs/dbraw/zinc/75/32/94/350753294.db2.gz WZMWWCUGFOAICO-CYBMUJFWSA-N 0 3 291.311 0.645 20 5 CCBDHN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(C)C1 ZINC000172757662 351008509 /nfs/dbraw/zinc/00/85/09/351008509.db2.gz YTDMGOLAPGRYCZ-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN CN(C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000122145203 187017420 /nfs/dbraw/zinc/01/74/20/187017420.db2.gz KATRDTFHBZBTLS-UHFFFAOYSA-N 0 3 277.284 0.763 20 5 CCBDHN C[C@H](O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000249458573 352491698 /nfs/dbraw/zinc/49/16/98/352491698.db2.gz YSVGUKFAGCNNJR-RYUDHWBXSA-N 0 3 297.359 0.178 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1CO ZINC000248897335 352465018 /nfs/dbraw/zinc/46/50/18/352465018.db2.gz GTILDGPHKZEZQG-KOLCDFICSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000270732411 352975334 /nfs/dbraw/zinc/97/53/34/352975334.db2.gz GTLAWOKERCQTFG-IONNQARKSA-N 0 3 279.300 0.530 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270732411 352975335 /nfs/dbraw/zinc/97/53/35/352975335.db2.gz GTLAWOKERCQTFG-IONNQARKSA-N 0 3 279.300 0.530 20 5 CCBDHN C[C@@H]1CCCCN1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271125175 353024982 /nfs/dbraw/zinc/02/49/82/353024982.db2.gz OXXFKIXZAFKDII-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000272678217 353085234 /nfs/dbraw/zinc/08/52/34/353085234.db2.gz KHLABQGWQZOPJK-SNVBAGLBSA-N 0 3 293.327 0.558 20 5 CCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCO ZINC000153142181 188067392 /nfs/dbraw/zinc/06/73/92/188067392.db2.gz UBYMOGWPXOVZNV-UHFFFAOYSA-N 0 3 297.311 0.856 20 5 CCBDHN CC[C@H]1CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292320498 198243332 /nfs/dbraw/zinc/24/33/32/198243332.db2.gz FGTMALBZMQYFSN-ONGXEEELSA-N 0 3 254.290 0.637 20 5 CCBDHN Cc1ccc(CN[C@H](CO)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000419818023 234451494 /nfs/dbraw/zinc/45/14/94/234451494.db2.gz SCRMBKHIDNMMTH-MWLCHTKSSA-N 0 3 254.286 0.735 20 5 CCBDHN C[C@@H](CO)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000282913083 353462644 /nfs/dbraw/zinc/46/26/44/353462644.db2.gz XVLUUOWWRXOOOM-VIFPVBQESA-N 0 3 255.274 0.069 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CN1C1CC1 ZINC000286367413 353581648 /nfs/dbraw/zinc/58/16/48/353581648.db2.gz ACNQXYNKRJEMCJ-YUMQZZPRSA-N 0 3 279.300 0.673 20 5 CCBDHN CO[C@@H](CN)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000289902224 353692781 /nfs/dbraw/zinc/69/27/81/353692781.db2.gz JEOXXWIILLFVHK-NSHDSACASA-N 0 3 267.285 0.227 20 5 CCBDHN CO[C@H]1COC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000290097885 353707722 /nfs/dbraw/zinc/70/77/22/353707722.db2.gz IJXRYOKVUKRUNY-STQMWFEESA-N 0 3 282.296 0.977 20 5 CCBDHN CCN1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000298729933 353966648 /nfs/dbraw/zinc/96/66/48/353966648.db2.gz NZIGPAMQCIIEEQ-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN C[C@@H](O)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000305879447 354167699 /nfs/dbraw/zinc/16/76/99/354167699.db2.gz TWXQDSKJZAMSOJ-MNOVXSKESA-N 0 3 281.312 0.459 20 5 CCBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CNCCO1 ZINC000423985127 235131578 /nfs/dbraw/zinc/13/15/78/235131578.db2.gz CTCIOSAIBGINIX-LBPRGKRZSA-N 0 3 295.295 0.078 20 5 CCBDHN CCN1CCC(N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000345440932 355826453 /nfs/dbraw/zinc/82/64/53/355826453.db2.gz IBHQAYDOAFLFRZ-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1CO ZINC000362090768 138046274 /nfs/dbraw/zinc/04/62/74/138046274.db2.gz OOOIKQNTEPPXBW-VHSXEESVSA-N 0 3 254.290 0.352 20 5 CCBDHN CN(C)CCn1nccc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000359493943 356832164 /nfs/dbraw/zinc/83/21/64/356832164.db2.gz UPSHDXWYPDHYRQ-UHFFFAOYSA-N 0 3 293.287 0.328 20 5 CCBDHN Cc1nc(NC[C@H]2CCCCN2CCO)ncc1[N+](=O)[O-] ZINC000450608532 236100093 /nfs/dbraw/zinc/10/00/93/236100093.db2.gz DPVVGJRAHPOQRV-LLVKDONJSA-N 0 3 295.343 0.374 20 5 CCBDHN COC(=O)c1cnc(N2CCNC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000420275552 358179475 /nfs/dbraw/zinc/17/94/75/358179475.db2.gz LDLXEPOJKXXEDK-UHFFFAOYSA-N 0 3 294.311 0.965 20 5 CCBDHN CN(C)CCO[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000610764383 363610305 /nfs/dbraw/zinc/61/03/05/363610305.db2.gz BKDXUKJZGQDSIX-SNVBAGLBSA-N 0 3 283.332 0.485 20 5 CCBDHN CC[C@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000586782811 359290080 /nfs/dbraw/zinc/29/00/80/359290080.db2.gz AGHLDOYZSHIBSN-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442916 359465785 /nfs/dbraw/zinc/46/57/85/359465785.db2.gz HRSSFCKSTZJDFA-VXNVDRBHSA-N 0 3 265.273 0.094 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000590444240 359467043 /nfs/dbraw/zinc/46/70/43/359467043.db2.gz NBMQDJNHCIBYRD-BXKDBHETSA-N 0 3 290.323 0.953 20 5 CCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N(C)C ZINC000590800504 359524273 /nfs/dbraw/zinc/52/42/73/359524273.db2.gz UCJBEIPJQYOSAY-QMMMGPOBSA-N 0 3 254.290 0.613 20 5 CCBDHN CC(C)[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000592242519 359804432 /nfs/dbraw/zinc/80/44/32/359804432.db2.gz SJOBWRZRPBNEKO-GFCCVEGCSA-N 0 3 295.343 0.638 20 5 CCBDHN CN(CCN1CCCCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000593883468 360193595 /nfs/dbraw/zinc/19/35/95/360193595.db2.gz OYNZMQQGVWHNQX-UHFFFAOYSA-N 0 3 295.343 0.886 20 5 CCBDHN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595107425 360437257 /nfs/dbraw/zinc/43/72/57/360437257.db2.gz CSPRJLZVHWLFGL-UHFFFAOYSA-N 0 3 274.302 0.005 20 5 CCBDHN CN(C)[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000595498688 360551018 /nfs/dbraw/zinc/55/10/18/360551018.db2.gz VWCDDYXMRAESBA-STQMWFEESA-N 0 3 283.303 0.841 20 5 CCBDHN C[C@]12COC[C@@H]1CN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595757242 360643045 /nfs/dbraw/zinc/64/30/45/360643045.db2.gz IJNXXHSCMWVBLZ-FZMZJTMJSA-N 0 3 293.323 0.725 20 5 CCBDHN N[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595989933 360763749 /nfs/dbraw/zinc/76/37/49/360763749.db2.gz MTIWBYYPACVGSV-NXEZZACHSA-N 0 3 296.302 0.904 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCOC3(CNC3)C2)c1 ZINC000596099228 360794101 /nfs/dbraw/zinc/79/41/01/360794101.db2.gz QCSNHNIXMUZXLU-UHFFFAOYSA-N 0 3 291.307 0.718 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000596243024 360849676 /nfs/dbraw/zinc/84/96/76/360849676.db2.gz JIPNVUNIONGSSY-VIFPVBQESA-N 0 3 291.311 0.872 20 5 CCBDHN CC(C)Oc1nc(N[C@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000596242349 360849919 /nfs/dbraw/zinc/84/99/19/360849919.db2.gz FHEZXJZWZLLJBW-JTQLQIEISA-N 0 3 298.343 0.533 20 5 CCBDHN Nc1ccc(N2CCN3CCC2CC3)nc1[N+](=O)[O-] ZINC000596204608 360832781 /nfs/dbraw/zinc/83/27/81/360832781.db2.gz BGUANQSNSRWKMC-UHFFFAOYSA-N 0 3 263.301 0.856 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN(C)C ZINC000597652934 361175041 /nfs/dbraw/zinc/17/50/41/361175041.db2.gz GFHWMDHJZPQYQL-NSHDSACASA-N 0 3 295.339 0.864 20 5 CCBDHN CC(C)(C)N1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000597926328 361284909 /nfs/dbraw/zinc/28/49/09/361284909.db2.gz YKSSYBCYOMXMIE-VIFPVBQESA-N 0 3 296.331 0.175 20 5 CCBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000597857623 361270183 /nfs/dbraw/zinc/27/01/83/361270183.db2.gz HEIQRVBAFHVVHS-SECBINFHSA-N 0 3 296.331 0.175 20 5 CCBDHN CC(C)(C)N1CC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000597859872 361272630 /nfs/dbraw/zinc/27/26/30/361272630.db2.gz ZWCNNAXSDIICHF-JTQLQIEISA-N 0 3 295.343 0.780 20 5 CCBDHN CN(C)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183626134 189364657 /nfs/dbraw/zinc/36/46/57/189364657.db2.gz CBUCCUMINGTUEV-UHFFFAOYSA-N 0 3 253.262 0.673 20 5 CCBDHN O=[N+]([O-])c1ccccc1CNCCN1CC[C@H](O)C1 ZINC000599017786 361557238 /nfs/dbraw/zinc/55/72/38/361557238.db2.gz BVYRURWMJYJVBY-LBPRGKRZSA-N 0 3 265.313 0.751 20 5 CCBDHN CC[C@@H](C)[C@@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000236976382 189856826 /nfs/dbraw/zinc/85/68/26/189856826.db2.gz SYCJGLQMNMYHKG-PSASIEDQSA-N 0 3 269.305 0.281 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268136020 190380113 /nfs/dbraw/zinc/38/01/13/190380113.db2.gz CLFBYYJFFPIOPF-GMSGAONNSA-N 0 3 293.327 0.839 20 5 CCBDHN CO[C@H]1CN[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000575039116 335057733 /nfs/dbraw/zinc/05/77/33/335057733.db2.gz YIFRGIJIFLZLEB-VXGBXAGGSA-N 0 3 291.307 0.861 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1O ZINC000186857695 388857002 /nfs/dbraw/zinc/85/70/02/388857002.db2.gz OXHHAXNPQOXBQX-ZJUUUORDSA-N 0 3 254.290 0.494 20 5 CCBDHN Cc1cn[nH]c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000289555109 388872093 /nfs/dbraw/zinc/87/20/93/388872093.db2.gz QMVBALGZLKOVEC-UHFFFAOYSA-N 0 3 250.262 0.613 20 5 CCBDHN C[C@@H]1C[C@H](O)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340911245 389165428 /nfs/dbraw/zinc/16/54/28/389165428.db2.gz PDTOJBJZLVAKNB-KGYLQXTDSA-N 0 3 296.323 0.790 20 5 CCBDHN C[C@H](O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000136330647 389266133 /nfs/dbraw/zinc/26/61/33/389266133.db2.gz ACBHTTQVTCMBDE-WDEREUQCSA-N 0 3 268.317 0.884 20 5 CCBDHN CCN1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000159488469 389367859 /nfs/dbraw/zinc/36/78/59/389367859.db2.gz ALZMLOBTQLRGMM-UHFFFAOYSA-N 0 3 267.289 0.532 20 5 CCBDHN CN(CCN(C)C1CC1)c1c([N+](=O)[O-])ncn1C ZINC000351563407 389615612 /nfs/dbraw/zinc/61/56/12/389615612.db2.gz NQWNDRYDBXGRFT-UHFFFAOYSA-N 0 3 253.306 0.859 20 5 CCBDHN Cc1ccc(CNC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415096398 389657905 /nfs/dbraw/zinc/65/79/05/389657905.db2.gz PRGZXFUGGLOQBS-LBPRGKRZSA-N 0 3 265.313 0.981 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CNCCO2)c1 ZINC000415096430 389658138 /nfs/dbraw/zinc/65/81/38/389658138.db2.gz PVNLQIVJLMQOHD-GFCCVEGCSA-N 0 3 251.286 0.673 20 5 CCBDHN C[C@@H](CN1CCOCC1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000434698839 389942364 /nfs/dbraw/zinc/94/23/64/389942364.db2.gz HQLNPJGFYOVXLG-LBPRGKRZSA-N 0 3 297.359 0.444 20 5 CCBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]1 ZINC000580073634 390217247 /nfs/dbraw/zinc/21/72/47/390217247.db2.gz QOCJRACORBZVRJ-MRVPVSSYSA-N 0 3 286.313 0.020 20 5 CCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])o1 ZINC000554686047 390439455 /nfs/dbraw/zinc/43/94/55/390439455.db2.gz YWIULSJWVDGZSE-CYBMUJFWSA-N 0 3 295.295 0.374 20 5 CCBDHN C[C@H]1C[C@@H](O)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341756827 130024745 /nfs/dbraw/zinc/02/47/45/130024745.db2.gz VKZDFFDOKCMRLB-GXSJLCMTSA-N 0 3 267.285 0.212 20 5 CCBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356467801 144005543 /nfs/dbraw/zinc/00/55/43/144005543.db2.gz PBDJOXKHKCJFJJ-QMMMGPOBSA-N 0 3 267.289 0.010 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000356732586 144028186 /nfs/dbraw/zinc/02/81/86/144028186.db2.gz RZBWQYDGIRATAK-ONGXEEELSA-N 0 3 293.327 0.495 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000358064628 144148699 /nfs/dbraw/zinc/14/86/99/144148699.db2.gz LHMUSUXDQYKCIO-AWEZNQCLSA-N 0 3 293.323 0.320 20 5 CCBDHN CN1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547751579 285972598 /nfs/dbraw/zinc/97/25/98/285972598.db2.gz SHRDVFZWCDQAOG-UHFFFAOYSA-N 0 3 253.262 0.142 20 5 CCBDHN C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N(C)C1CC1 ZINC000548742167 286064268 /nfs/dbraw/zinc/06/42/68/286064268.db2.gz IPLFWZRTUSBFOF-MRVPVSSYSA-N 0 3 293.327 0.615 20 5 CCBDHN Cc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1[N+](=O)[O-] ZINC000020434506 171200186 /nfs/dbraw/zinc/20/01/86/171200186.db2.gz LYFNINPITLGHGD-NXEZZACHSA-N 0 3 265.269 0.565 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285045999 196185670 /nfs/dbraw/zinc/18/56/70/196185670.db2.gz PYOKWGGDADFDCR-MRVPVSSYSA-N 0 3 267.289 0.532 20 5 CCBDHN CN(C)CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000035452921 172205837 /nfs/dbraw/zinc/20/58/37/172205837.db2.gz QLACLHUWSXDVHR-UHFFFAOYSA-N 0 3 280.284 0.899 20 5 CCBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285603520 196340828 /nfs/dbraw/zinc/34/08/28/196340828.db2.gz JJWZEAAAWLVTSK-UHFFFAOYSA-N 0 3 285.304 0.016 20 5 CCBDHN CCN(CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000071794358 176263882 /nfs/dbraw/zinc/26/38/82/176263882.db2.gz UMXXFNVLPXYVDA-LBPRGKRZSA-N 0 3 284.312 0.649 20 5 CCBDHN CC1(C)CNCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000088138812 544505406 /nfs/dbraw/zinc/50/54/06/544505406.db2.gz RZTOCFDKOYLVNJ-UHFFFAOYSA-N 0 3 252.274 0.747 20 5 CCBDHN CN(C)C[C@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000519140217 265329589 /nfs/dbraw/zinc/32/95/89/265329589.db2.gz ODICMJPFLNCKOW-SNVBAGLBSA-N 0 3 296.331 0.129 20 5 CCBDHN CCO[C@@H]1COC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000451949676 276342558 /nfs/dbraw/zinc/34/25/58/276342558.db2.gz XUEWLMUXQOFRNQ-VXGBXAGGSA-N 0 3 297.311 0.150 20 5 CCBDHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104228211 279297922 /nfs/dbraw/zinc/29/79/22/279297922.db2.gz UDPHFAFYQAEANJ-ZCFIWIBFSA-N 0 3 293.732 0.874 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@](O)(C(N)=O)C1 ZINC000276558477 281021993 /nfs/dbraw/zinc/02/19/93/281021993.db2.gz LKRMZPQWSPNPDQ-HZMBPMFUSA-N 0 3 293.323 0.886 20 5 CCBDHN Cc1ccnc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000517758694 292774602 /nfs/dbraw/zinc/77/46/02/292774602.db2.gz CGXLJNROCWQXBM-NXEZZACHSA-N 0 3 291.311 0.046 20 5 CCBDHN C[C@H](CN(C)C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000354554200 524289433 /nfs/dbraw/zinc/28/94/33/524289433.db2.gz SLMMBGQMACAKPY-SECBINFHSA-N 0 3 284.320 0.041 20 5 CCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N(C)C ZINC000050708810 524714494 /nfs/dbraw/zinc/71/44/94/524714494.db2.gz NRKRHOKJIIDZKB-QMMMGPOBSA-N 0 3 266.301 0.857 20 5 CCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)CN1 ZINC000366552738 527245308 /nfs/dbraw/zinc/24/53/08/527245308.db2.gz DPNZCXAYEWBMMI-QWRGUYRKSA-N 0 3 281.287 0.954 20 5 CCBDHN CCCN(C)CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000427590070 527820061 /nfs/dbraw/zinc/82/00/61/527820061.db2.gz WREJIFMVTSGSMQ-UHFFFAOYSA-N 0 3 269.305 0.249 20 5 CCBDHN CN1CCC[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000778541424 581159408 /nfs/dbraw/zinc/15/94/08/581159408.db2.gz FAQIPZIGWZLSHU-STQMWFEESA-N 0 3 293.323 0.839 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000761072366 581885871 /nfs/dbraw/zinc/88/58/71/581885871.db2.gz SRQWLPKSYUVVBD-JTQLQIEISA-N 0 3 253.306 0.427 20 5 CCBDHN CC(C)CC(=O)NCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113163 614018665 /nfs/dbraw/zinc/01/86/65/614018665.db2.gz BSUCLZYGVIITRT-SECBINFHSA-N 0 3 260.290 0.747 20 5 CCBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(C)C)C1 ZINC000950055646 614651403 /nfs/dbraw/zinc/65/14/03/614651403.db2.gz IXGSIMUOKAYFIS-GHMZBOCLSA-N 0 3 255.318 0.593 20 5 CCBDHN CCCCN1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000950055695 614964163 /nfs/dbraw/zinc/96/41/63/614964163.db2.gz LZYDVDFWXYISQA-VXGBXAGGSA-N 0 3 269.345 0.984 20 5 CCBDHN CN(C)CCN(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826772135 615891152 /nfs/dbraw/zinc/89/11/52/615891152.db2.gz YRSNXSZBQHIXCW-GFCCVEGCSA-N 0 3 281.312 0.648 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000808175075 615938097 /nfs/dbraw/zinc/93/80/97/615938097.db2.gz RRYVOAVEIJDIOI-FZKGZDJFSA-N 0 3 293.323 0.647 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2CN(C)C[C@H]21 ZINC000893939935 616362987 /nfs/dbraw/zinc/36/29/87/616362987.db2.gz KREKRDAUUPJNAL-DTWKUNHWSA-N 0 3 251.290 0.469 20 5 CCBDHN CO[C@@H](C)C(=N)NOCc1onc(C)c1[N+](=O)[O-] ZINC000853673394 617131562 /nfs/dbraw/zinc/13/15/62/617131562.db2.gz CSWUDHVUMQUIOH-LURJTMIESA-N 0 3 258.234 0.925 20 5 CCBDHN CC(COC(=O)c1cccc(C(N)=O)c1)[N+](=O)[O-] ZINC000813104621 624649367 /nfs/dbraw/zinc/64/93/67/624649367.db2.gz PBOVHBZIKZYFBJ-ZETCQYMHSA-N 0 3 252.226 0.608 20 5 CCBDHN CC(COC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)[N+](=O)[O-] ZINC000813115462 624677339 /nfs/dbraw/zinc/67/73/39/624677339.db2.gz SSQLAVOQWIMOBG-BDAKNGLRSA-N 0 3 272.301 0.842 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1N[C@H]1CCN(CC(C)(C)O)C1 ZINC000894862333 631860838 /nfs/dbraw/zinc/86/08/38/631860838.db2.gz HKVPKTHUPBKODJ-VIFPVBQESA-N 0 3 283.332 0.585 20 5 CCBDHN C[C@@H](O)CN(CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000810040530 640922220 /nfs/dbraw/zinc/92/22/20/640922220.db2.gz UFWNTRXWXRKVRO-ZWNOBZJWSA-N 0 3 284.312 0.303 20 5 CCBDHN CC(COC(=O)[C@@H](C)Sc1nncn1C)[N+](=O)[O-] ZINC000813104126 641021901 /nfs/dbraw/zinc/02/19/01/641021901.db2.gz KIUVTBPXUKVSFL-RNFRBKRXSA-N 0 3 274.302 0.504 20 5 CCBDHN CC(COC(=O)c1c(Br)nnn1C)[N+](=O)[O-] ZINC000813102921 641021953 /nfs/dbraw/zinc/02/19/53/641021953.db2.gz LRNWCTGJEKCQAQ-BYPYZUCNSA-N 0 3 293.077 0.400 20 5 CCBDHN CC(COC(=O)[C@H](C)OC[C@@H]1CCCO1)[N+](=O)[O-] ZINC000813103615 641022189 /nfs/dbraw/zinc/02/21/89/641022189.db2.gz RKYDVGPJJALMMC-UTLUCORTSA-N 0 3 261.274 0.779 20 5 CCBDHN CC(COC(=O)[C@]12CCC(=O)N1CCS2)[N+](=O)[O-] ZINC000813103536 641022768 /nfs/dbraw/zinc/02/27/68/641022768.db2.gz QDQNADHUCGNYPM-GMSGAONNSA-N 0 3 274.298 0.260 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[N+](=O)[O-] ZINC000813109629 641023117 /nfs/dbraw/zinc/02/31/17/641023117.db2.gz NHIGKYLSOHWPNP-NKWVEPMBSA-N 0 3 298.217 0.606 20 5 CCBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccn(C)n1 ZINC000816091197 641140781 /nfs/dbraw/zinc/14/07/81/641140781.db2.gz NUHYNXQPGWBRHX-ZETCQYMHSA-N 0 3 294.271 0.131 20 5 CCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000834600928 642613074 /nfs/dbraw/zinc/61/30/74/642613074.db2.gz WVBRNGGQLUIANL-CHWFTXMASA-N 0 3 271.292 0.296 20 5 CCBDHN CC(COC(=O)c1c2n(c(=O)n1C)CCCC2)[N+](=O)[O-] ZINC000835454309 642663699 /nfs/dbraw/zinc/66/36/99/642663699.db2.gz IUIRZXZBUHHKHL-MRVPVSSYSA-N 0 3 283.284 0.345 20 5 CCBDHN CC(COC(=O)c1cn(-c2cccnc2)nn1)[N+](=O)[O-] ZINC000835456999 642665123 /nfs/dbraw/zinc/66/51/23/642665123.db2.gz VUNGHOFIBXUKGJ-MRVPVSSYSA-N 0 3 277.240 0.484 20 5 CCBDHN CC(COC(=O)Cn1nnnc1-c1ccsc1)[N+](=O)[O-] ZINC000842801800 642955308 /nfs/dbraw/zinc/95/53/08/642955308.db2.gz MISDWTWYJHETTK-SSDOTTSWSA-N 0 3 297.296 0.610 20 5 CCBDHN O=C(N[C@H]1C[C@H](NCc2cscn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140688 651043963 /nfs/dbraw/zinc/04/39/63/651043963.db2.gz TYZIFANWEZZCOU-YJFSRANCSA-N 0 3 296.352 0.545 20 5 CCBDHN CC(COC(=O)Cc1cnn2c1CCCC2)[N+](=O)[O-] ZINC000870377272 645987680 /nfs/dbraw/zinc/98/76/80/645987680.db2.gz PMJSJVVCOPRMOW-SECBINFHSA-N 0 3 267.285 0.970 20 5 CCBDHN CC(COC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)[N+](=O)[O-] ZINC000873533308 646387192 /nfs/dbraw/zinc/38/71/92/646387192.db2.gz WNRVEENNLSOSSV-QYNIQEEDSA-N 0 3 298.217 0.509 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CNCCO1 ZINC000876917222 646696508 /nfs/dbraw/zinc/69/65/08/646696508.db2.gz OYPSYEOXOFWTLA-LLVKDONJSA-N 0 3 293.323 0.930 20 5 CCBDHN C[C@@H](NC[C@H](O)[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC000932177502 649055689 /nfs/dbraw/zinc/05/56/89/649055689.db2.gz ADRCDAZXSSDTLQ-PTRXPTGYSA-N 0 3 254.286 0.987 20 5 CCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC001124055954 799547711 /nfs/dbraw/zinc/54/77/11/799547711.db2.gz SRLFBYPUVXEXDU-UHFFFAOYSA-N 0 3 289.295 0.838 20 5 CCBDHN C[C@H]1CN(C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839478169 800025976 /nfs/dbraw/zinc/02/59/76/800025976.db2.gz DBJRDURUIKBJLU-NNYUYHANSA-N 0 3 299.371 0.656 20 5 CCBDHN CN1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]21 ZINC001157259458 801336135 /nfs/dbraw/zinc/33/61/35/801336135.db2.gz FEKQCETZPBCFHX-JQWIXIFHSA-N 0 3 278.312 0.759 20 5 CCBDHN C[C@@H](Nc1ncc(F)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159494843 801818096 /nfs/dbraw/zinc/81/80/96/801818096.db2.gz AEUUTSJGGPSWDI-XCBNKYQSSA-N 0 3 270.264 0.918 20 5 CCBDHN COc1nc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CNCCO2)n1 ZINC001159500849 801827248 /nfs/dbraw/zinc/82/72/48/801827248.db2.gz XWFAWSHGNMDVPF-CBAPKCEASA-N 0 3 297.315 0.491 20 5 CCBDHN O=[N+]([O-])c1cc2c(cc1N[C@@H]1C=CS(=O)(=O)C1)CNC2 ZINC001164016196 802652826 /nfs/dbraw/zinc/65/28/26/802652826.db2.gz PNYOLQWOEKOVGM-SNVBAGLBSA-N 0 3 295.320 0.921 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1ncc2c1CCNC2 ZINC001165220223 802798246 /nfs/dbraw/zinc/79/82/46/802798246.db2.gz KXPZXYKZWMYTIX-UHFFFAOYSA-N 0 3 275.268 0.368 20 5 CCBDHN Cc1ccnc(N2CC[C@@H]3NCCO[C@H]3C2)c1[N+](=O)[O-] ZINC001165269103 802808113 /nfs/dbraw/zinc/80/81/13/802808113.db2.gz DLLTYBZHSKSJMU-QWRGUYRKSA-N 0 3 278.312 0.865 20 5 CCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N(C)C[C@@H](O)CO ZINC001254560643 808260052 /nfs/dbraw/zinc/26/00/52/808260052.db2.gz GQMCSQZRNTXDAG-ZYHUDNBSSA-N 0 3 268.313 0.811 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H](O)[C@@H](CO)C1)C2 ZINC001254595839 808264361 /nfs/dbraw/zinc/26/43/61/808264361.db2.gz ZMLJTTOIWDQOEE-YUELXQCFSA-N 0 3 292.335 0.737 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H](O)[C@H](CO)C1)C2 ZINC001254595835 808264688 /nfs/dbraw/zinc/26/46/88/808264688.db2.gz ZMLJTTOIWDQOEE-CFVMTHIKSA-N 0 3 292.335 0.737 20 5 CCBDHN O=C(NCC1CN(Cc2ccsc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662755 817229052 /nfs/dbraw/zinc/22/90/52/817229052.db2.gz LINIODNMHMMWMV-VXGBXAGGSA-N 0 3 295.364 0.961 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000691303528 817844761 /nfs/dbraw/zinc/84/47/61/817844761.db2.gz VYPAWGXBPWEKKS-UHFFFAOYSA-N 0 3 281.312 0.591 20 5 CCBDHN CN(C)CCN(C)c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001163590007 820149385 /nfs/dbraw/zinc/14/93/85/820149385.db2.gz IGLIKPQEEKWQQO-UHFFFAOYSA-N 0 3 274.708 0.879 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(C3COC3)CC2)C1 ZINC001169009122 836097437 /nfs/dbraw/zinc/09/74/37/836097437.db2.gz VQFUDBCJTXCQFM-NEPJUHHUSA-N 0 3 269.345 0.448 20 5 CCBDHN CN(C1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)[C@H]1CCOC1 ZINC001169051343 836116828 /nfs/dbraw/zinc/11/68/28/836116828.db2.gz DMJCHIIJXNMBNR-AVGNSLFASA-N 0 3 283.372 0.837 20 5 CCBDHN CC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1C ZINC001169048240 836117175 /nfs/dbraw/zinc/11/71/75/836117175.db2.gz UAGDHOQWOODCLM-RAIGVLPGSA-N 0 3 269.345 0.984 20 5 CCBDHN C[C@H](N)c1ccn(-c2ncc([N+](=O)[O-])cc2C(N)=O)n1 ZINC001169227336 836163668 /nfs/dbraw/zinc/16/36/68/836163668.db2.gz BYLJGGYABGICRB-LURJTMIESA-N 0 3 276.256 0.294 20 5 CCBDHN O=C1CO[C@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)CN1 ZINC001169275679 836181841 /nfs/dbraw/zinc/18/18/41/836181841.db2.gz UMWHDSHHOHPKDG-SNVBAGLBSA-N 0 3 292.295 0.125 20 5 CCBDHN COc1cnc(-n2nncc2CN)cc1[N+](=O)[O-] ZINC001169308873 836207769 /nfs/dbraw/zinc/20/77/69/836207769.db2.gz TXCMNLTZBDILNT-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN C[C@@H](Nc1ncnc2[nH]cc([N+](=O)[O-])c21)[C@H]1CNCCO1 ZINC001170566304 838126260 /nfs/dbraw/zinc/12/62/60/838126260.db2.gz XQISBYYDQPWRSL-VXNVDRBHSA-N 0 3 292.299 0.655 20 5 CCBDHN COc1ncc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CNCCO2)n1 ZINC001170566282 838126504 /nfs/dbraw/zinc/12/65/04/838126504.db2.gz XMIAZUJQQNZXNE-IONNQARKSA-N 0 3 283.288 0.182 20 5 CCBDHN C[C@H](Nc1ncnc2[nH]cc([N+](=O)[O-])c21)[C@H]1CNCCO1 ZINC001170566302 838126864 /nfs/dbraw/zinc/12/68/64/838126864.db2.gz XQISBYYDQPWRSL-IONNQARKSA-N 0 3 292.299 0.655 20 5 CCBDHN C[C@@H](Nc1nccc(N)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170567034 838128928 /nfs/dbraw/zinc/12/89/28/838128928.db2.gz BYMQZYBVHBRGMK-APPZFPTMSA-N 0 3 267.289 0.361 20 5 CCBDHN CN(CCO)CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001197816900 846985015 /nfs/dbraw/zinc/98/50/15/846985015.db2.gz YGPDVGUDIVWVMX-UHFFFAOYSA-N 0 3 296.327 0.983 20 5 CCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CNCCO1 ZINC001118124171 856170272 /nfs/dbraw/zinc/17/02/72/856170272.db2.gz ZMGZJYGRGYNVSL-JTQLQIEISA-N 0 3 294.311 0.355 20 5 CCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CNCCO1 ZINC001118124172 856170951 /nfs/dbraw/zinc/17/09/51/856170951.db2.gz ZMGZJYGRGYNVSL-SNVBAGLBSA-N 0 3 294.311 0.355 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)C1CNC1)C2 ZINC001333536686 918979151 /nfs/dbraw/zinc/97/91/51/918979151.db2.gz RENGVHDCLGVQNB-UHFFFAOYSA-N 0 3 283.309 0.212 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)C2(O)CCC2)cc1 ZINC001336737400 920968956 /nfs/dbraw/zinc/96/89/56/920968956.db2.gz RBPGLWRGQGYCMR-GFCCVEGCSA-N 0 3 266.297 0.960 20 5 CCBDHN Cc1ccc(C(=O)NCC(=O)OCC(C)[N+](=O)[O-])s1 ZINC001343371386 923285344 /nfs/dbraw/zinc/28/53/44/923285344.db2.gz KSATXCKLIUKOGM-ZETCQYMHSA-N 0 3 286.309 0.995 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CNCCO1)CC2 ZINC001347145320 924385693 /nfs/dbraw/zinc/38/56/93/924385693.db2.gz KXVNLAPHUHKOMQ-AWEZNQCLSA-N 0 3 277.324 0.941 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CCC[C@]3(CO)C2)n1 ZINC000599639479 361768037 /nfs/dbraw/zinc/76/80/37/361768037.db2.gz FEOCJURAXBZHPY-WCQYABFASA-N 0 3 280.328 0.886 20 5 CCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)COC1(C)CNC1 ZINC000098060948 349651058 /nfs/dbraw/zinc/65/10/58/349651058.db2.gz BDCCGXVKJFQOMT-UHFFFAOYSA-N 0 3 293.323 0.932 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CC1(O)CCC1 ZINC000602809878 362811738 /nfs/dbraw/zinc/81/17/38/362811738.db2.gz RRDPIJQVGSJAMG-UHFFFAOYSA-N 0 3 268.317 0.947 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@]2(CNC(=O)C2)C1 ZINC000602821415 362819130 /nfs/dbraw/zinc/81/91/30/362819130.db2.gz MAVWVAAEJLAITJ-CYBMUJFWSA-N 0 3 293.327 0.312 20 5 CCBDHN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCCN1C ZINC000343553936 137141702 /nfs/dbraw/zinc/14/17/02/137141702.db2.gz VKQZLGZAVWLFOR-SFYZADRCSA-N 0 3 266.305 0.692 20 5 CCBDHN CCCN1CCC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343609449 137144907 /nfs/dbraw/zinc/14/49/07/137144907.db2.gz NNGGATZVJLSYBO-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN C[C@H](CN(C)C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000343783535 137157105 /nfs/dbraw/zinc/15/71/05/137157105.db2.gz DEGNDBUWZOKVAD-MRVPVSSYSA-N 0 3 264.289 0.421 20 5 CCBDHN C[C@@H]1C[C@H](CO)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000344146311 137180391 /nfs/dbraw/zinc/18/03/91/137180391.db2.gz PPJUPXMRYKEVGP-NQBHXWOUSA-N 0 3 298.343 0.245 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccnc2)c1 ZINC000037883780 348214783 /nfs/dbraw/zinc/21/47/83/348214783.db2.gz AKQOKANKWACXEW-GFCCVEGCSA-N 0 3 277.284 0.337 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccn2)c1 ZINC000037881309 348215592 /nfs/dbraw/zinc/21/55/92/348215592.db2.gz SKJNBYCHAWZKPG-LBPRGKRZSA-N 0 3 277.284 0.337 20 5 CCBDHN CC[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000040835024 348244179 /nfs/dbraw/zinc/24/41/79/348244179.db2.gz CLYZDYUEPXCFHY-ZDUSSCGKSA-N 0 3 292.339 0.981 20 5 CCBDHN C[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040835652 348245410 /nfs/dbraw/zinc/24/54/10/348245410.db2.gz GKGHGVBGUNVVPJ-JTQLQIEISA-N 0 3 278.312 0.591 20 5 CCBDHN CC(C)N1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000347148379 137322386 /nfs/dbraw/zinc/32/23/86/137322386.db2.gz FDZMARNNAWVHJH-UHFFFAOYSA-N 0 3 295.343 0.885 20 5 CCBDHN C[C@@H]1CCCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000055377819 348576738 /nfs/dbraw/zinc/57/67/38/348576738.db2.gz SOOMPAYOPMWLLD-LLVKDONJSA-N 0 3 295.343 0.639 20 5 CCBDHN O=C(CCN1CC[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000074325158 348986191 /nfs/dbraw/zinc/98/61/91/348986191.db2.gz UKKQRNAJQQGUDS-SNVBAGLBSA-N 0 3 279.296 0.990 20 5 CCBDHN C[C@@H](O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075738030 349049267 /nfs/dbraw/zinc/04/92/67/349049267.db2.gz FUODQTAEOTWEPM-ZWNOBZJWSA-N 0 3 298.343 0.245 20 5 CCBDHN Nc1nc(NCCN2CCCC2)ncc1[N+](=O)[O-] ZINC000076512119 349086148 /nfs/dbraw/zinc/08/61/48/349086148.db2.gz QXMDXRWFDTZQCY-UHFFFAOYSA-N 0 3 252.278 0.475 20 5 CCBDHN CN1CCC(O)(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000080882932 349231986 /nfs/dbraw/zinc/23/19/86/349231986.db2.gz VKBKJMCWQRHUHY-UHFFFAOYSA-N 0 3 293.323 0.781 20 5 CCBDHN CC[C@@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000130539414 350239359 /nfs/dbraw/zinc/23/93/59/350239359.db2.gz NVJMCMMITUQANF-GXSJLCMTSA-N 0 3 293.327 0.740 20 5 CCBDHN CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000132839455 350316902 /nfs/dbraw/zinc/31/69/02/350316902.db2.gz WGPMJZKBBQVJHP-LBPRGKRZSA-N 0 3 296.302 0.449 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@]3(CCOC3)C2)n1 ZINC000154070896 350573181 /nfs/dbraw/zinc/57/31/81/350573181.db2.gz SSQFWZKKHASABD-GFCCVEGCSA-N 0 3 266.301 0.904 20 5 CCBDHN CNC(=O)c1ccc(NCCN(C)C)c([N+](=O)[O-])c1 ZINC000108876674 186234718 /nfs/dbraw/zinc/23/47/18/186234718.db2.gz FTKQXGQKXGGDFG-UHFFFAOYSA-N 0 3 266.301 0.928 20 5 CCBDHN CN(C)[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000161516181 350723706 /nfs/dbraw/zinc/72/37/06/350723706.db2.gz FHKZGVMPZNSGJD-SNVBAGLBSA-N 0 3 296.331 0.137 20 5 CCBDHN C[C@@H](O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000174849118 351107917 /nfs/dbraw/zinc/10/79/17/351107917.db2.gz CLJALXWTENJOEW-VXGBXAGGSA-N 0 3 297.359 0.178 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(CCO)C1CC1 ZINC000181550147 351324909 /nfs/dbraw/zinc/32/49/09/351324909.db2.gz VABCAABUWSLSFZ-GFCCVEGCSA-N 0 3 296.323 0.791 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1CO ZINC000190438246 351723372 /nfs/dbraw/zinc/72/33/72/351723372.db2.gz GTILDGPHKZEZQG-MWLCHTKSSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@]1(O)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000124090103 187121753 /nfs/dbraw/zinc/12/17/53/187121753.db2.gz FSIKZEMVKHJCQU-NSHDSACASA-N 0 3 254.290 0.638 20 5 CCBDHN CN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000123535489 187097455 /nfs/dbraw/zinc/09/74/55/187097455.db2.gz CBAWIGNDZOMLQL-UHFFFAOYSA-N 0 3 252.274 0.468 20 5 CCBDHN CNC(=O)c1ccc(NC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000212662554 351931040 /nfs/dbraw/zinc/93/10/40/351931040.db2.gz NINSRWLYTGZRDN-SNVBAGLBSA-N 0 3 294.311 0.355 20 5 CCBDHN CCC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000291967902 198120095 /nfs/dbraw/zinc/12/00/95/198120095.db2.gz RXFVJLIMFLOMPS-LLVKDONJSA-N 0 3 268.317 0.884 20 5 CCBDHN CCC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000291967903 198120462 /nfs/dbraw/zinc/12/04/62/198120462.db2.gz RXFVJLIMFLOMPS-NSHDSACASA-N 0 3 268.317 0.884 20 5 CCBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000227885531 352062016 /nfs/dbraw/zinc/06/20/16/352062016.db2.gz VCFRCQRVTGGISR-SECBINFHSA-N 0 3 293.327 0.738 20 5 CCBDHN Cc1nn(C)c(C(=O)N2C[C@H](C)NC[C@H]2C)c1[N+](=O)[O-] ZINC000237636378 352277004 /nfs/dbraw/zinc/27/70/04/352277004.db2.gz YLBWGXHZZSIEFC-JGVFFNPUSA-N 0 3 281.316 0.459 20 5 CCBDHN C[C@@]1(O)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000248358439 352435671 /nfs/dbraw/zinc/43/56/71/352435671.db2.gz QTXUVGKQYOMWKA-TZMCWYRMSA-N 0 3 296.323 0.791 20 5 CCBDHN Cc1cc(C(=O)NC[C@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000152747539 188040994 /nfs/dbraw/zinc/04/09/94/188040994.db2.gz SNFUEGWYMMMMJR-AWEZNQCLSA-N 0 3 295.339 0.946 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153234820 188071131 /nfs/dbraw/zinc/07/11/31/188071131.db2.gz CCNYFCVRJPGUTN-CQSZACIVSA-N 0 3 295.339 0.566 20 5 CCBDHN CCN(CCOCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282185886 353400661 /nfs/dbraw/zinc/40/06/61/353400661.db2.gz WDVKTRDVJYOYIN-AWEZNQCLSA-N 0 3 298.339 0.959 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N[C@H](CO)CN1CCCCC1 ZINC000295649045 353909884 /nfs/dbraw/zinc/90/98/84/353909884.db2.gz GBMXSVXMRUIPNF-JTQLQIEISA-N 0 3 283.332 0.587 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000299550989 354026633 /nfs/dbraw/zinc/02/66/33/354026633.db2.gz QYJXXCCBPMZSMP-VIFPVBQESA-N 0 3 281.316 0.840 20 5 CCBDHN CC(C)C[C@@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000353772141 356292198 /nfs/dbraw/zinc/29/21/98/356292198.db2.gz YABIAYQUOIEJSR-SNVBAGLBSA-N 0 3 269.305 0.281 20 5 CCBDHN CN(C)C1(CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)CCC1 ZINC000354178950 356360905 /nfs/dbraw/zinc/36/09/05/356360905.db2.gz BJFSEAKIEXMAMD-UHFFFAOYSA-N 0 3 295.343 0.885 20 5 CCBDHN CC(C)C1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000619506673 366270630 /nfs/dbraw/zinc/27/06/30/366270630.db2.gz GQCNUEADENJJFK-LBPRGKRZSA-N 0 3 268.317 0.740 20 5 CCBDHN CC[C@H]1CN(C)CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000619578190 366289878 /nfs/dbraw/zinc/28/98/78/366289878.db2.gz CJYBTZYWDGUWQV-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356112365 356705112 /nfs/dbraw/zinc/70/51/12/356705112.db2.gz CISKJOPMAQQQRD-SNVBAGLBSA-N 0 3 295.343 0.790 20 5 CCBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)cn1 ZINC000405247645 357823818 /nfs/dbraw/zinc/82/38/18/357823818.db2.gz BDWUBHPBZQUIGM-WDEREUQCSA-N 0 3 264.285 0.245 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCN2CCCO)nc1 ZINC000450599213 236098533 /nfs/dbraw/zinc/09/85/33/236098533.db2.gz SCZSDDJOEHLXFX-JTQLQIEISA-N 0 3 281.316 0.065 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C ZINC000408072199 357903081 /nfs/dbraw/zinc/90/30/81/357903081.db2.gz NAOGARXFCCYALM-HTQZYQBOSA-N 0 3 267.289 0.530 20 5 CCBDHN CN1C[C@@H]2CCCN(C(=O)c3c[nH]nc3[N+](=O)[O-])[C@@H]2C1 ZINC000584586721 359174934 /nfs/dbraw/zinc/17/49/34/359174934.db2.gz UTAZTBPYQIJVDS-WCBMZHEXSA-N 0 3 279.300 0.484 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000588863807 359343094 /nfs/dbraw/zinc/34/30/94/359343094.db2.gz ULQIERRTYSKBNY-QMMMGPOBSA-N 0 3 273.314 0.309 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000588867022 359344282 /nfs/dbraw/zinc/34/42/82/359344282.db2.gz VBSXKPBANLJFCG-NSHDSACASA-N 0 3 281.312 0.176 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)[C@H]2C1 ZINC000590044231 359418646 /nfs/dbraw/zinc/41/86/46/359418646.db2.gz IWKWUPFTMNXCOX-KOLCDFICSA-N 0 3 278.312 0.709 20 5 CCBDHN CC[C@H](CN1CCCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000611334949 363708522 /nfs/dbraw/zinc/70/85/22/363708522.db2.gz KLJPDKPXBUOFHY-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN N[C@@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000594694869 360360441 /nfs/dbraw/zinc/36/04/41/360360441.db2.gz WYDTXXUAWPNISQ-HTQZYQBOSA-N 0 3 282.325 0.405 20 5 CCBDHN NC1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC2(CCC2)C1 ZINC000595251870 360458634 /nfs/dbraw/zinc/45/86/34/360458634.db2.gz YSNTXPXINIDXII-UHFFFAOYSA-N 0 3 293.327 0.569 20 5 CCBDHN N[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260785 360464542 /nfs/dbraw/zinc/46/45/42/360464542.db2.gz KYCRHVLWRPLELX-VXGBXAGGSA-N 0 3 297.286 0.871 20 5 CCBDHN CN(CC1=CCCOC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595750493 360639770 /nfs/dbraw/zinc/63/97/70/360639770.db2.gz BWUPCWBHDNTKFY-CYBMUJFWSA-N 0 3 296.327 0.431 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]3COC[C@H]3C2)n1 ZINC000595831284 360671091 /nfs/dbraw/zinc/67/10/91/360671091.db2.gz NANWPQKROCKZHJ-GHMZBOCLSA-N 0 3 266.301 0.760 20 5 CCBDHN CN(C)C[C@H](CO)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596243985 360850672 /nfs/dbraw/zinc/85/06/72/360850672.db2.gz NHJMLWWQGIQPAL-SECBINFHSA-N 0 3 291.311 0.872 20 5 CCBDHN C[C@]1(O)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181949855 189310539 /nfs/dbraw/zinc/31/05/39/189310539.db2.gz BNMIUOLIIBADPF-FZMZJTMJSA-N 0 3 296.323 0.791 20 5 CCBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)N1 ZINC000598531625 361441107 /nfs/dbraw/zinc/44/11/07/361441107.db2.gz MXXDIDFUWPZYEV-JGVFFNPUSA-N 0 3 267.289 0.530 20 5 CCBDHN CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H](C)N1 ZINC000598535565 361441846 /nfs/dbraw/zinc/44/18/46/361441846.db2.gz GRTDGFAKWXYOFJ-GXSJLCMTSA-N 0 3 295.343 0.699 20 5 CCBDHN CC(C)[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1 ZINC000598572954 361447020 /nfs/dbraw/zinc/44/70/20/361447020.db2.gz NNTTXUHJTHSLGX-QMMMGPOBSA-N 0 3 267.289 0.388 20 5 CCBDHN CN(C)CC(C)(C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000598741046 361505431 /nfs/dbraw/zinc/50/54/31/361505431.db2.gz YDVOTXDNNPZMGS-UHFFFAOYSA-N 0 3 255.278 0.388 20 5 CCBDHN COc1ccc(CN[C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599004021 361550120 /nfs/dbraw/zinc/55/01/20/361550120.db2.gz PVUINHUQBINGGM-MGCOHNPYSA-N 0 3 279.296 0.957 20 5 CCBDHN O=[N+]([O-])c1ccn(C2CCN(CCn3cncn3)CC2)n1 ZINC000331663875 204055214 /nfs/dbraw/zinc/05/52/14/204055214.db2.gz OBGVQLVGOWYYEQ-UHFFFAOYSA-N 0 3 291.315 0.720 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262830271 190063704 /nfs/dbraw/zinc/06/37/04/190063704.db2.gz UVJCZBPEUSDXDF-UWVGGRQHSA-N 0 3 295.343 0.699 20 5 CCBDHN CCc1n[nH]c(C(=O)NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000264613755 190122781 /nfs/dbraw/zinc/12/27/81/190122781.db2.gz PVYBKRJAXZGNTR-ZETCQYMHSA-N 0 3 269.305 0.560 20 5 CCBDHN C[C@@H](O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266962116 190293953 /nfs/dbraw/zinc/29/39/53/190293953.db2.gz XYDYSAMRVUCYOQ-SNVBAGLBSA-N 0 3 268.317 0.884 20 5 CCBDHN CN(C)[C@]1(CNc2ncc([N+](=O)[O-])c(N)n2)CCSC1 ZINC000267087944 190302817 /nfs/dbraw/zinc/30/28/17/190302817.db2.gz LZBMAMZQHFOZFT-NSHDSACASA-N 0 3 298.372 0.816 20 5 CCBDHN CN1CCC(O)(CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000267107243 190303803 /nfs/dbraw/zinc/30/38/03/190303803.db2.gz MLBAEJZVMDJRSC-UHFFFAOYSA-N 0 3 299.352 0.843 20 5 CCBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000571175924 291796838 /nfs/dbraw/zinc/79/68/38/291796838.db2.gz NZVLUOPFLBXEQL-STQMWFEESA-N 0 3 295.339 0.710 20 5 CCBDHN CN(C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCSC1 ZINC000285911612 388813424 /nfs/dbraw/zinc/81/34/24/388813424.db2.gz BWZUGUDPHBTUMI-LLVKDONJSA-N 0 3 299.356 0.485 20 5 CCBDHN CCN1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000292657084 388953206 /nfs/dbraw/zinc/95/32/06/388953206.db2.gz CCXJDTWKZIFXKF-NWDGAFQWSA-N 0 3 293.327 0.684 20 5 CCBDHN C[C@@H](CC(N)=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000135737684 389261968 /nfs/dbraw/zinc/26/19/68/389261968.db2.gz MGIIYNVUZLCFIV-VIFPVBQESA-N 0 3 267.285 0.827 20 5 CCBDHN CC[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000269051446 389400122 /nfs/dbraw/zinc/40/01/22/389400122.db2.gz CKAAQNDAZXLRRL-JTQLQIEISA-N 0 3 251.286 0.991 20 5 CCBDHN NC(=O)CC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174842540 389532053 /nfs/dbraw/zinc/53/20/53/389532053.db2.gz FVMCUHVIIQBYIV-LLVKDONJSA-N 0 3 295.343 0.769 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC000351960212 389725799 /nfs/dbraw/zinc/72/57/99/389725799.db2.gz SPQOKKWDIYPYFB-MNOVXSKESA-N 0 3 267.333 0.816 20 5 CCBDHN CNCCN(C)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000440842674 390046009 /nfs/dbraw/zinc/04/60/09/390046009.db2.gz JMALXRVZBKBBSW-UHFFFAOYSA-N 0 3 287.341 0.743 20 5 CCBDHN CCOC(=O)NCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000495950809 390274129 /nfs/dbraw/zinc/27/41/29/390274129.db2.gz OZDPJQNKHQHBIM-QMMMGPOBSA-N 0 3 262.262 0.721 20 5 CCBDHN COCCNCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000565597033 390527458 /nfs/dbraw/zinc/52/74/58/390527458.db2.gz JOKSERNVFMNDDO-UHFFFAOYSA-N 0 3 297.311 0.326 20 5 CCBDHN CNc1nccc(C(=O)NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000521064875 390595025 /nfs/dbraw/zinc/59/50/25/390595025.db2.gz INLHEPPIRFSKDO-UHFFFAOYSA-N 0 3 293.327 0.277 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN2CCC[C@@H]2C1 ZINC000371065517 144317435 /nfs/dbraw/zinc/31/74/35/144317435.db2.gz RTERVZJMGQIZAR-SNVBAGLBSA-N 0 3 265.317 0.608 20 5 CCBDHN Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000552158184 286156517 /nfs/dbraw/zinc/15/65/17/286156517.db2.gz FWYRFBSZRRSINF-STQMWFEESA-N 0 3 293.323 0.650 20 5 CCBDHN CC(C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000006327819 170191836 /nfs/dbraw/zinc/19/18/36/170191836.db2.gz KCTVLDUSCSAUOH-UHFFFAOYSA-N 0 3 287.341 0.871 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417908428 227148732 /nfs/dbraw/zinc/14/87/32/227148732.db2.gz IKCUUUHPMWWBNZ-VHSXEESVSA-N 0 3 296.331 0.183 20 5 CCBDHN C[C@@H]1OCC[C@]1(C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000494270577 278063695 /nfs/dbraw/zinc/06/36/95/278063695.db2.gz IQIIJUUWEUKXCM-GWCFXTLKSA-N 0 3 281.312 0.914 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)CN(C)C ZINC000346137571 293395399 /nfs/dbraw/zinc/39/53/99/293395399.db2.gz FTCISFSQFOEMHF-SECBINFHSA-N 0 3 283.332 0.556 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1C ZINC000423615068 534121620 /nfs/dbraw/zinc/12/16/20/534121620.db2.gz QXOFXEFQKPTKNU-RQJHMYQMSA-N 0 3 253.262 0.140 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1C ZINC000423615067 534122251 /nfs/dbraw/zinc/12/22/51/534122251.db2.gz QXOFXEFQKPTKNU-RNFRBKRXSA-N 0 3 253.262 0.140 20 5 CCBDHN Cc1cnc(NC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000358303227 534587563 /nfs/dbraw/zinc/58/75/63/534587563.db2.gz KKGNDYJWWLCVMS-GFCCVEGCSA-N 0 3 266.301 0.777 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000157354449 526552319 /nfs/dbraw/zinc/55/23/19/526552319.db2.gz DKORQHHWIIZFMI-NSHDSACASA-N 0 3 299.714 0.966 20 5 CCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN2CCC1CC2 ZINC000364936607 527377900 /nfs/dbraw/zinc/37/79/00/527377900.db2.gz PGSDNJQSXYHAIK-UHFFFAOYSA-N 0 3 279.300 0.098 20 5 CCBDHN CN(C)CCOCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345961571 535901287 /nfs/dbraw/zinc/90/12/87/535901287.db2.gz OTLNFZSCJHZUPL-UHFFFAOYSA-N 0 3 284.316 0.241 20 5 CCBDHN C[C@H]1CCCN1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000742240533 581775464 /nfs/dbraw/zinc/77/54/64/581775464.db2.gz RDGMWJYOECKCSB-NSHDSACASA-N 0 3 295.343 0.782 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCC23CCN(C)CC3)c1[N+](=O)[O-] ZINC000748325984 581969544 /nfs/dbraw/zinc/96/95/44/581969544.db2.gz MESFSWDTQJLMSA-UHFFFAOYSA-N 0 3 293.327 0.937 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCC23CCN(C)CC3)c1[N+](=O)[O-] ZINC000748325984 581969545 /nfs/dbraw/zinc/96/95/45/581969545.db2.gz MESFSWDTQJLMSA-UHFFFAOYSA-N 0 3 293.327 0.937 20 5 CCBDHN CO[C@@H]1COCC[C@H]1CC(=O)OCC(C)[N+](=O)[O-] ZINC000835456279 616803214 /nfs/dbraw/zinc/80/32/14/616803214.db2.gz UENMSSHYKJDFLK-LPEHRKFASA-N 0 3 261.274 0.636 20 5 CCBDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905134327 617180094 /nfs/dbraw/zinc/18/00/94/617180094.db2.gz TXMHSWYOBJRZIU-RKDXNWHRSA-N 0 3 250.320 0.209 20 5 CCBDHN CC(C)C(=O)N1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108224 614366828 /nfs/dbraw/zinc/36/68/28/614366828.db2.gz WCLQWEDWKPTUPB-UWVGGRQHSA-N 0 3 272.301 0.842 20 5 CCBDHN CC[C@@H]1CN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H](C)N1 ZINC000826679133 615558677 /nfs/dbraw/zinc/55/86/77/615558677.db2.gz VCXHWNJGUFMINY-GXSJLCMTSA-N 0 3 295.343 0.699 20 5 CCBDHN CN(CCO)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000925015355 616102430 /nfs/dbraw/zinc/10/24/30/616102430.db2.gz JUTFBKVSQIUXGG-QPJJXVBHSA-N 0 3 293.323 0.648 20 5 CCBDHN CN1CCC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819133431 616190758 /nfs/dbraw/zinc/19/07/58/616190758.db2.gz NELIBDUUFPICNG-CHWSQXEVSA-N 0 3 293.323 0.839 20 5 CCBDHN CN1CCOC[C@@]1(CO)CNCc1cccc([N+](=O)[O-])c1 ZINC000922539992 616249357 /nfs/dbraw/zinc/24/93/57/616249357.db2.gz PLRZIQCEENEVTD-AWEZNQCLSA-N 0 3 295.339 0.378 20 5 CCBDHN CN1CCOC[C@]1(CO)CNCc1cccc([N+](=O)[O-])c1 ZINC000922539993 616250479 /nfs/dbraw/zinc/25/04/79/616250479.db2.gz PLRZIQCEENEVTD-CQSZACIVSA-N 0 3 295.339 0.378 20 5 CCBDHN COCCOC1(CNCC[N+](=O)[O-])CCOCC1 ZINC000905275278 616523160 /nfs/dbraw/zinc/52/31/60/616523160.db2.gz WWNPRGUGZZYIRY-UHFFFAOYSA-N 0 3 262.306 0.065 20 5 CCBDHN CO[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000878165880 616652557 /nfs/dbraw/zinc/65/25/57/616652557.db2.gz GUFAQZDXGGTUDX-SNVBAGLBSA-N 0 3 254.290 0.820 20 5 CCBDHN CC(COC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)[N+](=O)[O-] ZINC000813104999 624649745 /nfs/dbraw/zinc/64/97/45/624649745.db2.gz IZACQOPEXJIWHB-VQVTYTSYSA-N 0 3 298.217 0.652 20 5 CCBDHN O=[N+]([O-])CCNCCc1cccc2c1OCCO2 ZINC000905615412 634887062 /nfs/dbraw/zinc/88/70/62/634887062.db2.gz BTQPOGBEKLCJKW-UHFFFAOYSA-N 0 3 252.270 0.867 20 5 CCBDHN CC(COC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)[N+](=O)[O-] ZINC000813108202 641023789 /nfs/dbraw/zinc/02/37/89/641023789.db2.gz VKOUOWYRTDURDQ-ZJUUUORDSA-N 0 3 284.312 0.986 20 5 CCBDHN CC(COC(=O)c1ccc(CS(C)(=O)=O)o1)[N+](=O)[O-] ZINC000813113746 641024497 /nfs/dbraw/zinc/02/44/97/641024497.db2.gz UPXUVKZQPOJTTJ-SSDOTTSWSA-N 0 3 291.281 0.646 20 5 CCBDHN CC(COC(=O)CCNC(=O)Cc1ccccc1)[N+](=O)[O-] ZINC000813112815 641024523 /nfs/dbraw/zinc/02/45/23/641024523.db2.gz LUPALPLAYPRXBK-NSHDSACASA-N 0 3 294.307 0.944 20 5 CCBDHN CC(COC(=O)CCNC(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813114707 641024558 /nfs/dbraw/zinc/02/45/58/641024558.db2.gz VLRMNIWDUBIPIY-MRVPVSSYSA-N 0 3 260.290 0.747 20 5 CCBDHN CC(COC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N+](=O)[O-] ZINC000816091256 641140703 /nfs/dbraw/zinc/14/07/03/641140703.db2.gz PNLOYSIKJAQNGB-BBBLOLIVSA-N 0 3 296.279 0.146 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](O)CO ZINC000873117482 646351223 /nfs/dbraw/zinc/35/12/23/646351223.db2.gz WHBAKHJVBYPQSO-JTQLQIEISA-N 0 3 254.286 0.654 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CCC(C)(C)C1 ZINC000890075414 648274097 /nfs/dbraw/zinc/27/40/97/648274097.db2.gz GOLJOCHYZCVZFA-UHFFFAOYSA-N 0 3 295.343 0.790 20 5 CCBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)CO)CC2)cc1 ZINC000929750372 648786474 /nfs/dbraw/zinc/78/64/74/648786474.db2.gz TWJODFKEPAJASY-LBPRGKRZSA-N 0 3 296.323 0.791 20 5 CCBDHN C[S@@](=O)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158113069 649304210 /nfs/dbraw/zinc/30/42/10/649304210.db2.gz JVFDLKIZXNPQAK-VOJFVSQTSA-N 0 3 272.326 0.596 20 5 CCBDHN O=[N+]([O-])CCN[C@H]1CCCN(CC(F)(F)F)C1 ZINC001120602846 798884881 /nfs/dbraw/zinc/88/48/81/798884881.db2.gz LMGZCGSCPBWRRZ-QMMMGPOBSA-N 0 3 255.240 0.879 20 5 CCBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@H]1CCCN1C ZINC001203068910 799945166 /nfs/dbraw/zinc/94/51/66/799945166.db2.gz XASGRZOJFISELY-SNVBAGLBSA-N 0 3 293.327 0.936 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1CC1 ZINC001154063798 800716034 /nfs/dbraw/zinc/71/60/34/800716034.db2.gz BPZSKUOYMYFWOJ-UHFFFAOYSA-N 0 3 281.316 0.334 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CN(C)CC1(C)C ZINC001156597190 801194199 /nfs/dbraw/zinc/19/41/99/801194199.db2.gz GAQGFBWSTSARBT-SNVBAGLBSA-N 0 3 295.343 0.556 20 5 CCBDHN CN1CCN(C(=N)Nc2cc([N+](=O)[O-])ccn2)CC1 ZINC001157910988 801517245 /nfs/dbraw/zinc/51/72/45/801517245.db2.gz VQRMKWZSTVPDHS-UHFFFAOYSA-N 0 3 264.289 0.584 20 5 CCBDHN O=[N+]([O-])c1cnc(Cl)nc1N1CCNC2(CC2)C1 ZINC001158933763 801724900 /nfs/dbraw/zinc/72/49/00/801724900.db2.gz VLUGSCBQHDASRU-UHFFFAOYSA-N 0 3 269.692 0.980 20 5 CCBDHN C[C@H](Nc1nc(Cl)ncc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159488452 801816684 /nfs/dbraw/zinc/81/66/84/801816684.db2.gz DGEYDKCRKXOMDF-POYBYMJQSA-N 0 3 287.707 0.827 20 5 CCBDHN NCc1ccnn1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001162591427 802372763 /nfs/dbraw/zinc/37/27/63/802372763.db2.gz SWGOIWXZUFWDBI-UHFFFAOYSA-N 0 3 259.229 0.511 20 5 CCBDHN Cc1cc(CN)nn1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001163977706 802643961 /nfs/dbraw/zinc/64/39/61/802643961.db2.gz HHGLTXHRJDBCBU-UHFFFAOYSA-N 0 3 283.675 0.834 20 5 CCBDHN COC(=O)c1n[n-]c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001228312266 805434447 /nfs/dbraw/zinc/43/44/47/805434447.db2.gz REIPDHFKNLMMRT-SSDOTTSWSA-O 0 3 287.296 0.140 20 5 CCBDHN CCc1cnc(=O)[n-]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228416359 805444476 /nfs/dbraw/zinc/44/44/76/805444476.db2.gz QHOBKTYUFRCQCX-SNVBAGLBSA-O 0 3 284.336 0.107 20 5 CCBDHN Cc1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)s1 ZINC001126936768 815323257 /nfs/dbraw/zinc/32/32/57/815323257.db2.gz RFKQZQOZLHXCHG-MWLCHTKSSA-N 0 3 298.368 0.631 20 5 CCBDHN CCc1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001126942834 815352707 /nfs/dbraw/zinc/35/27/07/815352707.db2.gz IEJUDRIQIBJCAR-NXEZZACHSA-N 0 3 298.368 0.577 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000691299826 817843564 /nfs/dbraw/zinc/84/35/64/817843564.db2.gz LZSUDYUXPWLDIP-UHFFFAOYSA-N 0 3 281.312 0.591 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701050441 818890050 /nfs/dbraw/zinc/89/00/50/818890050.db2.gz IATPVRIXMJKFRR-QMMMGPOBSA-N 0 3 299.714 0.966 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N[C@H]2C=CS(=O)(=O)C2)C1 ZINC001168966199 836088577 /nfs/dbraw/zinc/08/85/77/836088577.db2.gz GZOZHUJARWDYBW-UTLUCORTSA-N 0 3 260.315 0.332 20 5 CCBDHN CN1CCN(C2CN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169042770 836113599 /nfs/dbraw/zinc/11/35/99/836113599.db2.gz FKFKVRVIJXGUQW-OLZOCXBDSA-N 0 3 282.388 0.363 20 5 CCBDHN NC(=O)[C@@H]1CCCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026788 836115618 /nfs/dbraw/zinc/11/56/18/836115618.db2.gz OBWRCSLTNSUSKW-DCAQKATOSA-N 0 3 255.318 0.772 20 5 CCBDHN CC(=O)Nc1ccc(-n2nncc2CN)cc1[N+](=O)[O-] ZINC001169312240 836191452 /nfs/dbraw/zinc/19/14/52/836191452.db2.gz TVPRAWVVUJWSDZ-UHFFFAOYSA-N 0 3 276.256 0.593 20 5 CCBDHN COc1ccc(C[C@@H](C)N(C)C[C@H](O)CO)c([N+](=O)[O-])c1 ZINC001170334812 837305451 /nfs/dbraw/zinc/30/54/51/837305451.db2.gz JBYIDPSLELHASG-PWSUYJOCSA-N 0 3 298.339 0.819 20 5 CCBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CNCCO1 ZINC001170558172 838077783 /nfs/dbraw/zinc/07/77/83/838077783.db2.gz MMHLLCBJMIVXBZ-APPZFPTMSA-N 0 3 253.262 0.174 20 5 CCBDHN C[C@H](Nc1nccnc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170561416 838100370 /nfs/dbraw/zinc/10/03/70/838100370.db2.gz FBGQMYATFYPPIK-JGVFFNPUSA-N 0 3 253.262 0.174 20 5 CCBDHN C[N@@H+]1CC[C@@H]1CNC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC001133923415 838780944 /nfs/dbraw/zinc/78/09/44/838780944.db2.gz LDEXOZMZLWTSPN-SECBINFHSA-N 0 3 289.295 0.905 20 5 CCBDHN C[N@H+]1CC[C@@H]1CNC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC001133923415 838780946 /nfs/dbraw/zinc/78/09/46/838780946.db2.gz LDEXOZMZLWTSPN-SECBINFHSA-N 0 3 289.295 0.905 20 5 CCBDHN C[C@]1(CO)C[C@@H](O)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001196285756 846723902 /nfs/dbraw/zinc/72/39/02/846723902.db2.gz RNKKOAIYDWERFA-MGPQQGTHSA-N 0 3 296.323 0.446 20 5 CCBDHN C[C@@](CO)(NCCc1cn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001196910065 846819102 /nfs/dbraw/zinc/81/91/02/846819102.db2.gz ZOTGYKUARGOWLR-ZDUSSCGKSA-N 0 3 291.311 0.753 20 5 CCBDHN CN1CCNC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000686124641 849061439 /nfs/dbraw/zinc/06/14/39/849061439.db2.gz DWABKSGALGHGBL-GFCCVEGCSA-N 0 3 278.312 0.115 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN2CCO[C@H]1C2 ZINC001307794524 900959608 /nfs/dbraw/zinc/95/96/08/900959608.db2.gz XKMYBAGCLIDGFM-STQMWFEESA-N 0 3 295.343 0.196 20 5 CCBDHN CCOC(=O)[C@@H]1CNCCN1Cc1cccnc1[N+](=O)[O-] ZINC001337602197 921274897 /nfs/dbraw/zinc/27/48/97/921274897.db2.gz ORSPROWROKNHQY-NSHDSACASA-N 0 3 294.311 0.327 20 5 CCBDHN Cc1nn(C)c(N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001307216955 906966643 /nfs/dbraw/zinc/96/66/43/906966643.db2.gz DQUFBUZNTDZFKO-VIFPVBQESA-N 0 3 281.316 0.204 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1NC1CCN([C@@H]2CCOC2)CC1 ZINC001335042006 919913078 /nfs/dbraw/zinc/91/30/78/919913078.db2.gz NJTNQHLENJTQMC-LLVKDONJSA-N 0 3 295.343 0.994 20 5 CCBDHN NC(=O)c1ccnc(NC[C@@H]2CSCCN2)c1[N+](=O)[O-] ZINC001472868459 926179032 /nfs/dbraw/zinc/17/90/32/926179032.db2.gz ZVMBRAVDRQDHCS-SSDOTTSWSA-N 0 3 297.340 0.206 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@H]1CO ZINC000090517427 349437440 /nfs/dbraw/zinc/43/74/40/349437440.db2.gz XQFZLIQXQUKHLE-LBPRGKRZSA-N 0 3 281.312 0.603 20 5 CCBDHN O=C(C[C@@H]1CNCCO1)NCc1cccc([N+](=O)[O-])c1 ZINC000091311660 349461417 /nfs/dbraw/zinc/46/14/17/349461417.db2.gz JYHQTVJJMZRGJK-GFCCVEGCSA-N 0 3 279.296 0.590 20 5 CCBDHN C[C@@]1(O)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000124573367 187143813 /nfs/dbraw/zinc/14/38/13/187143813.db2.gz UFKJUNITOSVQSG-LLVKDONJSA-N 0 3 254.290 0.638 20 5 CCBDHN Cc1nn(C)c(NC[C@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000358333001 232081985 /nfs/dbraw/zinc/08/19/85/232081985.db2.gz FDGIERCPGIBZDW-LLVKDONJSA-N 0 3 269.305 0.115 20 5 CCBDHN C[C@@H]1OCC[C@H]1N(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000361580934 232159965 /nfs/dbraw/zinc/15/99/65/232159965.db2.gz DKVKKRLLALMMSN-WDEREUQCSA-N 0 3 284.316 0.263 20 5 CCBDHN Cn1cc(CN[C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])n1 ZINC000602624943 362719394 /nfs/dbraw/zinc/71/93/94/362719394.db2.gz PZIZROFBSXZFGD-ONGXEEELSA-N 0 3 268.317 0.969 20 5 CCBDHN COC(=O)[C@](C)(O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000343948831 137169226 /nfs/dbraw/zinc/16/92/26/137169226.db2.gz DKTVWKCAGUNMHP-CQSZACIVSA-N 0 3 296.323 0.993 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccco2)c1 ZINC000037882871 348215588 /nfs/dbraw/zinc/21/55/88/348215588.db2.gz UXZBFQVNKJJDNO-SNVBAGLBSA-N 0 3 266.257 0.535 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](CO)C1 ZINC000602932531 362893975 /nfs/dbraw/zinc/89/39/75/362893975.db2.gz ZWXIFJSWODMUJF-YPMHNXCESA-N 0 3 295.339 0.849 20 5 CCBDHN CCN1CCC(NC(=O)Cn2nccc2[N+](=O)[O-])CC1 ZINC000047169406 348372231 /nfs/dbraw/zinc/37/22/31/348372231.db2.gz CMKULGRDAMWBTE-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN C[C@H]1CNCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000054375021 348555156 /nfs/dbraw/zinc/55/51/56/348555156.db2.gz RGHYVZMMHZQMOD-VIFPVBQESA-N 0 3 299.352 0.796 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCOCCN(C)C ZINC000537545372 290869521 /nfs/dbraw/zinc/86/95/21/290869521.db2.gz PJYHBBSGCGBRHO-UHFFFAOYSA-N 0 3 296.327 0.606 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCSCC2)c1 ZINC000089981380 349417422 /nfs/dbraw/zinc/41/74/22/349417422.db2.gz JYUOWZLOFIRUDY-NSHDSACASA-N 0 3 286.357 0.591 20 5 CCBDHN CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000124295077 350094463 /nfs/dbraw/zinc/09/44/63/350094463.db2.gz RWFMMTFRZGVADN-ZDUSSCGKSA-N 0 3 292.339 0.239 20 5 CCBDHN O=C(NCCN1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000136018432 350411761 /nfs/dbraw/zinc/41/17/61/350411761.db2.gz VGLMHKHYWYKMIQ-UHFFFAOYSA-N 0 3 267.289 0.534 20 5 CCBDHN CNCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169189200 350836303 /nfs/dbraw/zinc/83/63/03/350836303.db2.gz ACFVYZFHCVPXMV-VIFPVBQESA-N 0 3 279.300 0.222 20 5 CCBDHN CN(C)[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000170855445 350868086 /nfs/dbraw/zinc/86/80/86/350868086.db2.gz SPIVHMLBPYPREW-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN CN(C)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000171728023 350930716 /nfs/dbraw/zinc/93/07/16/350930716.db2.gz CGMQZPRHAUGDGH-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCN(C)C1CC1 ZINC000186798229 351515086 /nfs/dbraw/zinc/51/50/86/351515086.db2.gz HUGVTHWDEGFLTA-UHFFFAOYSA-N 0 3 295.343 0.652 20 5 CCBDHN CCCc1n[n-]c(C(=O)NCC(F)(F)C[NH3+])c1[N+](=O)[O-] ZINC000190250586 351716370 /nfs/dbraw/zinc/71/63/70/351716370.db2.gz JISRNABFIRWJDG-UHFFFAOYSA-N 0 3 291.258 0.594 20 5 CCBDHN CCN1CCC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000194662644 351880135 /nfs/dbraw/zinc/88/01/35/351880135.db2.gz USXMZTUQPQCLCP-JTQLQIEISA-N 0 3 281.316 0.392 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@](C)(O)CN(C)C ZINC000218813336 351961798 /nfs/dbraw/zinc/96/17/98/351961798.db2.gz WJEDMYBYKUFGQC-CQSZACIVSA-N 0 3 295.339 0.946 20 5 CCBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CSCCN2)nc1 ZINC000603419012 363122797 /nfs/dbraw/zinc/12/27/97/363122797.db2.gz LANFUJXLNBXINU-MRVPVSSYSA-N 0 3 254.315 0.529 20 5 CCBDHN C[C@H](O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000249458572 352491760 /nfs/dbraw/zinc/49/17/60/352491760.db2.gz YSVGUKFAGCNNJR-NEPJUHHUSA-N 0 3 297.359 0.178 20 5 CCBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1N(C)C ZINC000270403581 352929740 /nfs/dbraw/zinc/92/97/40/352929740.db2.gz VULDKPZGDXLCKT-DTWKUNHWSA-N 0 3 298.372 0.449 20 5 CCBDHN Cc1n[nH]c(C(=O)NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000604510424 363199506 /nfs/dbraw/zinc/19/95/06/363199506.db2.gz YWYJXLSCFNHHDB-UHFFFAOYSA-N 0 3 293.327 0.983 20 5 CCBDHN CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC000270550675 352946960 /nfs/dbraw/zinc/94/69/60/352946960.db2.gz GXDIJOCMSKNTEZ-CMPLNLGQSA-N 0 3 281.312 0.459 20 5 CCBDHN CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC000270550682 352946974 /nfs/dbraw/zinc/94/69/74/352946974.db2.gz GXDIJOCMSKNTEZ-ZYHUDNBSSA-N 0 3 281.312 0.459 20 5 CCBDHN CCc1n[nH]c(C(=O)N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000270829810 352991962 /nfs/dbraw/zinc/99/19/62/352991962.db2.gz JMDAFZLLHHERGM-UHFFFAOYSA-N 0 3 267.289 0.266 20 5 CCBDHN CCc1[nH]nc(C(=O)N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000270829810 352991964 /nfs/dbraw/zinc/99/19/64/352991964.db2.gz JMDAFZLLHHERGM-UHFFFAOYSA-N 0 3 267.289 0.266 20 5 CCBDHN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272909000 353104952 /nfs/dbraw/zinc/10/49/52/353104952.db2.gz JIGRQLYGRZXLME-MRVPVSSYSA-N 0 3 279.300 0.698 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000152797124 188044561 /nfs/dbraw/zinc/04/45/61/188044561.db2.gz DKXQAJJNBIMJHL-ZDUSSCGKSA-N 0 3 296.327 0.219 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCN[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000277546616 353249508 /nfs/dbraw/zinc/24/95/08/353249508.db2.gz XXBRLMIGRAFQTQ-SVRRBLITSA-N 0 3 267.289 0.449 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCN[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000277546616 353249510 /nfs/dbraw/zinc/24/95/10/353249510.db2.gz XXBRLMIGRAFQTQ-SVRRBLITSA-N 0 3 267.289 0.449 20 5 CCBDHN CN(C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290559957 353734882 /nfs/dbraw/zinc/73/48/82/353734882.db2.gz RRRUNHFDDMBZKN-UHFFFAOYSA-N 0 3 253.262 0.062 20 5 CCBDHN C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N(C)C1CC1 ZINC000290695819 353743045 /nfs/dbraw/zinc/74/30/45/353743045.db2.gz VEJWJJZSARODBD-MRVPVSSYSA-N 0 3 293.327 0.983 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000293421669 353810427 /nfs/dbraw/zinc/81/04/27/353810427.db2.gz NDFDHJAHKUWCKF-WCABBAIRSA-N 0 3 254.290 0.492 20 5 CCBDHN CCN1CCC(N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000330560499 354412566 /nfs/dbraw/zinc/41/25/66/354412566.db2.gz SEVKLXXOURFJEG-UHFFFAOYSA-N 0 3 295.343 0.885 20 5 CCBDHN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O ZINC000361379602 138032727 /nfs/dbraw/zinc/03/27/27/138032727.db2.gz VSWJUMXBSNBHCB-CHWSQXEVSA-N 0 3 266.297 0.829 20 5 CCBDHN CN(C)CCOCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000354080910 356343782 /nfs/dbraw/zinc/34/37/82/356343782.db2.gz YJPAUBATCHFBAC-UHFFFAOYSA-N 0 3 297.315 0.079 20 5 CCBDHN CN(C)C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CCO1 ZINC000609258068 363480393 /nfs/dbraw/zinc/48/03/93/363480393.db2.gz HWZYUBRTIHXAHM-VIFPVBQESA-N 0 3 269.305 0.095 20 5 CCBDHN CN1CCC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000609383138 363492748 /nfs/dbraw/zinc/49/27/48/363492748.db2.gz IYTNKSBEXIPUGJ-SNVBAGLBSA-N 0 3 281.316 0.249 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCN(C3CCC3)CC2)c1 ZINC000610453324 363561311 /nfs/dbraw/zinc/56/13/11/363561311.db2.gz GZWHRSYIRSVMII-UHFFFAOYSA-N 0 3 279.344 0.961 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](CCO)C2)c1 ZINC000610453328 363562073 /nfs/dbraw/zinc/56/20/73/363562073.db2.gz IFTORRZVCGCBEE-NSHDSACASA-N 0 3 268.317 0.886 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CC[C@H](C)C2)n1 ZINC000562372974 291148079 /nfs/dbraw/zinc/14/80/79/291148079.db2.gz PRTZXPMPEWFLHM-JTQLQIEISA-N 0 3 295.343 0.883 20 5 CCBDHN CN(C)C(=O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580793329 359095417 /nfs/dbraw/zinc/09/54/17/359095417.db2.gz BZPZYSMZUSRBJI-LLVKDONJSA-N 0 3 297.311 0.012 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000583691332 359158923 /nfs/dbraw/zinc/15/89/23/359158923.db2.gz LLSITCQZASCYCZ-PWSUYJOCSA-N 0 3 266.301 0.902 20 5 CCBDHN CN(C)CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000586932472 359297932 /nfs/dbraw/zinc/29/79/32/359297932.db2.gz MMEKAYDKTSYQAW-UHFFFAOYSA-N 0 3 293.327 0.759 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000588866155 359344300 /nfs/dbraw/zinc/34/43/00/359344300.db2.gz DZPMYALWZNRBBH-SNVBAGLBSA-N 0 3 297.311 0.012 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000590046991 359419090 /nfs/dbraw/zinc/41/90/90/359419090.db2.gz RNJXYXZREOGFTE-WPRPVWTQSA-N 0 3 264.285 0.699 20 5 CCBDHN CC[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000563064983 291186780 /nfs/dbraw/zinc/18/67/80/291186780.db2.gz YAIWSGKIICBFHO-SNVBAGLBSA-N 0 3 267.285 0.957 20 5 CCBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1=O ZINC000593486260 360096476 /nfs/dbraw/zinc/09/64/76/360096476.db2.gz SEBUPRLPPBSESB-UHFFFAOYSA-N 0 3 293.327 0.200 20 5 CCBDHN CCN1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298327841 200396567 /nfs/dbraw/zinc/39/65/67/200396567.db2.gz VWDKKDDHAJQRSA-UHFFFAOYSA-N 0 3 293.327 0.985 20 5 CCBDHN CN(C)CCN(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000176810305 189010276 /nfs/dbraw/zinc/01/02/76/189010276.db2.gz YQMSEDNQPLEKLT-UHFFFAOYSA-N 0 3 269.305 0.201 20 5 CCBDHN CCN1CCC[C@H]1CN(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000176969394 189017436 /nfs/dbraw/zinc/01/74/36/189017436.db2.gz OCFYABKAPZJPRY-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN Cc1c(NC(=O)CCNC(CO)CO)cccc1[N+](=O)[O-] ZINC000594002208 360231304 /nfs/dbraw/zinc/23/13/04/360231304.db2.gz JHCVRVUVCAATMA-UHFFFAOYSA-N 0 3 297.311 0.175 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CN)C(F)(F)F ZINC000594452124 360316097 /nfs/dbraw/zinc/31/60/97/360316097.db2.gz ZZKXOCRAXJGOGA-QMMMGPOBSA-N 0 3 292.217 0.918 20 5 CCBDHN O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H]1CNCCO1 ZINC000594699044 360361616 /nfs/dbraw/zinc/36/16/16/360361616.db2.gz OYBOQZRNJBFUSR-JTQLQIEISA-N 0 3 290.279 0.293 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000595633664 360603789 /nfs/dbraw/zinc/60/37/89/360603789.db2.gz SCEBCHYMTVMEBP-NTZNESFSSA-N 0 3 280.328 0.884 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(COC2)C1 ZINC000595833477 360671209 /nfs/dbraw/zinc/67/12/09/360671209.db2.gz KLDXFAHBVQKYHI-UHFFFAOYSA-N 0 3 279.296 0.479 20 5 CCBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000596097201 360793749 /nfs/dbraw/zinc/79/37/49/360793749.db2.gz GDFYCYBKBFUNFZ-UHFFFAOYSA-N 0 3 277.280 0.409 20 5 CCBDHN CN(C)CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CC1 ZINC000563560397 291238203 /nfs/dbraw/zinc/23/82/03/291238203.db2.gz VDCJQMPTEAEVIP-UHFFFAOYSA-N 0 3 267.289 0.484 20 5 CCBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C2 ZINC000597711887 361206013 /nfs/dbraw/zinc/20/60/13/361206013.db2.gz WSWJIHUCSYYPDE-CYBMUJFWSA-N 0 3 293.327 0.876 20 5 CCBDHN CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598039787 361321340 /nfs/dbraw/zinc/32/13/40/361321340.db2.gz NIBKGUWJGLECHC-VIFPVBQESA-N 0 3 281.316 0.874 20 5 CCBDHN CCCN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000598342328 361392326 /nfs/dbraw/zinc/39/23/26/361392326.db2.gz MDJSQUDHFRQTDL-SECBINFHSA-N 0 3 281.316 0.840 20 5 CCBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCOC[C@H]2O)c1 ZINC000599012465 361555932 /nfs/dbraw/zinc/55/59/32/361555932.db2.gz QZVAQFMGCYWFMR-VXGBXAGGSA-N 0 3 252.270 0.834 20 5 CCBDHN CN1CCN(CC2CN(c3ccncc3[N+](=O)[O-])C2)CC1 ZINC000599104824 361574001 /nfs/dbraw/zinc/57/40/01/361574001.db2.gz GCPAAFODPUGJDH-UHFFFAOYSA-N 0 3 291.355 0.673 20 5 CCBDHN C[C@H]1CCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000565191632 291355624 /nfs/dbraw/zinc/35/56/24/291355624.db2.gz YCQZQURYSQTMTP-VIFPVBQESA-N 0 3 293.327 0.474 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000330908257 203377317 /nfs/dbraw/zinc/37/73/17/203377317.db2.gz OGYFSMJKPTXWPY-NXEZZACHSA-N 0 3 281.316 0.390 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000568512715 291599981 /nfs/dbraw/zinc/59/99/81/291599981.db2.gz FRQAKYAPBQPTHN-JGVFFNPUSA-N 0 3 267.289 0.151 20 5 CCBDHN COc1ccc(CNC(=O)[C@@H](C)N)cc1[N+](=O)[O-] ZINC000261685556 190042934 /nfs/dbraw/zinc/04/29/34/190042934.db2.gz BQNVXLGJBUSLAI-SSDOTTSWSA-N 0 3 253.258 0.567 20 5 CCBDHN CO[C@@H](CN)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423854182 249014423 /nfs/dbraw/zinc/01/44/23/249014423.db2.gz VFRSJAUMUZHOOA-JTQLQIEISA-N 0 3 287.703 0.838 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000268090551 190375983 /nfs/dbraw/zinc/37/59/83/190375983.db2.gz GBRAHPBDTHGVRK-VIFPVBQESA-N 0 3 281.316 0.793 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000268090551 190375984 /nfs/dbraw/zinc/37/59/84/190375984.db2.gz GBRAHPBDTHGVRK-VIFPVBQESA-N 0 3 281.316 0.793 20 5 CCBDHN C[C@H](O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000249208471 285105763 /nfs/dbraw/zinc/10/57/63/285105763.db2.gz CDBUABOGVNNRCS-RYUDHWBXSA-N 0 3 297.359 0.178 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](O)C1 ZINC000181236903 285164662 /nfs/dbraw/zinc/16/46/62/285164662.db2.gz LJVHSMZCIHFLDE-QWRGUYRKSA-N 0 3 282.296 0.401 20 5 CCBDHN C[C@H](O)[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305196140 285170737 /nfs/dbraw/zinc/17/07/37/285170737.db2.gz TZIKRKRNIZLHEJ-GVXVVHGQSA-N 0 3 298.343 0.245 20 5 CCBDHN CN(CCN(C)C1CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000186721534 388848452 /nfs/dbraw/zinc/84/84/52/388848452.db2.gz XTHVKMCMTULKSP-UHFFFAOYSA-N 0 3 281.316 0.495 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000160478817 389389754 /nfs/dbraw/zinc/38/97/54/389389754.db2.gz CHLRGALZQNTRFZ-VIFPVBQESA-N 0 3 281.316 0.542 20 5 CCBDHN CC1=CCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000347239600 389349275 /nfs/dbraw/zinc/34/92/75/389349275.db2.gz DSWWLQSDUABNCK-UHFFFAOYSA-N 0 3 279.300 0.700 20 5 CCBDHN Cc1nccn1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270681124 389435198 /nfs/dbraw/zinc/43/51/98/389435198.db2.gz FKSKLLUJYFDNJU-UHFFFAOYSA-N 0 3 278.272 0.643 20 5 CCBDHN C[C@H]1COCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000374348103 389568089 /nfs/dbraw/zinc/56/80/89/389568089.db2.gz FFHZCQMWMQZWPQ-SNVBAGLBSA-N 0 3 254.290 0.760 20 5 CCBDHN CN1CCNC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000414964450 389647599 /nfs/dbraw/zinc/64/75/99/389647599.db2.gz MFJXEBOQTDHOKA-JTQLQIEISA-N 0 3 270.358 0.650 20 5 CCBDHN Cc1cc([N+](=O)[O-])cn(C[C@@H](O)CN(C)C2CC2)c1=O ZINC000414141504 389602670 /nfs/dbraw/zinc/60/26/70/389602670.db2.gz JRFLPNYNIMQGGL-LBPRGKRZSA-N 0 3 281.312 0.520 20 5 CCBDHN CN1CC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000416493855 389748616 /nfs/dbraw/zinc/74/86/16/389748616.db2.gz GTJFRLYTGZWVPN-JTQLQIEISA-N 0 3 299.352 0.825 20 5 CCBDHN C[C@H]1CCN(C)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000354087379 389859317 /nfs/dbraw/zinc/85/93/17/389859317.db2.gz ZUCRDCMZEDVBGZ-QMMMGPOBSA-N 0 3 266.305 0.328 20 5 CCBDHN Nc1nc(NC[C@@H]2CCCCN2C2CC2)ncc1[N+](=O)[O-] ZINC000433818420 389919569 /nfs/dbraw/zinc/91/95/69/389919569.db2.gz FBIOHWJZYBNPMO-JTQLQIEISA-N 0 3 292.343 0.648 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCNC(C)(C)C2)n1 ZINC000420272719 389976544 /nfs/dbraw/zinc/97/65/44/389976544.db2.gz INPNKYJLWJHAPT-UHFFFAOYSA-N 0 3 294.311 0.965 20 5 CCBDHN CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000439480387 390021556 /nfs/dbraw/zinc/02/15/56/390021556.db2.gz CVRKDFCZSCIDKW-CHWSQXEVSA-N 0 3 298.343 0.653 20 5 CCBDHN CN(C)CCOCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000537545786 390178620 /nfs/dbraw/zinc/17/86/20/390178620.db2.gz GNJFHNZOWVPEBQ-UHFFFAOYSA-N 0 3 281.312 0.903 20 5 CCBDHN COC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000496077996 390295587 /nfs/dbraw/zinc/29/55/87/390295587.db2.gz YUDZCOJPJSTPIQ-SFYZADRCSA-N 0 3 262.262 0.575 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000572539867 390788617 /nfs/dbraw/zinc/78/86/17/390788617.db2.gz OEJPXAOMBMCQBL-MRVPVSSYSA-N 0 3 279.300 0.226 20 5 CCBDHN CC[C@H]1CN(C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572562052 390789693 /nfs/dbraw/zinc/78/96/93/390789693.db2.gz IRUXSHNQNZAECW-WCQYABFASA-N 0 3 297.359 0.178 20 5 CCBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C1=CCN(C)CC1 ZINC000356731326 144028352 /nfs/dbraw/zinc/02/83/52/144028352.db2.gz OYMQPGKMPAWJKY-SECBINFHSA-N 0 3 293.327 0.709 20 5 CCBDHN C[C@@H]1[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000357030552 144052244 /nfs/dbraw/zinc/05/22/44/144052244.db2.gz FDACYMXLTGHBCZ-MNOVXSKESA-N 0 3 267.333 0.816 20 5 CCBDHN Cc1cccc(C(=O)NC[C@@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000358051664 144145920 /nfs/dbraw/zinc/14/59/20/144145920.db2.gz RKBFAQZHPCGIDV-AWEZNQCLSA-N 0 3 293.323 0.700 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000358055343 144146733 /nfs/dbraw/zinc/14/67/33/144146733.db2.gz YQDZMFRDQUJLIQ-AWEZNQCLSA-N 0 3 293.323 0.320 20 5 CCBDHN CNCCN(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261577968 277023990 /nfs/dbraw/zinc/02/39/90/277023990.db2.gz DAKUFSSFEAHKTH-UHFFFAOYSA-N 0 3 291.304 0.574 20 5 CCBDHN CN1CC[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 ZINC000293929366 277160533 /nfs/dbraw/zinc/16/05/33/277160533.db2.gz QFWXXCKREQQJBP-GFCCVEGCSA-N 0 3 279.300 0.486 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCN1C ZINC000354629443 279124401 /nfs/dbraw/zinc/12/44/01/279124401.db2.gz XJOZLLZAZMHSRS-HTQZYQBOSA-N 0 3 267.289 0.530 20 5 CCBDHN O=[N+]([O-])c1cnc(N[C@@H](CO)CN2CCCCC2)nc1 ZINC000295622846 280381640 /nfs/dbraw/zinc/38/16/40/280381640.db2.gz ATTRVIZBQSYZCY-SNVBAGLBSA-N 0 3 281.316 0.644 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)c1C ZINC000123223381 301860393 /nfs/dbraw/zinc/86/03/93/301860393.db2.gz FWKXKEACHOZZHV-SNVBAGLBSA-N 0 3 299.352 0.852 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCNC[C@H]2C(F)F)n1 ZINC000574917295 327639144 /nfs/dbraw/zinc/63/91/44/327639144.db2.gz FEVLFDOQGDORSP-QMMMGPOBSA-N 0 3 275.259 0.330 20 5 CCBDHN CC[C@H](N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000576871308 335257904 /nfs/dbraw/zinc/25/79/04/335257904.db2.gz NPGOWKGREVLJIN-JTQLQIEISA-N 0 3 281.316 0.692 20 5 CCBDHN CCOC[C@@H](O)CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000383811823 336118297 /nfs/dbraw/zinc/11/82/97/336118297.db2.gz FITHTPGSNPWEOL-LBPRGKRZSA-N 0 3 284.312 0.961 20 5 CCBDHN COC(=O)COc1ccc(CNC[C@H](C)O)cc1[N+](=O)[O-] ZINC000353178147 523223622 /nfs/dbraw/zinc/22/36/22/523223622.db2.gz AIYYUIIAZQSMRZ-VIFPVBQESA-N 0 3 298.295 0.617 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000157366345 526552031 /nfs/dbraw/zinc/55/20/31/526552031.db2.gz HAWJKRNPBJCPFU-VIFPVBQESA-N 0 3 283.259 0.452 20 5 CCBDHN CC1(C)CCCN1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000450953037 528943027 /nfs/dbraw/zinc/94/30/27/528943027.db2.gz WLMCQSJBTFAZQD-UHFFFAOYSA-N 0 3 280.332 0.506 20 5 CCBDHN CN(C)CCN1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000358701030 535874499 /nfs/dbraw/zinc/87/44/99/535874499.db2.gz XXZANRLULJASTR-UHFFFAOYSA-N 0 3 296.375 0.766 20 5 CCBDHN COC(=O)C[C@]1(NCCn2cc([N+](=O)[O-])cn2)CCOC1 ZINC000362264162 536363499 /nfs/dbraw/zinc/36/34/99/536363499.db2.gz ZUXRGRJQTZSVOW-GFCCVEGCSA-N 0 3 298.299 0.103 20 5 CCBDHN COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345706375 536793666 /nfs/dbraw/zinc/79/36/66/536793666.db2.gz HMKAMHNJUFQXBF-UHFFFAOYSA-N 0 3 298.343 0.631 20 5 CCBDHN CC[C@H](CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000794914599 581390579 /nfs/dbraw/zinc/39/05/79/581390579.db2.gz CVTAICHLCXWDMH-SNVBAGLBSA-N 0 3 267.285 0.554 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000768765280 581654859 /nfs/dbraw/zinc/65/48/59/581654859.db2.gz CJNQUQNWELIUSH-WQAKAFBOSA-N 0 3 266.297 0.941 20 5 CCBDHN CC(C)(C)N1CC[C@H]1COC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000845735785 613942709 /nfs/dbraw/zinc/94/27/09/613942709.db2.gz OUYSDHVJIHDROE-VIFPVBQESA-N 0 3 297.315 0.602 20 5 CCBDHN CC(C)C(=O)N1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108223 614361038 /nfs/dbraw/zinc/36/10/38/614361038.db2.gz WCLQWEDWKPTUPB-NXEZZACHSA-N 0 3 272.301 0.842 20 5 CCBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC2CC2)C1 ZINC000950055591 614651202 /nfs/dbraw/zinc/65/12/02/614651202.db2.gz FMROPDRBJZZVEH-VXGBXAGGSA-N 0 3 267.329 0.594 20 5 CCBDHN CN(C)CCN(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826772136 615891038 /nfs/dbraw/zinc/89/10/38/615891038.db2.gz YRSNXSZBQHIXCW-LBPRGKRZSA-N 0 3 281.312 0.648 20 5 CCBDHN CN(C)C[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000876667368 615940994 /nfs/dbraw/zinc/94/09/94/615940994.db2.gz XUKOVVAUENAHQE-JTQLQIEISA-N 0 3 278.312 0.373 20 5 CCBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)CO ZINC000930354985 616124903 /nfs/dbraw/zinc/12/49/03/616124903.db2.gz UCKAHXZPUFVANY-GFCCVEGCSA-N 0 3 254.286 0.422 20 5 CCBDHN CN1CCN(CCCn2ccnc2[N+](=O)[O-])CC1 ZINC000918378145 616241314 /nfs/dbraw/zinc/24/13/14/616241314.db2.gz NZTMDAPOQFOPEJ-UHFFFAOYSA-N 0 3 253.306 0.429 20 5 CCBDHN CN1CCN([C@H](CNCC[N+](=O)[O-])c2cccs2)CC1 ZINC000899859628 616246970 /nfs/dbraw/zinc/24/69/70/616246970.db2.gz LODBHLHHRWITJS-GFCCVEGCSA-N 0 3 298.412 0.903 20 5 CCBDHN CO[C@H]1CCn2cc(C(=O)OCC(C)[N+](=O)[O-])nc2C1 ZINC000870377281 617107415 /nfs/dbraw/zinc/10/74/15/617107415.db2.gz PMTSBCLTMWPPSZ-BDAKNGLRSA-N 0 3 283.284 0.666 20 5 CCBDHN CC(COC(=O)c1c[nH]nc1-c1cnn(C)c1)[N+](=O)[O-] ZINC000813102674 624648924 /nfs/dbraw/zinc/64/89/24/624648924.db2.gz IPAFNYZVCDJAMF-SSDOTTSWSA-N 0 3 279.256 0.632 20 5 CCBDHN CC(COC(=O)CO[C@H](C)c1nccn1C)[N+](=O)[O-] ZINC000813115373 624675569 /nfs/dbraw/zinc/67/55/69/624675569.db2.gz QDWOQRNZFCQMGZ-RKDXNWHRSA-N 0 3 271.273 0.706 20 5 CCBDHN O=C(CCN1CC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000934013185 625002151 /nfs/dbraw/zinc/00/21/51/625002151.db2.gz GCBRGNDJYZLEBM-JTQLQIEISA-N 0 3 279.296 0.990 20 5 CCBDHN O=C(N1CCCC1)N1CCC[C@H](NCC[N+](=O)[O-])C1 ZINC000905255144 634828029 /nfs/dbraw/zinc/82/80/29/634828029.db2.gz JEFYUGFBKAUAQZ-NSHDSACASA-N 0 3 270.333 0.533 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C ZINC000928450153 631855630 /nfs/dbraw/zinc/85/56/30/631855630.db2.gz CIDORULSMRWGDT-YUMQZZPRSA-N 0 3 252.274 0.745 20 5 CCBDHN Cc1ccc(C(=O)NCCN(C)CCO)cc1[N+](=O)[O-] ZINC000899726460 633873727 /nfs/dbraw/zinc/87/37/27/633873727.db2.gz NQOQJDFWQBJGTH-UHFFFAOYSA-N 0 3 281.312 0.557 20 5 CCBDHN COC[C@@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229172266 637101676 /nfs/dbraw/zinc/10/16/76/637101676.db2.gz GWNNARMPAMFTGB-PWSUYJOCSA-N 0 3 270.285 0.225 20 5 CCBDHN CC(COC(=O)CCCN1C(=O)CCC1=O)[N+](=O)[O-] ZINC000813102948 641022064 /nfs/dbraw/zinc/02/20/64/641022064.db2.gz WQMXIFRKNUHFCN-QMMMGPOBSA-N 0 3 272.257 0.124 20 5 CCBDHN CC(COC(=O)CNC(=O)Cc1cccc(F)c1)[N+](=O)[O-] ZINC000813106660 641023161 /nfs/dbraw/zinc/02/31/61/641023161.db2.gz FQRWCWPIFAPGQU-SECBINFHSA-N 0 3 298.270 0.693 20 5 CCBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)[N+](=O)[O-] ZINC000816091734 641140903 /nfs/dbraw/zinc/14/09/03/641140903.db2.gz GTVQOYLFGDLVTD-RQJHMYQMSA-N 0 3 298.217 0.748 20 5 CCBDHN C[C@H](C[S@@](C)=O)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819224561 641390448 /nfs/dbraw/zinc/39/04/48/641390448.db2.gz IMQWQMNJEQFLDZ-DPXNYUHVSA-N 0 3 286.353 0.985 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000830111224 642232338 /nfs/dbraw/zinc/23/23/38/642232338.db2.gz MADMAGNEFJXIEF-WPRPVWTQSA-N 0 3 281.316 0.309 20 5 CCBDHN CC(COC(=O)Cn1nnnc1-c1ccsc1)[N+](=O)[O-] ZINC000842801801 642955992 /nfs/dbraw/zinc/95/59/92/642955992.db2.gz MISDWTWYJHETTK-ZETCQYMHSA-N 0 3 297.296 0.610 20 5 CCBDHN Cc1nn(CN(C)CC2CN(C)C2)cc1[N+](=O)[O-] ZINC000853553266 644119323 /nfs/dbraw/zinc/11/93/23/644119323.db2.gz MBPKBEKANWLLNN-UHFFFAOYSA-N 0 3 253.306 0.551 20 5 CCBDHN O=[N+]([O-])c1cnc(N2C[C@@H]3CCCN3C[C@@H]2CO)nc1 ZINC000872757580 646319169 /nfs/dbraw/zinc/31/91/69/646319169.db2.gz CXEBZWQAKZQIHM-GXSJLCMTSA-N 0 3 279.300 0.030 20 5 CCBDHN COc1nc(-n2nc(CN)cc2C)ncc1[N+](=O)[O-] ZINC001156038505 801098859 /nfs/dbraw/zinc/09/88/59/801098859.db2.gz VOIZUWOHLAPLRR-UHFFFAOYSA-N 0 3 264.245 0.346 20 5 CCBDHN Cc1cc(CN)nn1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001156043224 801100301 /nfs/dbraw/zinc/10/03/01/801100301.db2.gz YGXCGSRLMAUYAW-UHFFFAOYSA-N 0 3 283.675 0.834 20 5 CCBDHN COc1nc(N[C@@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159496003 801820750 /nfs/dbraw/zinc/82/07/50/801820750.db2.gz HSZQQTBZADZFRR-WPRPVWTQSA-N 0 3 282.300 0.787 20 5 CCBDHN COc1nc(SC)nc(-n2cnc(CN)c2)c1[N+](=O)[O-] ZINC001162297137 802302374 /nfs/dbraw/zinc/30/23/74/802302374.db2.gz UVXZTURWUNHQSI-UHFFFAOYSA-N 0 3 296.312 0.760 20 5 CCBDHN O=[N+]([O-])c1cc2c(cc1N[C@H]1C=CS(=O)(=O)C1)CNC2 ZINC001164016195 802652867 /nfs/dbraw/zinc/65/28/67/802652867.db2.gz PNYOLQWOEKOVGM-JTQLQIEISA-N 0 3 295.320 0.921 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC001215997966 803831406 /nfs/dbraw/zinc/83/14/06/803831406.db2.gz OOQFHUDVNBOMPF-RKDXNWHRSA-N 0 3 279.300 0.626 20 5 CCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(N)=O ZINC001254531534 808256271 /nfs/dbraw/zinc/25/62/71/808256271.db2.gz GZEMPTJMRCUOBN-BDAKNGLRSA-N 0 3 251.286 0.989 20 5 CCBDHN CN1CC[C@@H](N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001254580761 808263108 /nfs/dbraw/zinc/26/31/08/808263108.db2.gz FPAHGPOEHLHBMM-WCQYABFASA-N 0 3 275.308 0.882 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700628029 818821654 /nfs/dbraw/zinc/82/16/54/818821654.db2.gz YQESLWMAVSLDJU-SECBINFHSA-N 0 3 299.714 0.966 20 5 CCBDHN Cc1cnc(N(C)S(=O)(=O)CCN)c([N+](=O)[O-])c1 ZINC001156232244 836043902 /nfs/dbraw/zinc/04/39/02/836043902.db2.gz SXELSNWRSUOHHE-UHFFFAOYSA-N 0 3 274.302 0.023 20 5 CCBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCC3(C2)OCCO3)C1 ZINC001169027490 836105142 /nfs/dbraw/zinc/10/51/42/836105142.db2.gz QHKYSRHRTDILPV-WDEREUQCSA-N 0 3 256.302 0.881 20 5 CCBDHN COC(=O)CN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169032961 836108509 /nfs/dbraw/zinc/10/85/09/836108509.db2.gz AGGFTLMYRKRZEB-NWDGAFQWSA-N 0 3 285.344 0.222 20 5 CCBDHN CN1CCCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1=O ZINC001169038287 836112591 /nfs/dbraw/zinc/11/25/91/836112591.db2.gz XUNHWPJJPZHMRH-QWRGUYRKSA-N 0 3 255.318 0.596 20 5 CCBDHN C[C@H](Nc1cc([N+](=O)[O-])c(=O)n(C)c1)[C@@H]1CNCCO1 ZINC001170566457 838126151 /nfs/dbraw/zinc/12/61/51/838126151.db2.gz GCKLIKLSFCUSLY-KWQFWETISA-N 0 3 282.300 0.082 20 5 CCBDHN COc1cnc(-n2nncc2CN)c([N+](=O)[O-])c1 ZINC001158422537 838150457 /nfs/dbraw/zinc/15/04/57/838150457.db2.gz AANHBBZZOZAXRG-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN C[C@H](Nc1cnc(F)c([N+](=O)[O-])c1)[C@@H]1CNCCO1 ZINC001170575866 838163837 /nfs/dbraw/zinc/16/38/37/838163837.db2.gz XNJFVIGRWXAKEW-XVKPBYJWSA-N 0 3 270.264 0.918 20 5 CCBDHN CC(=O)N1CC(Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001171077634 839846039 /nfs/dbraw/zinc/84/60/39/839846039.db2.gz LLZRGQNVCJEFEB-UHFFFAOYSA-N 0 3 276.296 0.841 20 5 CCBDHN CC(COC(=O)c1coc(S(C)(=O)=O)c1)[N+](=O)[O-] ZINC000845577597 840062530 /nfs/dbraw/zinc/06/25/30/840062530.db2.gz XLPAZDRJLLSUNB-LURJTMIESA-N 0 3 277.254 0.505 20 5 CCBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccns1 ZINC000716019059 841429954 /nfs/dbraw/zinc/42/99/54/841429954.db2.gz DICNFBOOSDVSJL-WPRPVWTQSA-N 0 3 297.340 0.960 20 5 CCBDHN CC(C)CCN1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001276050980 848910224 /nfs/dbraw/zinc/91/02/24/848910224.db2.gz UTNJLXWVDUZULD-VXGBXAGGSA-N 0 3 299.371 0.251 20 5 CCBDHN Cc1c(NC(=O)[C@@H]2CNCCN2C)cccc1[N+](=O)[O-] ZINC000686126211 849062769 /nfs/dbraw/zinc/06/27/69/849062769.db2.gz PPUSPPULPIQIEK-LBPRGKRZSA-N 0 3 278.312 0.745 20 5 CCBDHN CC(COC(=O)c1ccc2c(c1)N(C)C(=O)CO2)[N+](=O)[O-] ZINC000860777760 900747907 /nfs/dbraw/zinc/74/79/07/900747907.db2.gz VNXFIAAPYXSWDT-MRVPVSSYSA-N 0 3 294.263 0.864 20 5 CCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H](CO)[C@H](CO)C2)c1 ZINC001331627926 917461894 /nfs/dbraw/zinc/46/18/94/917461894.db2.gz FODGUUJJSKTRJZ-SGMGOOAPSA-N 0 3 296.323 0.161 20 5 CCBDHN C[C@H](NC(=O)[C@@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC001339922616 921881674 /nfs/dbraw/zinc/88/16/74/921881674.db2.gz JQXHYFLLNOMBMK-GWCFXTLKSA-N 0 3 292.339 0.676 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC001341748786 922655369 /nfs/dbraw/zinc/65/53/69/922655369.db2.gz UEVGRPFIMBQILS-BDAKNGLRSA-N 0 3 281.316 0.309 20 5 CCBDHN C[C@@H](NC(=O)[C@H]1CNCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC001342517720 922989978 /nfs/dbraw/zinc/98/99/78/922989978.db2.gz IULJWJXPJPTHPE-ZWNOBZJWSA-N 0 3 292.339 0.676 20 5 CCBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001344000249 923526720 /nfs/dbraw/zinc/52/67/20/923526720.db2.gz PCYCPOUTRGEWLA-JTQLQIEISA-N 0 3 277.280 0.456 20 5 CCBDHN COCc1nn(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC001344996696 923755389 /nfs/dbraw/zinc/75/53/89/923755389.db2.gz IOBLRXKPGWIIQZ-SSDOTTSWSA-N 0 3 257.246 0.389 20 5 CCBDHN Cn1ccnc1[C@@H]1C[C@@H](NCC[N+](=O)[O-])CCO1 ZINC001356101941 926344643 /nfs/dbraw/zinc/34/46/43/926344643.db2.gz IUIQKPKCLBHJIB-UWVGGRQHSA-N 0 3 254.290 0.507 20 5 CCBDHN CN1CCNC[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001357303014 926507780 /nfs/dbraw/zinc/50/77/80/926507780.db2.gz NKQFNZWGYJXVFX-ZDUSSCGKSA-N 0 3 290.323 0.341 20 5 CCBDHN CCCc1n[n-]c(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000337633213 214190033 /nfs/dbraw/zinc/19/00/33/214190033.db2.gz WZCOQDKNFQOCQU-UHFFFAOYSA-N 0 3 281.316 0.706 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](O)C2)c1 ZINC000114486440 349834403 /nfs/dbraw/zinc/83/44/03/349834403.db2.gz KDMMQNUZPOQUKW-NEPJUHHUSA-N 0 3 282.296 0.401 20 5 CCBDHN CCN[C@@H](C)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602505775 362648660 /nfs/dbraw/zinc/64/86/60/362648660.db2.gz ZIXREZKCGPRZJQ-VIFPVBQESA-N 0 3 278.312 0.873 20 5 CCBDHN CCN[C@H](C)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602505774 362649065 /nfs/dbraw/zinc/64/90/65/362649065.db2.gz ZIXREZKCGPRZJQ-SECBINFHSA-N 0 3 278.312 0.873 20 5 CCBDHN C[C@@H]1COCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602817601 362817291 /nfs/dbraw/zinc/81/72/91/362817291.db2.gz CEFTVVUURUBVER-SCZZXKLOSA-N 0 3 254.290 0.843 20 5 CCBDHN C[C@@H]1C[C@@H](O)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343711224 137151520 /nfs/dbraw/zinc/15/15/20/137151520.db2.gz FJXXKCHQUVKFQM-IJLUTSLNSA-N 0 3 296.323 0.790 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC([NH3+])C2)cc1C ZINC000036265756 348161780 /nfs/dbraw/zinc/16/17/80/348161780.db2.gz QQLCGFCSBJMVNZ-UHFFFAOYSA-N 0 3 299.352 0.980 20 5 CCBDHN CO[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@@](C)(CO)C1 ZINC000602963786 362911265 /nfs/dbraw/zinc/91/12/65/362911265.db2.gz IKRMBJVPBQZHLB-ZYHUDNBSSA-N 0 3 284.316 0.263 20 5 CCBDHN Cc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000051575949 348491081 /nfs/dbraw/zinc/49/10/81/348491081.db2.gz WLMFQBKUBANDGC-ZDUSSCGKSA-N 0 3 291.311 0.645 20 5 CCBDHN COCCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000054356202 348554876 /nfs/dbraw/zinc/55/48/76/348554876.db2.gz PKSGRXIXHHTIAY-GFCCVEGCSA-N 0 3 284.312 0.913 20 5 CCBDHN CN(CCNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000066053524 348732000 /nfs/dbraw/zinc/73/20/00/348732000.db2.gz PLEHOTNCMZEVRM-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000069533846 348851260 /nfs/dbraw/zinc/85/12/60/348851260.db2.gz ASUNKEGTGUGUJL-SSDOTTSWSA-N 0 3 281.316 0.839 20 5 CCBDHN CC[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000123639082 350079172 /nfs/dbraw/zinc/07/91/72/350079172.db2.gz BELIDLVXYIMZQP-UHFFFAOYSA-N 0 3 279.343 0.544 20 5 CCBDHN O=C(C[C@@H]1CNCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000091299278 180126253 /nfs/dbraw/zinc/12/62/53/180126253.db2.gz UEQQFBRRJVHRFK-LLVKDONJSA-N 0 3 265.269 0.912 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CNCCO2)n1 ZINC000134272790 350359367 /nfs/dbraw/zinc/35/93/67/350359367.db2.gz DINCUJFYMYVHCY-VIFPVBQESA-N 0 3 252.274 0.699 20 5 CCBDHN C[C@H](NCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173411650 351039049 /nfs/dbraw/zinc/03/90/49/351039049.db2.gz XHKPDYUZBWCZFL-VIFPVBQESA-N 0 3 292.295 0.797 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@](C)(O)C1 ZINC000235826089 352188524 /nfs/dbraw/zinc/18/85/24/352188524.db2.gz PTAPYEGGOGQUII-LLVKDONJSA-N 0 3 254.290 0.556 20 5 CCBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CNC1 ZINC000236982660 352233206 /nfs/dbraw/zinc/23/32/06/352233206.db2.gz UWUJHZJNGHIEAA-UHFFFAOYSA-N 0 3 285.325 0.407 20 5 CCBDHN O=C(CNC[C@@H]1CCCO1)NCc1cccc([N+](=O)[O-])c1 ZINC000237902056 352288144 /nfs/dbraw/zinc/28/81/44/352288144.db2.gz LSSALCQLMZUIOP-ZDUSSCGKSA-N 0 3 293.323 0.980 20 5 CCBDHN CO[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247709331 352424779 /nfs/dbraw/zinc/42/47/79/352424779.db2.gz ZSTSZTWPNQAKSC-VXGBXAGGSA-N 0 3 284.316 0.263 20 5 CCBDHN C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N(C)C ZINC000272355968 353055551 /nfs/dbraw/zinc/05/55/51/353055551.db2.gz BLNHMBCTLXYGDI-MRVPVSSYSA-N 0 3 266.301 0.857 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCN(C)C1 ZINC000604532359 363202302 /nfs/dbraw/zinc/20/23/02/363202302.db2.gz CKEIEQYZURQNSH-NSHDSACASA-N 0 3 295.343 0.700 20 5 CCBDHN CC(C)N1CCC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000274517867 353137348 /nfs/dbraw/zinc/13/73/48/353137348.db2.gz RQEAQGLAIFBUII-NSHDSACASA-N 0 3 295.343 0.780 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000152830213 188046743 /nfs/dbraw/zinc/04/67/43/188046743.db2.gz YFVKWYDOQPJVDO-CYBMUJFWSA-N 0 3 299.302 0.776 20 5 CCBDHN COC(=O)c1cc(NC(=O)[C@H](C)N)cc([N+](=O)[O-])c1 ZINC000153824337 188106545 /nfs/dbraw/zinc/10/65/45/188106545.db2.gz ILJXYPPFHGRMDK-LURJTMIESA-N 0 3 267.241 0.667 20 5 CCBDHN CNC(=O)[C@@]1(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000280703373 353377240 /nfs/dbraw/zinc/37/72/40/353377240.db2.gz HDMHOKDPNDORIO-LBPRGKRZSA-N 0 3 281.316 0.249 20 5 CCBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000299537599 354025822 /nfs/dbraw/zinc/02/58/22/354025822.db2.gz GNBMFNRPAIIMNI-QMMMGPOBSA-N 0 3 267.289 0.450 20 5 CCBDHN CN1CCN(CCCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000339115043 355489658 /nfs/dbraw/zinc/48/96/58/355489658.db2.gz JTDDEGIQJUURET-UHFFFAOYSA-N 0 3 280.328 0.394 20 5 CCBDHN CC1(C)[C@H](O)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000361401422 138035463 /nfs/dbraw/zinc/03/54/63/138035463.db2.gz BCQHLPUPPBIYHA-LLVKDONJSA-N 0 3 281.312 0.602 20 5 CCBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C2CC2)C1 ZINC000354242247 356373427 /nfs/dbraw/zinc/37/34/27/356373427.db2.gz YUQOZTIKIUVQRM-QMMMGPOBSA-N 0 3 291.311 0.737 20 5 CCBDHN CCN1CCN(CCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273624028 192234711 /nfs/dbraw/zinc/23/47/11/192234711.db2.gz PBFSQUMEXXYTHE-UHFFFAOYSA-N 0 3 280.332 0.434 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCCC3)C2)n1 ZINC000362670586 138068950 /nfs/dbraw/zinc/06/89/50/138068950.db2.gz VEBWVGITMNMGQB-JTQLQIEISA-N 0 3 293.327 0.639 20 5 CCBDHN CC[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1O ZINC000400031717 357785599 /nfs/dbraw/zinc/78/55/99/357785599.db2.gz IXPIQNARRUIIJV-MNOVXSKESA-N 0 3 268.317 0.802 20 5 CCBDHN CN1CCC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000561409828 291129131 /nfs/dbraw/zinc/12/91/31/291129131.db2.gz LZAHEVICUDLROX-VIFPVBQESA-N 0 3 293.327 0.842 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H]3CCC[C@H]32)c1 ZINC000610762763 363610516 /nfs/dbraw/zinc/61/05/16/363610516.db2.gz SIPCBEVESLRCRS-YUSALJHKSA-N 0 3 266.301 0.637 20 5 CCBDHN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567851719 358600707 /nfs/dbraw/zinc/60/07/07/358600707.db2.gz YSPZNSYQSSGPHV-QMMMGPOBSA-N 0 3 288.329 0.251 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@H]2CNCCC2(F)F)c1[N+](=O)[O-] ZINC000568984500 358721612 /nfs/dbraw/zinc/72/16/12/358721612.db2.gz MMRZGVYNGDRBDA-LURJTMIESA-N 0 3 289.242 0.353 20 5 CCBDHN C[C@H]1C[C@@H](CO)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574117465 359030841 /nfs/dbraw/zinc/03/08/41/359030841.db2.gz PPJUPXMRYKEVGP-GMXVVIOVSA-N 0 3 298.343 0.245 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1C[C@H]2CCN(C)[C@H]2C1 ZINC000580037347 359077875 /nfs/dbraw/zinc/07/78/75/359077875.db2.gz GDWJFOBGUTURIQ-BDAKNGLRSA-N 0 3 251.290 0.469 20 5 CCBDHN CN1CC=C(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000584788654 359206766 /nfs/dbraw/zinc/20/67/66/359206766.db2.gz OQEWODRBXGZEQY-UHFFFAOYSA-N 0 3 291.311 0.394 20 5 CCBDHN CN(C)C[C@H](CO)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000589101411 359358641 /nfs/dbraw/zinc/35/86/41/359358641.db2.gz CNTXPQCJBNTJLC-MRVPVSSYSA-N 0 3 274.708 0.978 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000588863806 359342993 /nfs/dbraw/zinc/34/29/93/359342993.db2.gz ULQIERRTYSKBNY-MRVPVSSYSA-N 0 3 273.314 0.309 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@H]2C1 ZINC000589941324 359411515 /nfs/dbraw/zinc/41/15/15/359411515.db2.gz CUBPUBWNHGYFLX-KCJUWKMLSA-N 0 3 264.285 0.699 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000590443582 359466553 /nfs/dbraw/zinc/46/65/53/359466553.db2.gz DNJNOVNDSPGMJR-CABZTGNLSA-N 0 3 276.296 0.766 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590447405 359470074 /nfs/dbraw/zinc/47/00/74/359470074.db2.gz XAXCYJBAHMLUTG-BDAKNGLRSA-N 0 3 279.300 0.402 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590447405 359470079 /nfs/dbraw/zinc/47/00/79/359470079.db2.gz XAXCYJBAHMLUTG-BDAKNGLRSA-N 0 3 279.300 0.402 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CCNC[C@@](C)(F)C1 ZINC000591442204 359593049 /nfs/dbraw/zinc/59/30/49/359593049.db2.gz UKOPQBYBWIFSSB-SNVBAGLBSA-N 0 3 257.269 0.466 20 5 CCBDHN CCn1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000591766537 359655913 /nfs/dbraw/zinc/65/59/13/359655913.db2.gz FMRXWILMRVUQEU-GFCCVEGCSA-N 0 3 294.315 0.158 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC1CCN([C@H]2CCOC2)CC1 ZINC000611166293 363669443 /nfs/dbraw/zinc/66/94/43/363669443.db2.gz COCUMKYFRXZZTC-NSHDSACASA-N 0 3 295.343 0.994 20 5 CCBDHN CN(C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000298206592 200360249 /nfs/dbraw/zinc/36/02/49/200360249.db2.gz OTBVTMZQBOXMDD-UHFFFAOYSA-N 0 3 288.329 0.216 20 5 CCBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177141486 189031845 /nfs/dbraw/zinc/03/18/45/189031845.db2.gz HYJQRHUNPSNUSR-PWSUYJOCSA-N 0 3 295.343 0.636 20 5 CCBDHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000594570261 360331826 /nfs/dbraw/zinc/33/18/26/360331826.db2.gz MKMHVEYTEZQLJI-GFCCVEGCSA-N 0 3 299.327 0.004 20 5 CCBDHN Cc1nn(C)c(C(=O)N[C@H](CN)C(F)(F)F)c1[N+](=O)[O-] ZINC000594451594 360315567 /nfs/dbraw/zinc/31/55/67/360315567.db2.gz NROHAYOBAKRVGH-RXMQYKEDSA-N 0 3 295.221 0.256 20 5 CCBDHN Cc1c([N+](=O)[O-])ccc(=O)n1C[C@@H]1CNCCO1 ZINC000594696914 360361392 /nfs/dbraw/zinc/36/13/92/360361392.db2.gz SVRMXYPJGYHHHP-VIFPVBQESA-N 0 3 253.258 0.053 20 5 CCBDHN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595108588 360436557 /nfs/dbraw/zinc/43/65/57/360436557.db2.gz RDJNMDQYPUTYLC-ZETCQYMHSA-N 0 3 274.302 0.005 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC=CCC2)c1 ZINC000611517548 363732102 /nfs/dbraw/zinc/73/21/02/363732102.db2.gz OGFWWERCZXQUDV-LLVKDONJSA-N 0 3 252.274 0.414 20 5 CCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H](C)C1O ZINC000595745074 360637291 /nfs/dbraw/zinc/63/72/91/360637291.db2.gz PIFKSFGXKOSZEP-UWVGGRQHSA-N 0 3 268.317 0.740 20 5 CCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)C1(NC2CC2)CCC1 ZINC000595955051 360731981 /nfs/dbraw/zinc/73/19/81/360731981.db2.gz DIHSTDWJTHSMQZ-UHFFFAOYSA-N 0 3 293.327 0.582 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCOC2(CNC2)C1 ZINC000596096976 360792655 /nfs/dbraw/zinc/79/26/55/360792655.db2.gz AYRYNKKJRCISDK-UHFFFAOYSA-N 0 3 277.280 0.409 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCOC2(CNC2)C1 ZINC000596098230 360793762 /nfs/dbraw/zinc/79/37/62/360793762.db2.gz IXLBTNYKVPSTMW-UHFFFAOYSA-N 0 3 295.270 0.548 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](CO)CN(C)C)n1 ZINC000596243026 360850099 /nfs/dbraw/zinc/85/00/99/360850099.db2.gz JKLXAZQNPDBDQR-SNVBAGLBSA-N 0 3 268.317 0.941 20 5 CCBDHN C[C@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000563811465 291251970 /nfs/dbraw/zinc/25/19/70/291251970.db2.gz FATZJOCOOJUZPI-ZETCQYMHSA-N 0 3 250.258 0.222 20 5 CCBDHN COc1cccc(C(=O)N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000597654248 361174600 /nfs/dbraw/zinc/17/46/00/361174600.db2.gz QWTGRRXMZKKYOS-VIFPVBQESA-N 0 3 297.311 0.256 20 5 CCBDHN CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)N1 ZINC000598536795 361442373 /nfs/dbraw/zinc/44/23/73/361442373.db2.gz XHFXAUDNKVVVSR-WDEREUQCSA-N 0 3 295.343 0.780 20 5 CCBDHN CC(C)[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1 ZINC000598575672 361447354 /nfs/dbraw/zinc/44/73/54/361447354.db2.gz VPMNMVPVYKVUSY-VIFPVBQESA-N 0 3 267.289 0.388 20 5 CCBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1(CCO)CNC1 ZINC000598913983 361530334 /nfs/dbraw/zinc/53/03/34/361530334.db2.gz TXAZMRMJJRUBQL-UHFFFAOYSA-N 0 3 298.274 0.580 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CNC(C)(C)C(C)(C)O ZINC000330768007 203210320 /nfs/dbraw/zinc/21/03/20/203210320.db2.gz XKSLKFKJPHVQGG-UHFFFAOYSA-N 0 3 256.306 0.967 20 5 CCBDHN O=C(C[C@@H]1CSCCN1)NCCn1cc([N+](=O)[O-])cn1 ZINC000567670952 291499479 /nfs/dbraw/zinc/49/94/79/291499479.db2.gz SXNBZEZUNZRKTD-SECBINFHSA-N 0 3 299.356 0.003 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCN2C[C@H](O)[C@H](CO)C2)cc1 ZINC000459681863 249053264 /nfs/dbraw/zinc/05/32/64/249053264.db2.gz DQSMDNMPOGGLSO-GWCFXTLKSA-N 0 3 282.296 0.259 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000268217280 190386670 /nfs/dbraw/zinc/38/66/70/190386670.db2.gz PUBLIKSVGNCADU-KOLCDFICSA-N 0 3 293.327 0.390 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000268219604 190387600 /nfs/dbraw/zinc/38/76/00/190387600.db2.gz LSVWXGBEHFLBAK-SKDRFNHKSA-N 0 3 293.327 0.390 20 5 CCBDHN COC(=O)CC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000288584754 197119625 /nfs/dbraw/zinc/11/96/25/197119625.db2.gz IWPSIRFEFFDIOZ-NSHDSACASA-N 0 3 295.295 0.492 20 5 CCBDHN CN(CCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281503507 195267571 /nfs/dbraw/zinc/26/75/71/195267571.db2.gz AYFUVPKCYJRVRE-LBPRGKRZSA-N 0 3 254.286 0.942 20 5 CCBDHN CN(CC1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285793653 388798803 /nfs/dbraw/zinc/79/88/03/388798803.db2.gz ZQGVNRYBZXRQHR-UHFFFAOYSA-N 0 3 281.316 0.732 20 5 CCBDHN C[C@H](CN1CCCCC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000027765694 388824477 /nfs/dbraw/zinc/82/44/77/388824477.db2.gz NMZDCFJFWUEKHS-LLVKDONJSA-N 0 3 295.343 0.782 20 5 CCBDHN CN(C)C1(CN(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CCC1 ZINC000187022091 388865231 /nfs/dbraw/zinc/86/52/31/388865231.db2.gz BAFMCOXLCPBHST-UHFFFAOYSA-N 0 3 295.343 0.734 20 5 CCBDHN CNC(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 ZINC000212129808 389131919 /nfs/dbraw/zinc/13/19/19/389131919.db2.gz FPMNLZAAFVLFFV-UHFFFAOYSA-N 0 3 264.285 0.364 20 5 CCBDHN CC(C)N(C)CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000129929180 389195083 /nfs/dbraw/zinc/19/50/83/389195083.db2.gz IIBDKRHLRMKATC-UHFFFAOYSA-N 0 3 269.305 0.248 20 5 CCBDHN CNC(=O)c1ccc(N2CCNC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261670966 389274805 /nfs/dbraw/zinc/27/48/05/389274805.db2.gz BJOKNYGXEORSLT-VIFPVBQESA-N 0 3 278.312 0.753 20 5 CCBDHN O=C(CCNCc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000159264406 389361881 /nfs/dbraw/zinc/36/18/81/389361881.db2.gz RSWHLLMPSSBKLQ-UHFFFAOYSA-N 0 3 293.323 0.933 20 5 CCBDHN CN1CC[C@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)[C@@H]2C1 ZINC000272188358 389466247 /nfs/dbraw/zinc/46/62/47/389466247.db2.gz LRXYVNMAETXXOU-WCBMZHEXSA-N 0 3 278.316 0.497 20 5 CCBDHN Cc1ccc(CNC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415096396 389658617 /nfs/dbraw/zinc/65/86/17/389658617.db2.gz PRGZXFUGGLOQBS-GFCCVEGCSA-N 0 3 265.313 0.981 20 5 CCBDHN Cc1nc(N2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000405219901 389813612 /nfs/dbraw/zinc/81/36/12/389813612.db2.gz MDNFNUYYFQXUGC-WDEREUQCSA-N 0 3 278.312 0.553 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000447253465 389949661 /nfs/dbraw/zinc/94/96/61/389949661.db2.gz YVENTLBUVFMQFY-UHFFFAOYSA-N 0 3 287.341 0.920 20 5 CCBDHN C[C@H]1[C@@H](CO)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000488765253 390096135 /nfs/dbraw/zinc/09/61/35/390096135.db2.gz HSBBLNMRWDVFQY-VHSXEESVSA-N 0 3 254.290 0.494 20 5 CCBDHN Cc1nc(N2C[C@H]3CCN(C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC000519522000 390504172 /nfs/dbraw/zinc/50/41/72/390504172.db2.gz PSEZYMOMGGARQQ-KOLCDFICSA-N 0 3 263.301 0.834 20 5 CCBDHN CC(C)N1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000520614761 390585895 /nfs/dbraw/zinc/58/58/95/390585895.db2.gz KOYPPPKAYSKBLB-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN CC1(C)[C@H](NCCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000566424957 390601600 /nfs/dbraw/zinc/60/16/00/390601600.db2.gz STIXUPNEVSPBSR-MNOVXSKESA-N 0 3 281.312 0.506 20 5 CCBDHN COCCNCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000571268158 390728118 /nfs/dbraw/zinc/72/81/18/390728118.db2.gz ZAOMAHLLNZHKFI-UHFFFAOYSA-N 0 3 296.327 0.630 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(CCO)CC1 ZINC000534135732 390888874 /nfs/dbraw/zinc/88/88/74/390888874.db2.gz CCRZRYICHWQAPV-UHFFFAOYSA-N 0 3 295.339 0.851 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356743230 144029349 /nfs/dbraw/zinc/02/93/49/144029349.db2.gz URFKTBRKKJRKSN-WPRPVWTQSA-N 0 3 293.327 0.541 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356742926 144029392 /nfs/dbraw/zinc/02/93/92/144029392.db2.gz URFKTBRKKJRKSN-WCBMZHEXSA-N 0 3 293.327 0.541 20 5 CCBDHN C[C@H]1[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)CCN1C ZINC000357028146 144051811 /nfs/dbraw/zinc/05/18/11/144051811.db2.gz BNLVPGQMYVTECN-QWRGUYRKSA-N 0 3 267.333 0.816 20 5 CCBDHN CCC[C@H]1CNCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000359247655 144205748 /nfs/dbraw/zinc/20/57/48/144205748.db2.gz UJCWHXDRHHCMNO-VIFPVBQESA-N 0 3 281.316 0.840 20 5 CCBDHN CCC[C@H]1CNCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000359247655 144205749 /nfs/dbraw/zinc/20/57/49/144205749.db2.gz UJCWHXDRHHCMNO-VIFPVBQESA-N 0 3 281.316 0.840 20 5 CCBDHN C[C@@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193402825 296582612 /nfs/dbraw/zinc/58/26/12/296582612.db2.gz OCFNVJUYZSIZIN-ZJUUUORDSA-N 0 3 299.352 0.871 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548712566 286060944 /nfs/dbraw/zinc/06/09/44/286060944.db2.gz PWKGZJYHPIUFFA-VIFPVBQESA-N 0 3 293.327 0.616 20 5 CCBDHN CN(C)C[C@H]1CCCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548938408 286080815 /nfs/dbraw/zinc/08/08/15/286080815.db2.gz UGAHEJNUPFULQO-SECBINFHSA-N 0 3 281.316 0.874 20 5 CCBDHN CCCN(CCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000049825569 411676891 /nfs/dbraw/zinc/67/68/91/411676891.db2.gz YRXLXWJYSXRHMF-UHFFFAOYSA-N 0 3 256.306 0.804 20 5 CCBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285259466 196234498 /nfs/dbraw/zinc/23/44/98/196234498.db2.gz SDXIMOVNDHKQGZ-SECBINFHSA-N 0 3 281.316 0.780 20 5 CCBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285720641 196377404 /nfs/dbraw/zinc/37/74/04/196377404.db2.gz QENFQSHHLUIYLZ-WCBMZHEXSA-N 0 3 281.316 0.776 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CC[C@H](C)C1 ZINC000525805791 262368369 /nfs/dbraw/zinc/36/83/69/262368369.db2.gz UOTUVQSTLPAXPK-JTQLQIEISA-N 0 3 295.343 0.558 20 5 CCBDHN N[C@@H]1C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000424141051 274960123 /nfs/dbraw/zinc/96/01/23/274960123.db2.gz OKGYDAZFCLWQMU-NWDGAFQWSA-N 0 3 261.281 0.827 20 5 CCBDHN CNc1nccc(C(=O)NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000577005261 335277855 /nfs/dbraw/zinc/27/78/55/335277855.db2.gz VQLHXHIRDJDXTD-QMMMGPOBSA-N 0 3 281.316 0.133 20 5 CCBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])[nH]1 ZINC000452782358 534641781 /nfs/dbraw/zinc/64/17/81/534641781.db2.gz KLWKJTKEIKEZJM-SNVBAGLBSA-N 0 3 296.327 0.500 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC1CCN(C)CC1 ZINC000356487759 527558241 /nfs/dbraw/zinc/55/82/41/527558241.db2.gz XZKIXWVABZCABJ-UHFFFAOYSA-N 0 3 267.289 0.152 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCNC[C@@H]1C ZINC000261608626 535969397 /nfs/dbraw/zinc/96/93/97/535969397.db2.gz AHKXYMXIFUTBRA-QMMMGPOBSA-N 0 3 253.306 0.918 20 5 CCBDHN C[C@@H]1CCCN1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000783916708 581367233 /nfs/dbraw/zinc/36/72/33/581367233.db2.gz JSROJRYODMVXSH-SECBINFHSA-N 0 3 281.316 0.542 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]3C[C@@H]32)c1 ZINC000761096244 581887970 /nfs/dbraw/zinc/88/79/70/581887970.db2.gz SMUDQVAKMDJJGU-IEBDPFPHSA-N 0 3 252.274 0.246 20 5 CCBDHN CNC(=O)C1(NCCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000746671318 581921744 /nfs/dbraw/zinc/92/17/44/581921744.db2.gz IBQCCBKVRUCYQY-UHFFFAOYSA-N 0 3 281.316 0.440 20 5 CCBDHN NC(=O)c1ccc(CN[C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000763067164 581982779 /nfs/dbraw/zinc/98/27/79/581982779.db2.gz ITKSQZZFTWVZNA-GFCCVEGCSA-N 0 3 293.323 0.944 20 5 CCBDHN CC(C)CN1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813113542 614118187 /nfs/dbraw/zinc/11/81/87/614118187.db2.gz FQAZHTPXEUIXLL-ZJUUUORDSA-N 0 3 272.301 0.699 20 5 CCBDHN CN(C)C[C@@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000813356287 615934892 /nfs/dbraw/zinc/93/48/92/615934892.db2.gz VZSVBDLWGHABEH-JTQLQIEISA-N 0 3 278.268 0.581 20 5 CCBDHN CC[S@](=O)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000132780559 616016835 /nfs/dbraw/zinc/01/68/35/616016835.db2.gz ZSLQOIVPCNZSQB-HXPMCKFVSA-N 0 3 286.353 0.986 20 5 CCBDHN CN(CCO)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000899734439 616103290 /nfs/dbraw/zinc/10/32/90/616103290.db2.gz GETCWEZHZIHFRL-UHFFFAOYSA-N 0 3 295.339 0.568 20 5 CCBDHN CN1CCN(Cc2ccccc2)[C@H](CNCC[N+](=O)[O-])C1 ZINC000905383777 616245554 /nfs/dbraw/zinc/24/55/54/616245554.db2.gz UJVWNNVRIRAVHI-OAHLLOKOSA-N 0 3 292.383 0.669 20 5 CCBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000923270366 616308977 /nfs/dbraw/zinc/30/89/77/616308977.db2.gz RUKIGZOJNLHORA-DTWKUNHWSA-N 0 3 279.300 0.627 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2CN(C)C[C@@H]21 ZINC000893939936 616362353 /nfs/dbraw/zinc/36/23/53/616362353.db2.gz KREKRDAUUPJNAL-IUCAKERBSA-N 0 3 251.290 0.469 20 5 CCBDHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1cnn(C)c1 ZINC000813104849 617130625 /nfs/dbraw/zinc/13/06/25/617130625.db2.gz SINPENJTBBXLMT-VXNVDRBHSA-N 0 3 257.246 0.316 20 5 CCBDHN C[C@@]1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CN2CCC1CC2 ZINC000892788352 623839844 /nfs/dbraw/zinc/83/98/44/623839844.db2.gz CTHONVKYKHBBPI-CYBMUJFWSA-N 0 3 293.327 0.392 20 5 CCBDHN CC(COC(=O)c1ccc2c(c1)nnn2C)[N+](=O)[O-] ZINC000813103343 624647495 /nfs/dbraw/zinc/64/74/95/624647495.db2.gz OSVNKNNZNLFTJV-ZETCQYMHSA-N 0 3 264.241 0.790 20 5 CCBDHN O=[N+]([O-])c1cnn(CN2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000902645806 634428756 /nfs/dbraw/zinc/42/87/56/634428756.db2.gz YTTQZNHMTSUNBV-STQMWFEESA-N 0 3 295.343 0.280 20 5 CCBDHN O=[N+]([O-])CCNCCn1cc(Br)cn1 ZINC000905257687 634828485 /nfs/dbraw/zinc/82/84/85/634828485.db2.gz SWBCCXGXLLUNNE-UHFFFAOYSA-N 0 3 263.095 0.512 20 5 CCBDHN Cc1sc(C(=O)NCCN(C)CCO)cc1[N+](=O)[O-] ZINC000899729660 633877028 /nfs/dbraw/zinc/87/70/28/633877028.db2.gz MYJQXZBMCQUYRM-UHFFFAOYSA-N 0 3 287.341 0.619 20 5 CCBDHN Cc1c(CNC[C@](C)(O)CO)cccc1[N+](=O)[O-] ZINC000090288349 637377456 /nfs/dbraw/zinc/37/74/56/637377456.db2.gz RODXRHLHGDKYES-LBPRGKRZSA-N 0 3 254.286 0.736 20 5 CCBDHN CC(COC(=O)c1cccc(OCC(N)=O)c1)[N+](=O)[O-] ZINC000813103784 641022418 /nfs/dbraw/zinc/02/24/18/641022418.db2.gz TXQNLKLTKUBHJV-MRVPVSSYSA-N 0 3 282.252 0.373 20 5 CCBDHN CC(COC(=O)c1ccc(-n2cnnn2)cc1)[N+](=O)[O-] ZINC000813104833 641022629 /nfs/dbraw/zinc/02/26/29/641022629.db2.gz SDSXBHJHTLWTSH-QMMMGPOBSA-N 0 3 277.240 0.484 20 5 CCBDHN CC(COC(=O)c1cc(S(C)(=O)=O)cs1)[N+](=O)[O-] ZINC000813110182 641022969 /nfs/dbraw/zinc/02/29/69/641022969.db2.gz UKRMVGKMXSMHBI-ZCFIWIBFSA-N 0 3 293.322 0.974 20 5 CCBDHN CC(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)[N+](=O)[O-] ZINC000813112802 641024452 /nfs/dbraw/zinc/02/44/52/641024452.db2.gz LMUAALRVDRZNDP-MRVPVSSYSA-N 0 3 299.283 0.059 20 5 CCBDHN CC(COC(=O)CCNC(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813114708 641024677 /nfs/dbraw/zinc/02/46/77/641024677.db2.gz VLRMNIWDUBIPIY-QMMMGPOBSA-N 0 3 260.290 0.747 20 5 CCBDHN CC(COC(=O)[C@H]1CCc2nnn(C)c2C1)[N+](=O)[O-] ZINC000813114904 641024800 /nfs/dbraw/zinc/02/48/00/641024800.db2.gz XKHCNMYYIOHRJI-YUMQZZPRSA-N 0 3 268.273 0.128 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](CO)CN(C)C ZINC000822933559 641717420 /nfs/dbraw/zinc/71/74/20/641717420.db2.gz JZYINSMHCGQRIU-NSHDSACASA-N 0 3 295.339 0.864 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000832206488 642458546 /nfs/dbraw/zinc/45/85/46/642458546.db2.gz DFWCEUBMVMPVEY-ZDUSSCGKSA-N 0 3 297.286 0.530 20 5 CCBDHN CC(COC(=O)c1cn(CC2CC2)nn1)[N+](=O)[O-] ZINC000835457008 642664331 /nfs/dbraw/zinc/66/43/31/642664331.db2.gz VWEDYUALRZZDPC-SSDOTTSWSA-N 0 3 254.246 0.510 20 5 CCBDHN O=C(OCc1cc(C2CC2)n[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC000848010068 643573353 /nfs/dbraw/zinc/57/33/53/643573353.db2.gz SZIXYGVOGMIRLQ-PSASIEDQSA-N 0 3 251.242 0.996 20 5 CCBDHN CC(COC(=O)c1nnn(C(C)(C)C)n1)[N+](=O)[O-] ZINC000851036982 643828774 /nfs/dbraw/zinc/82/87/74/643828774.db2.gz OZBNVKJZUULLGQ-ZCFIWIBFSA-N 0 3 257.250 0.250 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CNCCO2)c1C ZINC000884339766 647713264 /nfs/dbraw/zinc/71/32/64/647713264.db2.gz WSHHRSRSPMMICP-LLVKDONJSA-N 0 3 293.323 0.930 20 5 CCBDHN O=[N+]([O-])c1ncccc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000886271190 647950244 /nfs/dbraw/zinc/95/02/44/647950244.db2.gz ZZHURLNVCAIJNF-NWDGAFQWSA-N 0 3 278.312 0.241 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928442275 648635417 /nfs/dbraw/zinc/63/54/17/648635417.db2.gz APLJORKESOGIIL-WCBMZHEXSA-N 0 3 281.316 0.309 20 5 CCBDHN O=[N+]([O-])CCN[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000930903564 648922613 /nfs/dbraw/zinc/92/26/13/648922613.db2.gz NJHUSYTWGOYUGI-WDEREUQCSA-N 0 3 258.318 0.563 20 5 CCBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN(C)C ZINC001140128451 799882802 /nfs/dbraw/zinc/88/28/02/799882802.db2.gz ZJGHEISRLOROKB-VIFPVBQESA-N 0 3 299.302 0.695 20 5 CCBDHN CN(C[C@@H]1CCCN1C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001142620316 800138333 /nfs/dbraw/zinc/13/83/33/800138333.db2.gz FXOXQEXQWZPYSF-VIFPVBQESA-N 0 3 281.316 0.495 20 5 CCBDHN Cc1nc(Cl)c([N+](=O)[O-])c(-n2cnc(CN)c2)n1 ZINC001154906520 800866308 /nfs/dbraw/zinc/86/63/08/800866308.db2.gz INERXICMDJAFAP-UHFFFAOYSA-N 0 3 268.664 0.991 20 5 CCBDHN C[C@@H](O)[C@@H](CO)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001161779023 802221857 /nfs/dbraw/zinc/22/18/57/802221857.db2.gz GWESFGCOQSPKTF-RDDDGLTNSA-N 0 3 267.285 0.352 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])ncc1-n1cnc(CN)c1 ZINC001162304313 802310802 /nfs/dbraw/zinc/31/08/02/802310802.db2.gz FQDNAOIZAMJALL-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN O=C1C[C@@H]2[NH2+]CC[C@]2([N-]c2cc(F)cc(F)c2[N+](=O)[O-])N1 ZINC001163248338 802517629 /nfs/dbraw/zinc/51/76/29/802517629.db2.gz GYEWVVBYKOPEJE-CABZTGNLSA-N 0 3 298.249 0.863 20 5 CCBDHN CN1CCN(CC2CN(c3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC001261791267 809089722 /nfs/dbraw/zinc/08/97/22/809089722.db2.gz LDEMCHIFULMYTO-UHFFFAOYSA-N 0 3 292.343 0.068 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)CCN(C)CCO ZINC000691370271 819215236 /nfs/dbraw/zinc/21/52/36/819215236.db2.gz IHORXSUYSCJYGX-UHFFFAOYSA-N 0 3 285.348 0.480 20 5 CCBDHN COc1nc(C)c(-n2nccc2CN)cc1[N+](=O)[O-] ZINC001162593953 819318573 /nfs/dbraw/zinc/31/85/73/819318573.db2.gz WHQWDZOQUJNZKF-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN O=c1[nH][n-]cc1CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967850 836088622 /nfs/dbraw/zinc/08/86/22/836088622.db2.gz TXSPMWSXVJVRJE-GARJFASQSA-N 0 3 268.317 0.533 20 5 CCBDHN COC(=O)[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C ZINC001169035084 836110146 /nfs/dbraw/zinc/11/01/46/836110146.db2.gz AFWKMAHLERAMKN-WOPDTQHZSA-N 0 3 285.344 0.221 20 5 CCBDHN CN1CCCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1=O ZINC001169038288 836111784 /nfs/dbraw/zinc/11/17/84/836111784.db2.gz XUNHWPJJPZHMRH-WDEREUQCSA-N 0 3 255.318 0.596 20 5 CCBDHN COc1ccc([N+](=O)[O-])nc1-n1nncc1CN ZINC001169309887 836210976 /nfs/dbraw/zinc/21/09/76/836210976.db2.gz NYSQPDGTEFFBQJ-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN COc1ccc(C[C@@H](C)N(C)C[C@@H](O)CO)c([N+](=O)[O-])c1 ZINC001170334813 837306567 /nfs/dbraw/zinc/30/65/67/837306567.db2.gz JBYIDPSLELHASG-ZYHUDNBSSA-N 0 3 298.339 0.819 20 5 CCBDHN C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170566310 838118306 /nfs/dbraw/zinc/11/83/06/838118306.db2.gz FPMSZLNSAYFAHE-WPRPVWTQSA-N 0 3 252.274 0.779 20 5 CCBDHN C[C@H](Nc1ncnc2[nH]cc([N+](=O)[O-])c21)[C@@H]1CNCCO1 ZINC001170566301 838125982 /nfs/dbraw/zinc/12/59/82/838125982.db2.gz XQISBYYDQPWRSL-CBAPKCEASA-N 0 3 292.299 0.655 20 5 CCBDHN Cc1nnc2ccc(C(=O)OCC(C)[N+](=O)[O-])cn12 ZINC000813101604 838676132 /nfs/dbraw/zinc/67/61/32/838676132.db2.gz DYTZFUUKRWQVJT-ZETCQYMHSA-N 0 3 264.241 0.860 20 5 CCBDHN COc1ncc(/C=C/C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813102649 838677001 /nfs/dbraw/zinc/67/70/01/838677001.db2.gz IEEYOBKRWISSNR-MPJRPATESA-N 0 3 267.241 0.707 20 5 CCBDHN COc1ncnc(N2CCNC3(CC3)C2)c1[N+](=O)[O-] ZINC001158936541 838694012 /nfs/dbraw/zinc/69/40/12/838694012.db2.gz IAEJOAPDSHFLHF-UHFFFAOYSA-N 0 3 265.273 0.336 20 5 CCBDHN CCCN(C)CC(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093788304 841457617 /nfs/dbraw/zinc/45/76/17/841457617.db2.gz XZCXWEBINXVMIX-UHFFFAOYSA-N 0 3 295.343 0.860 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(CC(N)=O)CC1 ZINC001307416103 908316599 /nfs/dbraw/zinc/31/65/99/908316599.db2.gz DCFKPLFYFURXQE-UHFFFAOYSA-N 0 3 295.343 0.687 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN2CCO[C@H]1C2 ZINC001307794522 908349645 /nfs/dbraw/zinc/34/96/45/908349645.db2.gz XKMYBAGCLIDGFM-OLZOCXBDSA-N 0 3 295.343 0.196 20 5 CCBDHN C[NH+](C)CCO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001329296162 915800527 /nfs/dbraw/zinc/80/05/27/915800527.db2.gz YOJPPBUNVWQEEU-UHFFFAOYSA-N 0 3 267.285 0.747 20 5 CCBDHN C[C@@H](NC(=O)[C@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC001339922619 921881629 /nfs/dbraw/zinc/88/16/29/921881629.db2.gz JQXHYFLLNOMBMK-ZWNOBZJWSA-N 0 3 292.339 0.676 20 5 CCBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001342215550 922863680 /nfs/dbraw/zinc/86/36/80/922863680.db2.gz MINKGRSGZOEACI-QMMMGPOBSA-N 0 3 295.270 0.595 20 5 CCBDHN Cc1nc(N2CC[C@H]3CN(C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001352021209 925510521 /nfs/dbraw/zinc/51/05/21/925510521.db2.gz AGIKMTFMMBAGNG-ONGXEEELSA-N 0 3 263.301 0.834 20 5 CCBDHN CC(C)(C)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)C(N)=O ZINC000090559172 349438314 /nfs/dbraw/zinc/43/83/14/349438314.db2.gz JJWKFRYALMJEQK-LLVKDONJSA-N 0 3 296.327 0.246 20 5 CCBDHN Cc1noc(C)c1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000091436496 349462620 /nfs/dbraw/zinc/46/26/20/349462620.db2.gz HBDXKTVZFVOLCO-LLVKDONJSA-N 0 3 295.299 0.547 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC1(C)COC1 ZINC000599571942 361750675 /nfs/dbraw/zinc/75/06/75/361750675.db2.gz XXGPHQVHNKKAAQ-UHFFFAOYSA-N 0 3 281.312 0.725 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093092147 349524856 /nfs/dbraw/zinc/52/48/56/349524856.db2.gz KYDSTHRFEMSWLV-TXEJJXNPSA-N 0 3 252.270 0.175 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000093333461 349539530 /nfs/dbraw/zinc/53/95/30/349539530.db2.gz QXOMUZBGNLXZDL-KOLCDFICSA-N 0 3 254.290 0.494 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(C)CC1 ZINC000103247699 349694257 /nfs/dbraw/zinc/69/42/57/349694257.db2.gz STPZGQBKVVHNQI-UHFFFAOYSA-N 0 3 295.343 0.654 20 5 CCBDHN CCc1ccc(C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423986717 529605042 /nfs/dbraw/zinc/60/50/42/529605042.db2.gz GMFWJBXYLSPGQJ-GFCCVEGCSA-N 0 3 293.323 0.875 20 5 CCBDHN COc1ccc(S(=O)(=O)[N-]C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000111302264 349770058 /nfs/dbraw/zinc/77/00/58/349770058.db2.gz RWIFQSIQZQADRM-SSDOTTSWSA-N 0 3 289.313 0.229 20 5 CCBDHN CCN(CCNC(=O)c1c([N+](=O)[O-])cnn1C)C1CC1 ZINC000119332020 349930313 /nfs/dbraw/zinc/93/03/13/349930313.db2.gz FNDHGPNYIHYFHW-UHFFFAOYSA-N 0 3 281.316 0.542 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000119869956 349959206 /nfs/dbraw/zinc/95/92/06/349959206.db2.gz LVFAVTIQAHPZQH-ZETCQYMHSA-N 0 3 253.262 0.142 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119869956 349959208 /nfs/dbraw/zinc/95/92/08/349959208.db2.gz LVFAVTIQAHPZQH-ZETCQYMHSA-N 0 3 253.262 0.142 20 5 CCBDHN CCO[C@@H]1COC[C@H]1NCCn1c(C)ncc1[N+](=O)[O-] ZINC000602836005 362826650 /nfs/dbraw/zinc/82/66/50/362826650.db2.gz CXBMJSRSPAKRJS-GHMZBOCLSA-N 0 3 284.316 0.493 20 5 CCBDHN CO[C@@H]1COC[C@H]1NCCn1c(C)ncc1[N+](=O)[O-] ZINC000602852925 362840860 /nfs/dbraw/zinc/84/08/60/362840860.db2.gz UKSKCUKBBVMCSY-NXEZZACHSA-N 0 3 270.289 0.103 20 5 CCBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000339307981 215084097 /nfs/dbraw/zinc/08/40/97/215084097.db2.gz OHYIAEHCZFVJHH-UHFFFAOYSA-N 0 3 270.289 0.231 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344026258 137173764 /nfs/dbraw/zinc/17/37/64/137173764.db2.gz BRTSDTCKVPUWPR-WCFLWFBJSA-N 0 3 293.323 0.459 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCC[NH3+] ZINC000037714583 348198545 /nfs/dbraw/zinc/19/85/45/348198545.db2.gz QYMCLYQFBCSNLE-UHFFFAOYSA-N 0 3 287.341 0.920 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1[C@H](C)O ZINC000602894509 362870531 /nfs/dbraw/zinc/87/05/31/362870531.db2.gz ICCOPOGYBBAVFM-GXSJLCMTSA-N 0 3 268.317 0.945 20 5 CCBDHN COC(=O)[C@@H](C)CN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000050069409 348465911 /nfs/dbraw/zinc/46/59/11/348465911.db2.gz SSFDSBKRPKPQQF-VIFPVBQESA-N 0 3 284.316 0.841 20 5 CCBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCO1 ZINC000075641456 349043835 /nfs/dbraw/zinc/04/38/35/349043835.db2.gz ZQZLTDFABYAJBT-RYUDHWBXSA-N 0 3 284.316 0.263 20 5 CCBDHN COCCCN(C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000078372937 349136099 /nfs/dbraw/zinc/13/60/99/349136099.db2.gz RPCBERPXWSIWOA-UHFFFAOYSA-N 0 3 284.320 0.347 20 5 CCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000120973380 350016300 /nfs/dbraw/zinc/01/63/00/350016300.db2.gz UASFMSMQLNYUDX-MNOVXSKESA-N 0 3 295.343 0.590 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccoc2)c1 ZINC000126033955 350135578 /nfs/dbraw/zinc/13/55/78/350135578.db2.gz XKGVHULJFWGCEC-NSHDSACASA-N 0 3 266.257 0.535 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CN1C1CC1 ZINC000126117637 350138734 /nfs/dbraw/zinc/13/87/34/350138734.db2.gz OQYVXZNQDVHRHR-BDAKNGLRSA-N 0 3 293.327 0.683 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000134260518 350358533 /nfs/dbraw/zinc/35/85/33/350358533.db2.gz SSJHHPVHWHGPIK-LLVKDONJSA-N 0 3 265.269 0.313 20 5 CCBDHN C[C@@H]1CCCN(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136028716 350412470 /nfs/dbraw/zinc/41/24/70/350412470.db2.gz UNPMIFHENVNFKS-SECBINFHSA-N 0 3 281.316 0.780 20 5 CCBDHN C[C@@H]1CCCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136028716 350412476 /nfs/dbraw/zinc/41/24/76/350412476.db2.gz UNPMIFHENVNFKS-SECBINFHSA-N 0 3 281.316 0.780 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CN(C)C ZINC000153289461 350557130 /nfs/dbraw/zinc/55/71/30/350557130.db2.gz SXEHKAIAMJGTLY-ZDUSSCGKSA-N 0 3 296.327 0.341 20 5 CCBDHN CCN1CCCC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000154958550 350605169 /nfs/dbraw/zinc/60/51/69/350605169.db2.gz JXWIXLGNVRGGKB-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN CCN1CCCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154958550 350605174 /nfs/dbraw/zinc/60/51/74/350605174.db2.gz JXWIXLGNVRGGKB-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](F)CN1 ZINC000188423905 351594160 /nfs/dbraw/zinc/59/41/60/351594160.db2.gz HMPGPXFGXOOBQF-CMPLNLGQSA-N 0 3 281.287 0.954 20 5 CCBDHN COCCNCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000212750762 351930727 /nfs/dbraw/zinc/93/07/27/351930727.db2.gz PIXOOOHGXMYJBS-UHFFFAOYSA-N 0 3 281.312 0.490 20 5 CCBDHN COCCNCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000212773443 351930898 /nfs/dbraw/zinc/93/08/98/351930898.db2.gz KAZVGXDXXOQNCG-UHFFFAOYSA-N 0 3 281.312 0.869 20 5 CCBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000416300895 233815118 /nfs/dbraw/zinc/81/51/18/233815118.db2.gz JLHWPRIYYWLBIE-UHFFFAOYSA-N 0 3 252.274 0.747 20 5 CCBDHN CNCC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000195140007 351898382 /nfs/dbraw/zinc/89/83/82/351898382.db2.gz VBMFRNOXUUKRPC-UHFFFAOYSA-N 0 3 297.311 0.490 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000237650319 352276802 /nfs/dbraw/zinc/27/68/02/352276802.db2.gz HATXZNMHFGEJDF-DTWKUNHWSA-N 0 3 278.312 0.999 20 5 CCBDHN CN(C)C1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000419006918 234284453 /nfs/dbraw/zinc/28/44/53/234284453.db2.gz JAXNEFQIBKHTNP-UHFFFAOYSA-N 0 3 276.300 0.566 20 5 CCBDHN CC(C)N1CCC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000274517865 353137079 /nfs/dbraw/zinc/13/70/79/353137079.db2.gz RQEAQGLAIFBUII-LLVKDONJSA-N 0 3 295.343 0.780 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000152603743 188031852 /nfs/dbraw/zinc/03/18/52/188031852.db2.gz XUSYEOIJODSULO-ZDUSSCGKSA-N 0 3 296.327 0.219 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153234941 188071491 /nfs/dbraw/zinc/07/14/91/188071491.db2.gz CCNYFCVRJPGUTN-AWEZNQCLSA-N 0 3 295.339 0.566 20 5 CCBDHN Cc1cc(OCC(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000280528260 353367864 /nfs/dbraw/zinc/36/78/64/353367864.db2.gz KZWSWMVZJCHYGC-UHFFFAOYSA-N 0 3 281.312 0.960 20 5 CCBDHN C[C@]1(C(N)=O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280815791 353385485 /nfs/dbraw/zinc/38/54/85/353385485.db2.gz UGINTHUMISPTRW-OCCSQVGLSA-N 0 3 293.323 0.826 20 5 CCBDHN CN(C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccco1 ZINC000158923738 188399620 /nfs/dbraw/zinc/39/96/20/188399620.db2.gz PNMODBPIMOVOEX-MRVPVSSYSA-N 0 3 293.283 0.944 20 5 CCBDHN COc1ccc(OCCN(C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000286439149 353587017 /nfs/dbraw/zinc/58/70/17/353587017.db2.gz LPYNYBOXRLHWEM-UHFFFAOYSA-N 0 3 297.311 0.789 20 5 CCBDHN CC(C)N1CC[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290471450 353729050 /nfs/dbraw/zinc/72/90/50/353729050.db2.gz ALHMJSOJGUTDJR-SECBINFHSA-N 0 3 293.327 0.983 20 5 CCBDHN CCN(C)C(=O)[C@@H](NCCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000296268764 353939575 /nfs/dbraw/zinc/93/95/75/353939575.db2.gz MFTXYBBCSCSUND-LBPRGKRZSA-N 0 3 297.359 0.884 20 5 CCBDHN CCN(C)CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299275759 354005270 /nfs/dbraw/zinc/00/52/70/354005270.db2.gz QNAZFHCIOIDPBI-UHFFFAOYSA-N 0 3 267.289 0.452 20 5 CCBDHN C[C@H]1CCC[C@H](CO)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000305876462 354167501 /nfs/dbraw/zinc/16/75/01/354167501.db2.gz RFSCSQWQWCPQOT-WCQYABFASA-N 0 3 295.339 0.992 20 5 CCBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000330558297 354412046 /nfs/dbraw/zinc/41/20/46/354412046.db2.gz GPGZOAPYXXHIKA-SNVBAGLBSA-N 0 3 295.343 0.742 20 5 CCBDHN CC(C)[C@H]1CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353024977 356140850 /nfs/dbraw/zinc/14/08/50/356140850.db2.gz JPBMITMUWPTSMG-NWDGAFQWSA-N 0 3 268.317 0.883 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC(O)C1 ZINC000353484309 356234382 /nfs/dbraw/zinc/23/43/82/356234382.db2.gz JNDIXUSJSGDCLH-UHFFFAOYSA-N 0 3 267.285 0.212 20 5 CCBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC000361064486 138020249 /nfs/dbraw/zinc/02/02/49/138020249.db2.gz DVBVNSAKRYWSGU-SFYZADRCSA-N 0 3 266.305 0.692 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCC3)C2)n1 ZINC000362670587 138068681 /nfs/dbraw/zinc/06/86/81/138068681.db2.gz VEBWVGITMNMGQB-SNVBAGLBSA-N 0 3 293.327 0.639 20 5 CCBDHN CS[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000619789790 366354311 /nfs/dbraw/zinc/35/43/11/366354311.db2.gz NQHMXMAXVXJOCR-IUCAKERBSA-N 0 3 299.356 0.436 20 5 CCBDHN Cc1nn(C)c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408130592 357930558 /nfs/dbraw/zinc/93/05/58/357930558.db2.gz VTERLYMJICLVBC-SCZZXKLOSA-N 0 3 295.343 0.849 20 5 CCBDHN COC[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000452042416 236213944 /nfs/dbraw/zinc/21/39/44/236213944.db2.gz UAXFCBOKQCNZES-AAEUAGOBSA-N 0 3 298.343 0.653 20 5 CCBDHN Cc1ccnc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000517758696 358342371 /nfs/dbraw/zinc/34/23/71/358342371.db2.gz CGXLJNROCWQXBM-VHSXEESVSA-N 0 3 291.311 0.046 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H]3CCC[C@@H]32)c1 ZINC000610762760 363609820 /nfs/dbraw/zinc/60/98/20/363609820.db2.gz SIPCBEVESLRCRS-JLLWLGSASA-N 0 3 266.301 0.637 20 5 CCBDHN CN1CC[C@@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C[C@@H]21 ZINC000584729002 359198480 /nfs/dbraw/zinc/19/84/80/359198480.db2.gz BPBIHARXOABCPI-SCZZXKLOSA-N 0 3 291.311 0.178 20 5 CCBDHN CCN1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611091737 363659193 /nfs/dbraw/zinc/65/91/93/363659193.db2.gz FLDQKNWQEQEZHJ-NSHDSACASA-N 0 3 267.333 0.817 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000590044237 359419208 /nfs/dbraw/zinc/41/92/08/359419208.db2.gz IWKWUPFTMNXCOX-ONGXEEELSA-N 0 3 278.312 0.709 20 5 CCBDHN COc1cccc(C(=O)NC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC000562981493 291177690 /nfs/dbraw/zinc/17/76/90/291177690.db2.gz ODNAJASRUIELQD-SECBINFHSA-N 0 3 295.295 0.322 20 5 CCBDHN CN(C)[C@H]1CN(c2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC000589692502 359398362 /nfs/dbraw/zinc/39/83/62/359398362.db2.gz DYCARYCGGLMFBZ-UWVGGRQHSA-N 0 3 252.274 0.101 20 5 CCBDHN CCn1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000591766538 359656136 /nfs/dbraw/zinc/65/61/36/359656136.db2.gz FMRXWILMRVUQEU-LBPRGKRZSA-N 0 3 294.315 0.158 20 5 CCBDHN C[C@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000563157025 291200630 /nfs/dbraw/zinc/20/06/30/291200630.db2.gz FFMYXELEEYIOQR-QMMMGPOBSA-N 0 3 253.258 0.437 20 5 CCBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1 ZINC000592246429 359805618 /nfs/dbraw/zinc/80/56/18/359805618.db2.gz NSWZGZMETVCRGB-SECBINFHSA-N 0 3 267.289 0.388 20 5 CCBDHN C[C@@H](CCO)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000593109368 360041028 /nfs/dbraw/zinc/04/10/28/360041028.db2.gz XTXFKEMAIQEVTA-JTQLQIEISA-N 0 3 269.301 0.459 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC=CCC2)c1 ZINC000611517549 363732767 /nfs/dbraw/zinc/73/27/67/363732767.db2.gz OGFWWERCZXQUDV-NSHDSACASA-N 0 3 252.274 0.414 20 5 CCBDHN C[C@@]12COC[C@@H]1CN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595760614 360644334 /nfs/dbraw/zinc/64/43/34/360644334.db2.gz UUUSHYZFRXYMHG-CMPLNLGQSA-N 0 3 266.301 0.760 20 5 CCBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[C@H]1F ZINC000595989086 360763676 /nfs/dbraw/zinc/76/36/76/360763676.db2.gz HYOHIYGEVFWRMF-RNFRBKRXSA-N 0 3 256.237 0.434 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2C[C@H](O)C2)c1 ZINC000596066223 360785123 /nfs/dbraw/zinc/78/51/23/360785123.db2.gz ABMAHYUYNIEAJR-DLOVCJGASA-N 0 3 282.296 0.447 20 5 CCBDHN O=[N+]([O-])c1ccc(CN2CCOC3(CNC3)C2)c(F)c1 ZINC000596108742 360796403 /nfs/dbraw/zinc/79/64/03/360796403.db2.gz XESWKDICYSQGAB-UHFFFAOYSA-N 0 3 281.287 0.908 20 5 CCBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000563942089 291259807 /nfs/dbraw/zinc/25/98/07/291259807.db2.gz DRKXKFXAZCWDFG-SECBINFHSA-N 0 3 281.316 0.873 20 5 CCBDHN CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)N1 ZINC000598535953 361442529 /nfs/dbraw/zinc/44/25/29/361442529.db2.gz MGYHWYSNYJXNKF-VHSXEESVSA-N 0 3 281.316 0.390 20 5 CCBDHN COC(=O)c1ccnc(N2C[C@@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000599110333 361575178 /nfs/dbraw/zinc/57/51/78/361575178.db2.gz RCMPGYMSBVSWRH-DTORHVGOSA-N 0 3 294.311 0.963 20 5 CCBDHN Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000507143475 241172687 /nfs/dbraw/zinc/17/26/87/241172687.db2.gz MYDLATZNRPVSRB-MRVPVSSYSA-N 0 3 292.299 0.889 20 5 CCBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H](O)CN1 ZINC000261566626 190040781 /nfs/dbraw/zinc/04/07/81/190040781.db2.gz ZHFAWZSABDVNFX-NXEZZACHSA-N 0 3 251.242 0.256 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262816694 190063447 /nfs/dbraw/zinc/06/34/47/190063447.db2.gz PGEGDLCFNWTQOC-DTWKUNHWSA-N 0 3 281.316 0.309 20 5 CCBDHN C[C@@H]1NCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1C ZINC000262836674 190063555 /nfs/dbraw/zinc/06/35/55/190063555.db2.gz WMXBWMUOTNOVMQ-IUCAKERBSA-N 0 3 278.312 0.999 20 5 CCBDHN Cc1ccc(CNC[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000459691843 249054485 /nfs/dbraw/zinc/05/44/85/249054485.db2.gz HBEOKEQMOWGHQB-GFCCVEGCSA-N 0 3 291.311 0.645 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)s1 ZINC000123121574 284690483 /nfs/dbraw/zinc/69/04/83/284690483.db2.gz VUOHSZUQNHTPBE-ZCFIWIBFSA-N 0 3 277.327 0.297 20 5 CCBDHN COCCCN(C)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000266178577 190237711 /nfs/dbraw/zinc/23/77/11/190237711.db2.gz XFIUIEPJDWDQSM-UHFFFAOYSA-N 0 3 299.331 0.324 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268136022 190379738 /nfs/dbraw/zinc/37/97/38/190379738.db2.gz CLFBYYJFFPIOPF-XCBNKYQSSA-N 0 3 293.327 0.839 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1CO ZINC000248435786 285164504 /nfs/dbraw/zinc/16/45/04/285164504.db2.gz AJWJEIZYPYKRBE-NWDGAFQWSA-N 0 3 296.323 0.791 20 5 CCBDHN C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1 ZINC000052783394 388927481 /nfs/dbraw/zinc/92/74/81/388927481.db2.gz GAPZBZPJQWRWFC-VIFPVBQESA-N 0 3 299.352 0.796 20 5 CCBDHN Nc1nc(N2CC[C@@H](N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000301145021 389046989 /nfs/dbraw/zinc/04/69/89/389046989.db2.gz IZTBCYSLZCVRHI-SECBINFHSA-N 0 3 278.316 0.642 20 5 CCBDHN CN(C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000192518726 389041605 /nfs/dbraw/zinc/04/16/05/389041605.db2.gz WMACNSWSVSSEDA-UHFFFAOYSA-N 0 3 294.311 0.002 20 5 CCBDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000421083743 389351887 /nfs/dbraw/zinc/35/18/87/389351887.db2.gz JZAYTVGTRFKQFG-JTQLQIEISA-N 0 3 293.327 0.970 20 5 CCBDHN CN(c1ncc([N+](=O)[O-])cn1)[C@H]1CCCN(C)C1 ZINC000273148335 389475027 /nfs/dbraw/zinc/47/50/27/389475027.db2.gz HAZLCCPXUQAADW-VIFPVBQESA-N 0 3 251.290 0.915 20 5 CCBDHN Cc1cc(NC(=O)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000411231898 389421423 /nfs/dbraw/zinc/42/14/23/389421423.db2.gz XDXUSEFCNPYEOB-UHFFFAOYSA-N 0 3 294.311 0.520 20 5 CCBDHN COCCNCCNCc1cccc([N+](=O)[O-])c1 ZINC000414879920 389642668 /nfs/dbraw/zinc/64/26/68/389642668.db2.gz IMHCYTKHVQHEFK-UHFFFAOYSA-N 0 3 253.302 0.920 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CNCCO1 ZINC000415091451 389657280 /nfs/dbraw/zinc/65/72/80/389657280.db2.gz CPXNQZPRTBSSKU-CYBMUJFWSA-N 0 3 265.313 0.981 20 5 CCBDHN COCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000352021113 389736680 /nfs/dbraw/zinc/73/66/80/389736680.db2.gz KAZCSULIWGAODN-GFCCVEGCSA-N 0 3 284.316 0.263 20 5 CCBDHN CNCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420411791 389998535 /nfs/dbraw/zinc/99/85/35/389998535.db2.gz CCYSFCGMQMIBKW-UHFFFAOYSA-N 0 3 287.341 0.276 20 5 CCBDHN CN(C)CCN(C)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420603354 390016138 /nfs/dbraw/zinc/01/61/38/390016138.db2.gz QAVOJXXZLUFYSI-UHFFFAOYSA-N 0 3 266.301 0.692 20 5 CCBDHN C[C@]1(CO)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000544760525 390310495 /nfs/dbraw/zinc/31/04/95/390310495.db2.gz HNTMYTIIOATYCB-LLVKDONJSA-N 0 3 254.290 0.638 20 5 CCBDHN CC1(C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000546048178 390344096 /nfs/dbraw/zinc/34/40/96/390344096.db2.gz RMQZVKWDQJXZSU-SNVBAGLBSA-N 0 3 254.290 0.637 20 5 CCBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000565548546 390524598 /nfs/dbraw/zinc/52/45/98/390524598.db2.gz HVUXUOJQQKDWGR-SECBINFHSA-N 0 3 293.327 0.569 20 5 CCBDHN CCN(C)C[C@H](O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000571581319 390743648 /nfs/dbraw/zinc/74/36/48/390743648.db2.gz LPRWECZIIJZLNC-NSHDSACASA-N 0 3 284.312 0.779 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000577814040 390845782 /nfs/dbraw/zinc/84/57/82/390845782.db2.gz NWDDRJZVFAMXOA-GXTWGEPZSA-N 0 3 280.324 0.812 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(C)C1 ZINC000534309499 390892485 /nfs/dbraw/zinc/89/24/85/390892485.db2.gz GYVJHXLSWQASPZ-SECBINFHSA-N 0 3 281.316 0.400 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)NC[C@@H]2C)n1 ZINC000578647900 390896771 /nfs/dbraw/zinc/89/67/71/390896771.db2.gz NGPIIRQKUZDWKJ-BDAKNGLRSA-N 0 3 281.316 0.634 20 5 CCBDHN COc1ccc(CNC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358165220 533669652 /nfs/dbraw/zinc/66/96/52/533669652.db2.gz KYBQTPWFNITZGJ-AWEZNQCLSA-N 0 3 295.339 0.760 20 5 CCBDHN CCN1CCC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000341797381 130035435 /nfs/dbraw/zinc/03/54/35/130035435.db2.gz GPHXGYWHVIPRLK-QMMMGPOBSA-N 0 3 266.305 0.694 20 5 CCBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000548420020 286034844 /nfs/dbraw/zinc/03/48/44/286034844.db2.gz ZIXLCPUVTAUNQK-VIFPVBQESA-N 0 3 279.300 0.628 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2C[C@H](CO)[C@H](O)C2)cc1 ZINC000317379561 260206925 /nfs/dbraw/zinc/20/69/25/260206925.db2.gz HIFWOLIHUPOQGN-DGCLKSJQSA-N 0 3 266.297 0.422 20 5 CCBDHN C[C@@H]1CCN(C)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000354087378 274300617 /nfs/dbraw/zinc/30/06/17/274300617.db2.gz ZUCRDCMZEDVBGZ-MRVPVSSYSA-N 0 3 266.305 0.328 20 5 CCBDHN CNc1nc(C(=O)NC[C@@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000454643427 277303988 /nfs/dbraw/zinc/30/39/88/277303988.db2.gz OCPRUMZARJHIFD-MRVPVSSYSA-N 0 3 281.316 0.711 20 5 CCBDHN CCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000386488485 327353617 /nfs/dbraw/zinc/35/36/17/327353617.db2.gz XEUSAHIGHMDVHD-SNVBAGLBSA-N 0 3 255.274 0.069 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]3OCC[C@@H]3C2)n1 ZINC000580441524 330135758 /nfs/dbraw/zinc/13/57/58/330135758.db2.gz YLLSAENYUDVDLH-MNOVXSKESA-N 0 3 266.301 0.902 20 5 CCBDHN N[C@H]1C[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000575935143 335133587 /nfs/dbraw/zinc/13/35/87/335133587.db2.gz GXPKVXAMOZUKST-SCZZXKLOSA-N 0 3 294.286 0.482 20 5 CCBDHN Cc1cc(NC[C@@H]2CCCCN2CCO)ncc1[N+](=O)[O-] ZINC000450606978 534033015 /nfs/dbraw/zinc/03/30/15/534033015.db2.gz AUUKJDOXVUGVQC-LBPRGKRZSA-N 0 3 294.355 0.979 20 5 CCBDHN COc1ccc(NC(=O)COC2CNC2)cc1[N+](=O)[O-] ZINC000423732702 534084293 /nfs/dbraw/zinc/08/42/93/534084293.db2.gz ZSERFJDVGCQCKF-UHFFFAOYSA-N 0 3 281.268 0.530 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCO[C@@H]1C1CC1 ZINC000364781152 527486615 /nfs/dbraw/zinc/48/66/15/527486615.db2.gz GIWDWDNCNAFAHG-TZMCWYRMSA-N 0 3 293.323 0.914 20 5 CCBDHN CCN(C)C(=O)[C@@H](NCCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000451313623 527763209 /nfs/dbraw/zinc/76/32/09/527763209.db2.gz NAZZKQKZFOWLBC-LBPRGKRZSA-N 0 3 297.359 0.884 20 5 CCBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356210228 536445935 /nfs/dbraw/zinc/44/59/35/536445935.db2.gz HCTBJVLKUOOYFS-JTQLQIEISA-N 0 3 295.343 0.742 20 5 CCBDHN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCCCC1 ZINC000766812608 581581956 /nfs/dbraw/zinc/58/19/56/581581956.db2.gz JKJJMQDYYGQBDV-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN NC(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776271849 582066222 /nfs/dbraw/zinc/06/62/22/582066222.db2.gz IPYWEVSYDAOUHW-ZDUSSCGKSA-N 0 3 293.323 0.826 20 5 CCBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1 ZINC000856489732 614270734 /nfs/dbraw/zinc/27/07/34/614270734.db2.gz QFZJESKUZHKTGY-LLVKDONJSA-N 0 3 293.327 0.642 20 5 CCBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000874842588 616198365 /nfs/dbraw/zinc/19/83/65/616198365.db2.gz JACRHIIWVDRYLI-WDEREUQCSA-N 0 3 293.327 0.486 20 5 CCBDHN COCCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000870376763 616757294 /nfs/dbraw/zinc/75/72/94/616757294.db2.gz MKTVWCZUBMRUJO-QMMMGPOBSA-N 0 3 271.273 0.660 20 5 CCBDHN CO[C@H](C)C(=N)NOCc1onc(C)c1[N+](=O)[O-] ZINC000853673395 617007550 /nfs/dbraw/zinc/00/75/50/617007550.db2.gz CSWUDHVUMQUIOH-ZCFIWIBFSA-N 0 3 258.234 0.925 20 5 CCBDHN CC(COC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)[N+](=O)[O-] ZINC000813103323 624647577 /nfs/dbraw/zinc/64/75/77/624647577.db2.gz OIIAAXDERVSJDX-HLTSFMKQSA-N 0 3 258.274 0.487 20 5 CCBDHN CC(COC(=O)c1ccccc1OCC(N)=O)[N+](=O)[O-] ZINC000813115598 624679128 /nfs/dbraw/zinc/67/91/28/624679128.db2.gz WBOFRLMYWLZLEL-QMMMGPOBSA-N 0 3 282.252 0.373 20 5 CCBDHN CC(COC(=O)CC1(CS(C)(=O)=O)CC1)[N+](=O)[O-] ZINC000813102844 641022355 /nfs/dbraw/zinc/02/23/55/641022355.db2.gz KEAAIIWRIJZZHC-MRVPVSSYSA-N 0 3 279.314 0.410 20 5 CCBDHN CC(COC(=O)CCC(=O)c1cnn(C)c1)[N+](=O)[O-] ZINC000813102830 641022648 /nfs/dbraw/zinc/02/26/48/641022648.db2.gz WHQFOLZYFIHEKY-QMMMGPOBSA-N 0 3 269.257 0.591 20 5 CCBDHN CC(COC(=O)c1cnc2nccnc2c1)[N+](=O)[O-] ZINC000813106446 641023514 /nfs/dbraw/zinc/02/35/14/641023514.db2.gz CXSAVGIYRQIXGR-SSDOTTSWSA-N 0 3 262.225 0.847 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N(C2CC2)C1)[N+](=O)[O-] ZINC000813108710 641023555 /nfs/dbraw/zinc/02/35/55/641023555.db2.gz KVXKGJJUSCETCC-HTQZYQBOSA-N 0 3 256.258 0.206 20 5 CCBDHN Cc1c(CCC(=O)OCC(C)[N+](=O)[O-])cnn1C ZINC000813107093 641023754 /nfs/dbraw/zinc/02/37/54/641023754.db2.gz JPCYOTUNHHAPOG-MRVPVSSYSA-N 0 3 255.274 0.870 20 5 CCBDHN CC(COC(=O)CO[C@H](C)c1nccn1C)[N+](=O)[O-] ZINC000813115371 641024446 /nfs/dbraw/zinc/02/44/46/641024446.db2.gz QDWOQRNZFCQMGZ-DTWKUNHWSA-N 0 3 271.273 0.706 20 5 CCBDHN CC(COC(=O)[C@H](C)NC(=O)C1CCCC1)[N+](=O)[O-] ZINC000813110662 641024595 /nfs/dbraw/zinc/02/45/95/641024595.db2.gz HEBQBPDKBRLINJ-BDAKNGLRSA-N 0 3 272.301 0.890 20 5 CCBDHN CC(COC(=O)CNC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813110520 641024986 /nfs/dbraw/zinc/02/49/86/641024986.db2.gz CLRMMWOHJIYXNE-SECBINFHSA-N 0 3 266.253 0.625 20 5 CCBDHN CC(COC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N+](=O)[O-] ZINC000816091257 641140346 /nfs/dbraw/zinc/14/03/46/641140346.db2.gz PNLOYSIKJAQNGB-LPEHRKFASA-N 0 3 296.279 0.146 20 5 CCBDHN C[S@@](=O)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032208 641375336 /nfs/dbraw/zinc/37/53/36/641375336.db2.gz DDTNXTGFUWJHKB-ADLMAVQZSA-N 0 3 272.326 0.596 20 5 CCBDHN CC(COC(=O)/C=C/COC1CCOCC1)[N+](=O)[O-] ZINC000870377044 645987653 /nfs/dbraw/zinc/98/76/53/645987653.db2.gz NYRTZJMYCQZLRS-VMZHVLLKSA-N 0 3 273.285 0.947 20 5 CCBDHN Cn1cc(CN[C@H](CCO)C2CC2)c([N+](=O)[O-])n1 ZINC000878421109 646907787 /nfs/dbraw/zinc/90/77/87/646907787.db2.gz XPSMPQZGGUGKRS-SNVBAGLBSA-N 0 3 254.290 0.579 20 5 CCBDHN O=[N+]([O-])CCN1CC2(CCOCC2)CC[C@@H]1CO ZINC000931172508 648953522 /nfs/dbraw/zinc/95/35/22/648953522.db2.gz WLNINVVDXKTIQH-LLVKDONJSA-N 0 3 258.318 0.517 20 5 CCBDHN CCOCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266483794 790779202 /nfs/dbraw/zinc/77/92/02/790779202.db2.gz FESZZCKCJZNPMW-YVECIDJPSA-N 0 3 297.355 0.363 20 5 CCBDHN Cc1ncccc1CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267194284 791654824 /nfs/dbraw/zinc/65/48/24/791654824.db2.gz MGIBTXHMLZVWSJ-CHWSQXEVSA-N 0 3 292.339 0.603 20 5 CCBDHN COc1cc(N2CCNC3(CC3)C2)ncc1[N+](=O)[O-] ZINC001158936841 801724682 /nfs/dbraw/zinc/72/46/82/801724682.db2.gz SQKBXMLUEJRPGB-UHFFFAOYSA-N 0 3 264.285 0.941 20 5 CCBDHN COc1nc(N[C@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159496000 801820101 /nfs/dbraw/zinc/82/01/01/801820101.db2.gz HSZQQTBZADZFRR-PSASIEDQSA-N 0 3 282.300 0.787 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H](C)[C@@H]1CNCCO1 ZINC001159500318 801824924 /nfs/dbraw/zinc/82/49/24/801824924.db2.gz RUMHHRICWPGGDV-KOLCDFICSA-N 0 3 282.300 0.325 20 5 CCBDHN Cc1nc(N[C@H](C)[C@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001159502920 801828121 /nfs/dbraw/zinc/82/81/21/801828121.db2.gz QTDBAIFRYABAOR-PSASIEDQSA-N 0 3 267.289 0.482 20 5 CCBDHN COC(=O)c1cc(C)nc(-n2nccc2CN)c1[N+](=O)[O-] ZINC001162592499 802372716 /nfs/dbraw/zinc/37/27/16/802372716.db2.gz HKIBAVOQLKETHG-UHFFFAOYSA-N 0 3 291.267 0.729 20 5 CCBDHN NCc1ccnn1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001162597952 802375504 /nfs/dbraw/zinc/37/55/04/802375504.db2.gz WSEXBWVVDVALEI-UHFFFAOYSA-N 0 3 273.252 0.483 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165270620 802809590 /nfs/dbraw/zinc/80/95/90/802809590.db2.gz IAWMUFYOGDPTQC-JQWIXIFHSA-N 0 3 294.311 0.104 20 5 CCBDHN COCCN1CCC(Oc2cc[n+]([O-])cc2[N+](=O)[O-])CC1 ZINC001229452276 805536152 /nfs/dbraw/zinc/53/61/52/805536152.db2.gz ONTSDQRKKNHNAZ-UHFFFAOYSA-N 0 3 297.311 0.718 20 5 CCBDHN NCc1cnnn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573972 808261004 /nfs/dbraw/zinc/26/10/04/808261004.db2.gz FCIMHZPDLJSZFW-LLVKDONJSA-N 0 3 259.269 0.985 20 5 CCBDHN Cc1c(C(=O)N[C@@H]2COC3(CNC3)C2)cccc1[N+](=O)[O-] ZINC001263156407 809462802 /nfs/dbraw/zinc/46/28/02/809462802.db2.gz VYJLQQRRIFFPNR-JTQLQIEISA-N 0 3 291.307 0.764 20 5 CCBDHN N=c1ncc(CN)cn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997263 836094155 /nfs/dbraw/zinc/09/41/55/836094155.db2.gz YIEXPHGTDOGKHF-PSASIEDQSA-N 0 3 251.290 0.439 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN([C@H]3CCOC3)CC2)C1 ZINC001169005934 836094644 /nfs/dbraw/zinc/09/46/44/836094644.db2.gz DJCBZLRYSRHQPD-MCIONIFRSA-N 0 3 283.372 0.838 20 5 CCBDHN O=[N+]([O-])c1cc2c(cc1NCC1OCCO1)CNC2 ZINC001169067884 836124226 /nfs/dbraw/zinc/12/42/26/836124226.db2.gz YPGVXKAKTOLYJX-UHFFFAOYSA-N 0 3 265.269 0.983 20 5 CCBDHN C[C@@H](N)c1ccn(-c2cc([N+](=O)[O-])c(=O)n(C)c2)n1 ZINC001169231824 836166915 /nfs/dbraw/zinc/16/69/15/836166915.db2.gz UGWLFRXMDXPDGN-SSDOTTSWSA-N 0 3 263.257 0.499 20 5 CCBDHN C/C=C(\C)C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001156336313 836324136 /nfs/dbraw/zinc/32/41/36/836324136.db2.gz IMMLXOFXFAYWHS-ONNFQVAWSA-N 0 3 295.343 0.890 20 5 CCBDHN C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CNCCO1 ZINC001170557912 838074879 /nfs/dbraw/zinc/07/48/79/838074879.db2.gz ITSAVJMFZFXGBH-WPRPVWTQSA-N 0 3 252.274 0.779 20 5 CCBDHN Cc1nc(Cl)nc(-n2nncc2CN)c1[N+](=O)[O-] ZINC001158420147 838151173 /nfs/dbraw/zinc/15/11/73/838151173.db2.gz FAJHQSHOVHQQBG-UHFFFAOYSA-N 0 3 269.652 0.386 20 5 CCBDHN C[C@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170575949 838165179 /nfs/dbraw/zinc/16/51/79/838165179.db2.gz YISOXJJQVOZNCK-OIBJUYFYSA-N 0 3 286.719 0.854 20 5 CCBDHN C[C@H](Nc1cc([N+](=O)[O-])cc[n+]1[O-])[C@H]1CNCCO1 ZINC001159488406 839298024 /nfs/dbraw/zinc/29/80/24/839298024.db2.gz CVKKDBWGPZJVPV-WCBMZHEXSA-N 0 3 268.273 0.017 20 5 CCBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)CCN ZINC001173214884 842017830 /nfs/dbraw/zinc/01/78/30/842017830.db2.gz RFKGOCMZOPYUHS-SECBINFHSA-N 0 3 287.341 0.404 20 5 CCBDHN C[C@](CO)(NCCc1cn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001196910062 846818871 /nfs/dbraw/zinc/81/88/71/846818871.db2.gz ZOTGYKUARGOWLR-CYBMUJFWSA-N 0 3 291.311 0.753 20 5 CCBDHN Cc1cc(CNCCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC001319455874 910157068 /nfs/dbraw/zinc/15/70/68/910157068.db2.gz PGAMWRXBOXIYNV-UHFFFAOYSA-N 0 3 250.262 0.613 20 5 CCBDHN COCC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333632523 919056754 /nfs/dbraw/zinc/05/67/54/919056754.db2.gz ZNRMXNGLFDBJOI-CYBMUJFWSA-N 0 3 293.323 0.843 20 5 CCBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001342553320 923000467 /nfs/dbraw/zinc/00/04/67/923000467.db2.gz JITQHBUTKYCBRJ-GARJFASQSA-N 0 3 295.343 0.779 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)CN[C@H](C)[C@@H]1C ZINC001342629454 923029656 /nfs/dbraw/zinc/02/96/56/923029656.db2.gz LYQIOSSWNRWTMT-BBBLOLIVSA-N 0 3 295.343 0.697 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CNC1 ZINC000090289361 349435624 /nfs/dbraw/zinc/43/56/24/349435624.db2.gz SJFPCFVNXZQCNX-UHFFFAOYSA-N 0 3 271.298 0.153 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)C1CC1 ZINC000090551964 349438875 /nfs/dbraw/zinc/43/88/75/349438875.db2.gz MHXJYHGNTXIWAY-GFCCVEGCSA-N 0 3 281.312 0.459 20 5 CCBDHN Cc1nn(C)c(C(=O)N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000186801111 282255197 /nfs/dbraw/zinc/25/51/97/282255197.db2.gz JXDWYMJNRIJMJJ-UHFFFAOYSA-N 0 3 295.343 0.803 20 5 CCBDHN C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N(C)C1CC1 ZINC000119151723 349922097 /nfs/dbraw/zinc/92/20/97/349922097.db2.gz XYSJXQJITWPZAA-MRVPVSSYSA-N 0 3 281.316 0.541 20 5 CCBDHN Cn1cc(CN2CCN(CC3CC3)CC2)c([N+](=O)[O-])n1 ZINC000602446192 362621292 /nfs/dbraw/zinc/62/12/92/362621292.db2.gz XPJIUYSYECPKFE-UHFFFAOYSA-N 0 3 279.344 0.856 20 5 CCBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000339244384 215037559 /nfs/dbraw/zinc/03/75/59/215037559.db2.gz DHSXHUAWNNWILC-UHFFFAOYSA-N 0 3 284.316 0.241 20 5 CCBDHN CN(C)[C@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270749535 190798187 /nfs/dbraw/zinc/79/81/87/190798187.db2.gz BXMXKAIMOUGEFQ-VIFPVBQESA-N 0 3 281.316 0.495 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C(=O)N(C)C)C1 ZINC000602842409 362831435 /nfs/dbraw/zinc/83/14/35/362831435.db2.gz XRTBQCPBAWNTOS-NSHDSACASA-N 0 3 295.343 0.510 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN1C ZINC000343310933 137127464 /nfs/dbraw/zinc/12/74/64/137127464.db2.gz XMQLYZUOUISTHG-SFYZADRCSA-N 0 3 267.289 0.530 20 5 CCBDHN O=C(CN1CCNCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668476 348198596 /nfs/dbraw/zinc/19/85/96/348198596.db2.gz SKKNMQAWJNBGHP-UHFFFAOYSA-N 0 3 278.312 0.116 20 5 CCBDHN C[C@@]1(CO)C[C@@H](O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000602906761 362880343 /nfs/dbraw/zinc/88/03/43/362880343.db2.gz KBEMAIYWHCQPFD-OCCSQVGLSA-N 0 3 296.323 0.791 20 5 CCBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCN(C2CC2)C1 ZINC000347020996 137315836 /nfs/dbraw/zinc/31/58/36/137315836.db2.gz ZEFLHMRRUPGGPZ-NSHDSACASA-N 0 3 293.327 0.486 20 5 CCBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CCCNCC1 ZINC000050499157 348476507 /nfs/dbraw/zinc/47/65/07/348476507.db2.gz YDGRRMWDBDFLTG-UHFFFAOYSA-N 0 3 279.296 0.796 20 5 CCBDHN CN[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000054076363 348541436 /nfs/dbraw/zinc/54/14/36/348541436.db2.gz ROORLTANUSQOPR-JTQLQIEISA-N 0 3 293.327 0.246 20 5 CCBDHN CNCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000054244480 348545879 /nfs/dbraw/zinc/54/58/79/348545879.db2.gz CVLGGWXMEUNEBM-UHFFFAOYSA-N 0 3 287.341 0.709 20 5 CCBDHN C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N(C)C1CC1 ZINC000057700436 348614653 /nfs/dbraw/zinc/61/46/53/348614653.db2.gz FQSVCRVASGLNIO-JTQLQIEISA-N 0 3 295.343 0.780 20 5 CCBDHN CO[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075712925 349047894 /nfs/dbraw/zinc/04/78/94/349047894.db2.gz ZSTSZTWPNQAKSC-RYUDHWBXSA-N 0 3 284.316 0.263 20 5 CCBDHN CN1C(=O)CC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000090029991 349422886 /nfs/dbraw/zinc/42/28/86/349422886.db2.gz MDYNXJPNYSBOOK-GFCCVEGCSA-N 0 3 291.307 0.874 20 5 CCBDHN COC[C@@](C)(CCO)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000090552098 180002801 /nfs/dbraw/zinc/00/28/01/180002801.db2.gz PLVNYVAIXIVZMV-CYBMUJFWSA-N 0 3 299.327 0.134 20 5 CCBDHN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(C)C1 ZINC000153937847 350568251 /nfs/dbraw/zinc/56/82/51/350568251.db2.gz YJUQCODFDBRVMG-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN NCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161975655 350732777 /nfs/dbraw/zinc/73/27/77/350732777.db2.gz MZGAPAYQOGVQBE-UHFFFAOYSA-N 0 3 279.296 0.923 20 5 CCBDHN CO[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174844681 351106624 /nfs/dbraw/zinc/10/66/24/351106624.db2.gz IVTZLPLANSBTRC-NSHDSACASA-N 0 3 254.290 0.902 20 5 CCBDHN CC(C)N1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000271423893 191130045 /nfs/dbraw/zinc/13/00/45/191130045.db2.gz QMRGINVWUCITNW-UHFFFAOYSA-N 0 3 295.343 0.885 20 5 CCBDHN CC1(C)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000175428142 351129276 /nfs/dbraw/zinc/12/92/76/351129276.db2.gz HGWUEYRMGMVGLN-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN CCN(CC)CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000192823741 351799766 /nfs/dbraw/zinc/79/97/66/351799766.db2.gz OOBPUMAZEUUVHE-UHFFFAOYSA-N 0 3 282.300 0.197 20 5 CCBDHN O=[N+]([O-])c1cc(CNC[C@]2(O)CCOC2)cs1 ZINC000229640641 352095117 /nfs/dbraw/zinc/09/51/17/352095117.db2.gz ITUINJAVLFBWLE-SNVBAGLBSA-N 0 3 258.299 0.897 20 5 CCBDHN O=C(CNC[C@@H]1CCCO1)NCc1ccc([N+](=O)[O-])cc1 ZINC000237902013 352288540 /nfs/dbraw/zinc/28/85/40/352288540.db2.gz UYUNOGYMQRUTTK-ZDUSSCGKSA-N 0 3 293.323 0.980 20 5 CCBDHN CS[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000272088576 353035324 /nfs/dbraw/zinc/03/53/24/353035324.db2.gz XPBSVZVMAPDUAU-NEPJUHHUSA-N 0 3 299.400 0.769 20 5 CCBDHN CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000270887868 352999587 /nfs/dbraw/zinc/99/95/87/352999587.db2.gz KXOWXZIMNPOOFN-GXSJLCMTSA-N 0 3 254.290 0.494 20 5 CCBDHN CN(C)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272459859 353066695 /nfs/dbraw/zinc/06/66/95/353066695.db2.gz DIIXWKIRLLVHLG-UHFFFAOYSA-N 0 3 295.324 0.891 20 5 CCBDHN Cc1n[nH]c(C(=O)N2C[C@@H](C)NC[C@H]2C)c1[N+](=O)[O-] ZINC000272604636 353078738 /nfs/dbraw/zinc/07/87/38/353078738.db2.gz RJLFAAJWYVJNGV-RNFRBKRXSA-N 0 3 267.289 0.449 20 5 CCBDHN Cc1[nH]nc(C(=O)N2C[C@@H](C)NC[C@H]2C)c1[N+](=O)[O-] ZINC000272604636 353078741 /nfs/dbraw/zinc/07/87/41/353078741.db2.gz RJLFAAJWYVJNGV-RNFRBKRXSA-N 0 3 267.289 0.449 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000153622225 188093036 /nfs/dbraw/zinc/09/30/36/188093036.db2.gz QGMDBILDCQFGJD-LLVKDONJSA-N 0 3 295.343 0.652 20 5 CCBDHN CC[C@@H]1CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292320497 198243111 /nfs/dbraw/zinc/24/31/11/198243111.db2.gz FGTMALBZMQYFSN-MWLCHTKSSA-N 0 3 254.290 0.637 20 5 CCBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cn[nH]c1 ZINC000275030556 353180980 /nfs/dbraw/zinc/18/09/80/353180980.db2.gz AIXBGHZOWHLTAJ-VIFPVBQESA-N 0 3 277.284 0.830 20 5 CCBDHN CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000279988358 353330475 /nfs/dbraw/zinc/33/04/75/353330475.db2.gz ZZXYDASOLRZECX-SNVBAGLBSA-N 0 3 254.290 0.494 20 5 CCBDHN CNC(=O)[C@]1(C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000280495132 353365124 /nfs/dbraw/zinc/36/51/24/353365124.db2.gz AXEPPCUMEIIYCJ-GFCCVEGCSA-N 0 3 281.316 0.249 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC(N(C)C)C1 ZINC000280635980 353373352 /nfs/dbraw/zinc/37/33/52/353373352.db2.gz CWSHXUSPLHZTPT-UHFFFAOYSA-N 0 3 253.306 0.870 20 5 CCBDHN CN1CC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290684394 353742510 /nfs/dbraw/zinc/74/25/10/353742510.db2.gz SUPWNYJFXPONQF-MRVPVSSYSA-N 0 3 279.300 0.452 20 5 CCBDHN Cc1n[nH]c(C(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000331247780 354504432 /nfs/dbraw/zinc/50/44/32/354504432.db2.gz WARVQEGDBZXXQE-SECBINFHSA-N 0 3 281.316 0.793 20 5 CCBDHN Cc1[nH]nc(C(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000331247780 354504437 /nfs/dbraw/zinc/50/44/37/354504437.db2.gz WARVQEGDBZXXQE-SECBINFHSA-N 0 3 281.316 0.793 20 5 CCBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CNCCO1 ZINC000423985126 235130659 /nfs/dbraw/zinc/13/06/59/235130659.db2.gz CTCIOSAIBGINIX-GFCCVEGCSA-N 0 3 295.295 0.078 20 5 CCBDHN N[C@@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000424146058 235162406 /nfs/dbraw/zinc/16/24/06/235162406.db2.gz OVGPWAKQYNPTKC-INTQDDNPSA-N 0 3 291.311 0.350 20 5 CCBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC000361064484 138020193 /nfs/dbraw/zinc/02/01/93/138020193.db2.gz DVBVNSAKRYWSGU-HTQZYQBOSA-N 0 3 266.305 0.692 20 5 CCBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000608891304 363467611 /nfs/dbraw/zinc/46/76/11/363467611.db2.gz FVNBTSNHESONRM-UHFFFAOYSA-N 0 3 284.316 0.241 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@](C)(O)CO ZINC000619464269 366262891 /nfs/dbraw/zinc/26/28/91/366262891.db2.gz JRKPPZLQMZSQTG-GFCCVEGCSA-N 0 3 254.286 0.736 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000560636857 291110252 /nfs/dbraw/zinc/11/02/52/291110252.db2.gz ZMQLEJFYRBLBNZ-STQMWFEESA-N 0 3 293.323 0.650 20 5 CCBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356147744 356711562 /nfs/dbraw/zinc/71/15/62/356711562.db2.gz HSFZVCIYYNBXLC-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])o1 ZINC000360108480 356948296 /nfs/dbraw/zinc/94/82/96/356948296.db2.gz WGHVKWAFCGHRSN-VHSXEESVSA-N 0 3 295.295 0.781 20 5 CCBDHN CCNC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373229408 357383405 /nfs/dbraw/zinc/38/34/05/357383405.db2.gz KWAQWCFOVWXXMN-UHFFFAOYSA-N 0 3 295.343 0.954 20 5 CCBDHN CC[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1O ZINC000400031720 357785661 /nfs/dbraw/zinc/78/56/61/357785661.db2.gz IXPIQNARRUIIJV-WDEREUQCSA-N 0 3 268.317 0.802 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCO[C@H]2CCN(C)C[C@H]21 ZINC000408038267 357880851 /nfs/dbraw/zinc/88/08/51/357880851.db2.gz LVIAVQNZQIDULU-PWSUYJOCSA-N 0 3 295.343 0.233 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CC[C@H]2O)c1 ZINC000574084421 359027666 /nfs/dbraw/zinc/02/76/66/359027666.db2.gz MHQKZNVFQMXQDW-RAIGVLPGSA-N 0 3 282.296 0.447 20 5 CCBDHN N[C@@H](CC(F)F)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000579830381 359050286 /nfs/dbraw/zinc/05/02/86/359050286.db2.gz ZTRKEIWMBHQGJD-ZETCQYMHSA-N 0 3 299.237 0.814 20 5 CCBDHN CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000573574258 358979963 /nfs/dbraw/zinc/97/99/63/358979963.db2.gz PUWZQVMBKZWFOM-UHFFFAOYSA-N 0 3 267.333 0.817 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H](CO)CN(C)C ZINC000589102053 359358891 /nfs/dbraw/zinc/35/88/91/359358891.db2.gz XAVNQGSSOMUXKN-SECBINFHSA-N 0 3 254.290 0.633 20 5 CCBDHN CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000590702204 359508966 /nfs/dbraw/zinc/50/89/66/359508966.db2.gz UMIOCKMPSYKMRU-VXGBXAGGSA-N 0 3 278.312 0.899 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCNCC2(C)C)n1 ZINC000591678338 359636640 /nfs/dbraw/zinc/63/66/40/359636640.db2.gz PARVXLITIFQHNX-UHFFFAOYSA-N 0 3 281.316 0.635 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H](F)CN2)n1 ZINC000591686179 359638402 /nfs/dbraw/zinc/63/84/02/359638402.db2.gz OPZIPCUQINPMCX-YUMQZZPRSA-N 0 3 285.279 0.241 20 5 CCBDHN CC[C@@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000591850173 359664882 /nfs/dbraw/zinc/66/48/82/359664882.db2.gz YBVRGJKEHSKURI-GFCCVEGCSA-N 0 3 294.355 0.783 20 5 CCBDHN CC[C@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592136396 359764203 /nfs/dbraw/zinc/76/42/03/359764203.db2.gz RHIFDPPGMZOBLN-NSHDSACASA-N 0 3 267.285 0.827 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000611166292 363669414 /nfs/dbraw/zinc/66/94/14/363669414.db2.gz COCUMKYFRXZZTC-LLVKDONJSA-N 0 3 295.343 0.994 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](C(F)F)C2)c1 ZINC000611180051 363674642 /nfs/dbraw/zinc/67/46/42/363674642.db2.gz QKSAZGSRQIFAIT-PSASIEDQSA-N 0 3 290.270 0.739 20 5 CCBDHN CC1(C)CN[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592562731 359891100 /nfs/dbraw/zinc/89/11/00/359891100.db2.gz LAGOAAAABAHQSR-LBPRGKRZSA-N 0 3 290.323 0.873 20 5 CCBDHN C[C@H](CCO)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000593109370 360040784 /nfs/dbraw/zinc/04/07/84/360040784.db2.gz XTXFKEMAIQEVTA-SNVBAGLBSA-N 0 3 269.301 0.459 20 5 CCBDHN [NH3+]C[C@@H](O)CCc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594651319 360350500 /nfs/dbraw/zinc/35/05/00/360350500.db2.gz BSFIBGAOLCPVMN-JTQLQIEISA-N 0 3 293.283 0.133 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CN)C(F)(F)F ZINC000594452123 360316436 /nfs/dbraw/zinc/31/64/36/360316436.db2.gz ZZKXOCRAXJGOGA-MRVPVSSYSA-N 0 3 292.217 0.918 20 5 CCBDHN Cc1cc(C(=O)N2CCOC3(CNC3)C2)ccc1[N+](=O)[O-] ZINC000596097772 360794187 /nfs/dbraw/zinc/79/41/87/360794187.db2.gz LCJKZTKZKYAEMC-UHFFFAOYSA-N 0 3 291.307 0.718 20 5 CCBDHN CN(C)C[C@H](CO)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000596245479 360851969 /nfs/dbraw/zinc/85/19/69/360851969.db2.gz ZQZDYQRZMZHJPI-SSDOTTSWSA-N 0 3 274.708 0.400 20 5 CCBDHN CCN1CCCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000596268197 360860137 /nfs/dbraw/zinc/86/01/37/360860137.db2.gz GCDWXIVPANHQBC-VIFPVBQESA-N 0 3 280.332 0.718 20 5 CCBDHN C[C@H](CO)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179513964 189198717 /nfs/dbraw/zinc/19/87/17/189198717.db2.gz FTGYYZOYYCSUJT-SKDRFNHKSA-N 0 3 254.286 0.941 20 5 CCBDHN CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCN(C)C1 ZINC000597946671 361288077 /nfs/dbraw/zinc/28/80/77/361288077.db2.gz RSQKTNWYGDFECQ-QMMMGPOBSA-N 0 3 267.289 0.484 20 5 CCBDHN CN(C)CC(C)(C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598739574 361503966 /nfs/dbraw/zinc/50/39/66/361503966.db2.gz FUETWZGQZJLRQU-UHFFFAOYSA-N 0 3 255.278 0.388 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCN2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC000599531199 361728432 /nfs/dbraw/zinc/72/84/32/361728432.db2.gz MMDHRBUGKGBLAX-RYUDHWBXSA-N 0 3 296.323 0.506 20 5 CCBDHN CCN1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000194653591 189665936 /nfs/dbraw/zinc/66/59/36/189665936.db2.gz VVSDXTGJIQFDGM-SNVBAGLBSA-N 0 3 281.316 0.392 20 5 CCBDHN C[C@@H]1CCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000565191627 291355597 /nfs/dbraw/zinc/35/55/97/291355597.db2.gz YCQZQURYSQTMTP-SECBINFHSA-N 0 3 293.327 0.474 20 5 CCBDHN CCN1CCC(N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000330642560 203071810 /nfs/dbraw/zinc/07/18/10/203071810.db2.gz XSZWOIRNLNRJAP-UHFFFAOYSA-N 0 3 296.331 0.129 20 5 CCBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000574465156 335022210 /nfs/dbraw/zinc/02/22/10/335022210.db2.gz DBAPEMKOJZMHLV-UWVGGRQHSA-N 0 3 291.311 0.046 20 5 CCBDHN CC(C)N1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000263932476 190085765 /nfs/dbraw/zinc/08/57/65/190085765.db2.gz AYLPQKWBDBYFMQ-QMMMGPOBSA-N 0 3 266.305 0.862 20 5 CCBDHN Cc1n[nH]c(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264318385 190103489 /nfs/dbraw/zinc/10/34/89/190103489.db2.gz WUSIVHPOJYZVIP-UHFFFAOYSA-N 0 3 281.316 0.793 20 5 CCBDHN Cc1[nH]nc(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264318385 190103490 /nfs/dbraw/zinc/10/34/90/190103490.db2.gz WUSIVHPOJYZVIP-UHFFFAOYSA-N 0 3 281.316 0.793 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC(CO)CC2)c1 ZINC000266011986 190223176 /nfs/dbraw/zinc/22/31/76/190223176.db2.gz NUAPKJATJWWAQB-UHFFFAOYSA-N 0 3 254.290 0.496 20 5 CCBDHN COC(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266928075 190291115 /nfs/dbraw/zinc/29/11/15/190291115.db2.gz RPBKURAIJZOITG-VIFPVBQESA-N 0 3 268.273 0.286 20 5 CCBDHN CO[C@H](CN)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000289902222 197524142 /nfs/dbraw/zinc/52/41/42/197524142.db2.gz JEOXXWIILLFVHK-LLVKDONJSA-N 0 3 267.285 0.227 20 5 CCBDHN C[C@H](O)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305196138 285170627 /nfs/dbraw/zinc/17/06/27/285170627.db2.gz TZIKRKRNIZLHEJ-DMDPSCGWSA-N 0 3 298.343 0.245 20 5 CCBDHN COC(=O)CC[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000288591649 197122139 /nfs/dbraw/zinc/12/21/39/197122139.db2.gz JQAMKSXREHZPOT-JTQLQIEISA-N 0 3 295.295 0.492 20 5 CCBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000525804047 285319047 /nfs/dbraw/zinc/31/90/47/285319047.db2.gz GYNABOSWCIVDGD-SECBINFHSA-N 0 3 266.301 0.995 20 5 CCBDHN CN1CCC(CC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000291524730 388924914 /nfs/dbraw/zinc/92/49/14/388924914.db2.gz ABPZTJMPHVWKNW-UHFFFAOYSA-N 0 3 295.343 0.639 20 5 CCBDHN NC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000083463217 389002724 /nfs/dbraw/zinc/00/27/24/389002724.db2.gz SXJREKUMPWGCIW-UHFFFAOYSA-N 0 3 264.285 0.614 20 5 CCBDHN CN(C)C1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302155847 389064196 /nfs/dbraw/zinc/06/41/96/389064196.db2.gz WBODQZPVSJJVBA-UHFFFAOYSA-N 0 3 262.273 0.388 20 5 CCBDHN C[C@H]1CCN(C)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357539580 389135885 /nfs/dbraw/zinc/13/58/85/389135885.db2.gz SLSNNILBWJSBSB-VIFPVBQESA-N 0 3 293.327 0.619 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCNCC2)s1 ZINC000237969746 389197960 /nfs/dbraw/zinc/19/79/60/389197960.db2.gz LHWCHNWZNWDWDI-UHFFFAOYSA-N 0 3 291.354 0.640 20 5 CCBDHN C[C@@H]1C[C@@H](O)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340911249 389165863 /nfs/dbraw/zinc/16/58/63/389165863.db2.gz PDTOJBJZLVAKNB-RTXFEEFZSA-N 0 3 296.323 0.790 20 5 CCBDHN Nc1nc(NC[C@H](O)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000263942901 389303266 /nfs/dbraw/zinc/30/32/66/389303266.db2.gz GAEZLSXNRAVXGL-VIFPVBQESA-N 0 3 296.331 0.226 20 5 CCBDHN COc1cc(C(=O)NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000164895357 389436788 /nfs/dbraw/zinc/43/67/88/389436788.db2.gz OWVZPGWBYGECQH-SNVBAGLBSA-N 0 3 295.295 0.322 20 5 CCBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000271698838 389444789 /nfs/dbraw/zinc/44/47/89/389444789.db2.gz CENFAAVWYHAXFQ-UHFFFAOYSA-N 0 3 263.257 0.881 20 5 CCBDHN CN(C)C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCO1 ZINC000374067873 389542467 /nfs/dbraw/zinc/54/24/67/389542467.db2.gz SZTSGQSBLKMPTL-JTQLQIEISA-N 0 3 283.332 0.091 20 5 CCBDHN CN1CCC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000280059588 389596776 /nfs/dbraw/zinc/59/67/76/389596776.db2.gz ZBSRLGLAQMKKJG-JTQLQIEISA-N 0 3 284.293 0.599 20 5 CCBDHN C[C@@H]1NCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1C ZINC000379462303 389761051 /nfs/dbraw/zinc/76/10/51/389761051.db2.gz CRVUDDJWGQLUPV-IUCAKERBSA-N 0 3 266.301 0.756 20 5 CCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)COC1CNC1 ZINC000429682107 389764948 /nfs/dbraw/zinc/76/49/48/389764948.db2.gz MVWVHXZAQQTVNH-UHFFFAOYSA-N 0 3 279.296 0.542 20 5 CCBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451628192 390003412 /nfs/dbraw/zinc/00/34/12/390003412.db2.gz AAAULFBYVQXTFC-IEBDPFPHSA-N 0 3 289.291 0.860 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000583944943 390327644 /nfs/dbraw/zinc/32/76/44/390327644.db2.gz BFOSXPBDFPCFRY-NXEZZACHSA-N 0 3 291.311 0.046 20 5 CCBDHN CN(CCN(C)C1CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555290996 390452367 /nfs/dbraw/zinc/45/23/67/390452367.db2.gz LUEDYLIZGIRFRK-UHFFFAOYSA-N 0 3 267.289 0.484 20 5 CCBDHN C[C@H]1CCN(CC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000572495307 390786340 /nfs/dbraw/zinc/78/63/40/390786340.db2.gz MKVONBPNHSYMNP-JTQLQIEISA-N 0 3 281.316 0.249 20 5 CCBDHN COCCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450311023 533342864 /nfs/dbraw/zinc/34/28/64/533342864.db2.gz YCWVSMLQFJARHM-LLVKDONJSA-N 0 3 295.343 0.638 20 5 CCBDHN Cc1ccc(C)c(S(=O)(=O)N(C)C2CNC2)c1[N+](=O)[O-] ZINC000357474273 144094649 /nfs/dbraw/zinc/09/46/49/144094649.db2.gz RFXGZJJAZBAVGU-UHFFFAOYSA-N 0 3 299.352 0.804 20 5 CCBDHN C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N(C)C1CC1 ZINC000548742168 286064231 /nfs/dbraw/zinc/06/42/31/286064231.db2.gz IPLFWZRTUSBFOF-QMMMGPOBSA-N 0 3 293.327 0.615 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285469714 196294805 /nfs/dbraw/zinc/29/48/05/196294805.db2.gz HLDNRRSYWSBKRL-SSDOTTSWSA-N 0 3 253.262 0.142 20 5 CCBDHN CCN(CCO)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000184537611 276132595 /nfs/dbraw/zinc/13/25/95/276132595.db2.gz RQTWXELEGMAXNR-UHFFFAOYSA-N 0 3 267.329 0.999 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](O)C1 ZINC000181236883 280375654 /nfs/dbraw/zinc/37/56/54/280375654.db2.gz LJVHSMZCIHFLDE-WDEREUQCSA-N 0 3 282.296 0.401 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]([NH3+])C1CC1 ZINC000133127710 281261872 /nfs/dbraw/zinc/26/18/72/281261872.db2.gz ISPKWGSOONAPJA-JTQLQIEISA-N 0 3 299.352 0.919 20 5 CCBDHN C[C@@]1(F)CNCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000570944041 327684030 /nfs/dbraw/zinc/68/40/30/327684030.db2.gz LZDYKZVWNDXQME-SNVBAGLBSA-N 0 3 255.253 0.523 20 5 CCBDHN CN(C)[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000579192584 335720092 /nfs/dbraw/zinc/72/00/92/335720092.db2.gz VEGGEVVDAVEEQM-KBPBESRZSA-N 0 3 295.339 0.580 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(NC[C@]2(O)CCN(C)C2)n1 ZINC000358335420 534327676 /nfs/dbraw/zinc/32/76/76/534327676.db2.gz HPHZLSWRCCDEQH-GFCCVEGCSA-N 0 3 266.301 0.777 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000157369111 526552081 /nfs/dbraw/zinc/55/20/81/526552081.db2.gz HLVWWECXYDCQHW-NSHDSACASA-N 0 3 280.284 0.705 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000157354582 526623576 /nfs/dbraw/zinc/62/35/76/526623576.db2.gz DKORQHHWIIZFMI-LLVKDONJSA-N 0 3 299.714 0.966 20 5 CCBDHN CN(CCN(C)C1CC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356880288 536367074 /nfs/dbraw/zinc/36/70/74/536367074.db2.gz UYXIGFMWYOEPJX-UHFFFAOYSA-N 0 3 281.316 0.495 20 5 CCBDHN CC(C)[C@@H](CN(C)C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000733168447 581868517 /nfs/dbraw/zinc/86/85/17/581868517.db2.gz UKBPVXYJNXVDFM-GFCCVEGCSA-N 0 3 297.359 0.884 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1C ZINC000761078516 581886599 /nfs/dbraw/zinc/88/65/99/581886599.db2.gz XCDDPHHYFKPTLP-SNVBAGLBSA-N 0 3 253.306 0.427 20 5 CCBDHN CC(C)(CCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[N+](=O)[O-] ZINC000822880170 614081264 /nfs/dbraw/zinc/08/12/64/614081264.db2.gz ZCRUOSKBADQCNN-NWDGAFQWSA-N 0 3 299.371 0.801 20 5 CCBDHN CCN1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819350765 615421726 /nfs/dbraw/zinc/42/17/26/615421726.db2.gz ULXTZDPSZJLFPZ-DGCLKSJQSA-N 0 3 293.323 0.839 20 5 CCBDHN CCc1nn(C)c(NCCN(C)CCO)c1[N+](=O)[O-] ZINC000884825098 615794013 /nfs/dbraw/zinc/79/40/13/615794013.db2.gz DXVOFVPRFXAPFR-UHFFFAOYSA-N 0 3 271.321 0.227 20 5 CCBDHN CN(CC[NH+](C)C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821584366 615893430 /nfs/dbraw/zinc/89/34/30/615893430.db2.gz AERFVOOQLWXTCZ-UHFFFAOYSA-N 0 3 291.315 0.773 20 5 CCBDHN CN1CCN(Cc2ccccc2)[C@@H](CNCC[N+](=O)[O-])C1 ZINC000905383776 616245521 /nfs/dbraw/zinc/24/55/21/616245521.db2.gz UJVWNNVRIRAVHI-HNNXBMFYSA-N 0 3 292.383 0.669 20 5 CCBDHN CO[C@@H]1CCOC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000934039470 616673606 /nfs/dbraw/zinc/67/36/06/616673606.db2.gz STFWRWAMQBUKSH-VXGBXAGGSA-N 0 3 297.311 0.150 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000892141729 622609278 /nfs/dbraw/zinc/60/92/78/622609278.db2.gz CJAVSVHWKBAXAS-UWVGGRQHSA-N 0 3 281.316 0.603 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCN(C)CCO ZINC000912603806 636615371 /nfs/dbraw/zinc/61/53/71/636615371.db2.gz DPHNYQBHCWWCGK-UHFFFAOYSA-N 0 3 295.339 0.899 20 5 CCBDHN O=[N+]([O-])c1ccnn1CN1CC[C@@H](N2CC=CC2)C1 ZINC000172933047 637198292 /nfs/dbraw/zinc/19/82/92/637198292.db2.gz JUOXAHDLXXTIKQ-LLVKDONJSA-N 0 3 263.301 0.695 20 5 CCBDHN Cc1ccnc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000839705608 640355246 /nfs/dbraw/zinc/35/52/46/640355246.db2.gz LOMVCBIXRYHGOW-VXGBXAGGSA-N 0 3 290.323 0.704 20 5 CCBDHN CN(Cc1ccccc1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839760872 640360074 /nfs/dbraw/zinc/36/00/74/640360074.db2.gz BOVCRKFTBCGYAH-ZIAGYGMSSA-N 0 3 289.335 0.994 20 5 CCBDHN CC(COC(=O)[C@@]12CCC(=O)N1CCS2)[N+](=O)[O-] ZINC000813103538 641022393 /nfs/dbraw/zinc/02/23/93/641022393.db2.gz QDQNADHUCGNYPM-XCBNKYQSSA-N 0 3 274.298 0.260 20 5 CCBDHN CC(COC(=O)COc1ccc(C(N)=O)cc1)[N+](=O)[O-] ZINC000813106966 641023526 /nfs/dbraw/zinc/02/35/26/641023526.db2.gz JCOUCWVWGGFXMD-QMMMGPOBSA-N 0 3 282.252 0.373 20 5 CCBDHN C[C@H](C[S@](C)=O)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819224563 641391334 /nfs/dbraw/zinc/39/13/34/641391334.db2.gz IMQWQMNJEQFLDZ-VVSLUIPWSA-N 0 3 286.353 0.985 20 5 CCBDHN O=C1C[C@H]2[NH2+]CC[C@]2([N-]c2nc(Cl)ccc2[N+](=O)[O-])N1 ZINC001163251205 802518281 /nfs/dbraw/zinc/51/82/81/802518281.db2.gz QKVMKKLOOLUKOX-RDDDGLTNSA-N 0 3 297.702 0.633 20 5 CCBDHN CN(CCNc1ncccc1[N+](=O)[O-])CCOCCO ZINC001163983539 802644232 /nfs/dbraw/zinc/64/42/32/802644232.db2.gz FOVSAGJQQNWTGE-UHFFFAOYSA-N 0 3 284.316 0.342 20 5 CCBDHN O=[N+]([O-])c1cc(F)cnc1-n1ncc2c1CCNC2 ZINC001165217968 802797818 /nfs/dbraw/zinc/79/78/18/802797818.db2.gz CZLNNZMKBULKDL-UHFFFAOYSA-N 0 3 263.232 0.960 20 5 CCBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3NCCO[C@H]3C2)c(F)c1 ZINC001165269376 802808434 /nfs/dbraw/zinc/80/84/34/802808434.db2.gz KHCVLRHKBRGZHP-QWRGUYRKSA-N 0 3 282.275 0.696 20 5 CCBDHN CC(=O)N1CC(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580227 808262218 /nfs/dbraw/zinc/26/22/18/808262218.db2.gz CIPYXZGGJXQOLX-LBPRGKRZSA-N 0 3 275.308 0.882 20 5 CCBDHN CCc1nc(C)c(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001126936210 815321916 /nfs/dbraw/zinc/32/19/16/815321916.db2.gz ASHAQGDIQRDRRP-NXEZZACHSA-N 0 3 296.327 0.416 20 5 CCBDHN C[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])CN1CCOCC1 ZINC001123219368 816886858 /nfs/dbraw/zinc/88/68/58/816886858.db2.gz HTDZDIUZICGSFV-GMTAPVOTSA-N 0 3 272.301 0.163 20 5 CCBDHN O=C(NCC1CN(CCC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662546 817228483 /nfs/dbraw/zinc/22/84/83/817228483.db2.gz HDXPYPIDBPEMHB-RKDXNWHRSA-N 0 3 295.261 0.652 20 5 CCBDHN C[C@H](Nc1c[n+]([O-])ccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170568009 838137584 /nfs/dbraw/zinc/13/75/84/838137584.db2.gz MJJSYBXXSFFDMK-GZMMTYOYSA-N 0 3 268.273 0.017 20 5 CCBDHN CC(COC(=O)[C@H]1COCCN1CC(F)F)[N+](=O)[O-] ZINC000813100970 838675618 /nfs/dbraw/zinc/67/56/18/838675618.db2.gz ZJACJGQMCHPMLN-JGVFFNPUSA-N 0 3 282.243 0.161 20 5 CCBDHN COc1nc(N2CCNC3(CC3)C2)ncc1[N+](=O)[O-] ZINC001158933088 838692814 /nfs/dbraw/zinc/69/28/14/838692814.db2.gz KOMHVKBAWMCTEV-UHFFFAOYSA-N 0 3 265.273 0.336 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C(F)F ZINC001154051565 848144010 /nfs/dbraw/zinc/14/40/10/848144010.db2.gz DIRCYUPYRVXDCP-UHFFFAOYSA-N 0 3 291.258 0.189 20 5 CCBDHN CCN1CC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001303018729 908058636 /nfs/dbraw/zinc/05/86/36/908058636.db2.gz JEFZHIZJEVZYAM-ZETCQYMHSA-N 0 3 253.262 0.142 20 5 CCBDHN CC[N@@H+]1CC[C@H]1CNC(=O)c1[n-]nc([N+](=O)[O-])c1Cl ZINC001303018567 908059370 /nfs/dbraw/zinc/05/93/70/908059370.db2.gz DDHRLJRKAZXCTM-LURJTMIESA-N 0 3 287.707 0.795 20 5 CCBDHN CC[N@H+]1CC[C@H]1CNC(=O)c1[n-]nc([N+](=O)[O-])c1Cl ZINC001303018567 908059385 /nfs/dbraw/zinc/05/93/85/908059385.db2.gz DDHRLJRKAZXCTM-LURJTMIESA-N 0 3 287.707 0.795 20 5 CCBDHN Cn1cc(CN[C@H](CO)C2CCOCC2)c([N+](=O)[O-])n1 ZINC001307735087 908338658 /nfs/dbraw/zinc/33/86/58/908338658.db2.gz UMSMIDQASDQSJU-LLVKDONJSA-N 0 3 284.316 0.205 20 5 CCBDHN Cc1cc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001317585011 909382063 /nfs/dbraw/zinc/38/20/63/909382063.db2.gz LWKPBFYDUSGDMO-GHMZBOCLSA-N 0 3 282.300 0.196 20 5 CCBDHN CN(C)CCONC(=O)c1cccc([N+](=O)[O-])c1N ZINC001331183774 917160538 /nfs/dbraw/zinc/16/05/38/917160538.db2.gz GFTPCDUPHILZBR-UHFFFAOYSA-N 0 3 268.273 0.400 20 5 CCBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC/C=C/CO)c1 ZINC001335379124 920157387 /nfs/dbraw/zinc/15/73/87/920157387.db2.gz ABFLUVFNCPGUEI-ISUDXETCSA-N 0 3 252.270 0.766 20 5 CCBDHN Cn1c(C[N+](=O)[O-])nnc1N1CCN(C2CCCC2)CC1 ZINC001355420890 926258236 /nfs/dbraw/zinc/25/82/36/926258236.db2.gz RYUODLHXHUAXQN-UHFFFAOYSA-N 0 3 294.359 0.656 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](CO)C1 ZINC000090512277 349437415 /nfs/dbraw/zinc/43/74/15/349437415.db2.gz LQJMHFUNGQAZAC-LLVKDONJSA-N 0 3 281.312 0.461 20 5 CCBDHN C[C@@H](O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090548810 349438676 /nfs/dbraw/zinc/43/86/76/349438676.db2.gz LWSXSKBHEOKRQT-LLVKDONJSA-N 0 3 295.339 0.849 20 5 CCBDHN COC(=O)[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000095020688 349583366 /nfs/dbraw/zinc/58/33/66/349583366.db2.gz GFOYWMRZSCVTSC-SNVBAGLBSA-N 0 3 282.300 0.595 20 5 CCBDHN CN1CC[C@](O)(CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000450435854 529808990 /nfs/dbraw/zinc/80/89/90/529808990.db2.gz FXHZAXIXAOXSMV-ZDUSSCGKSA-N 0 3 291.311 0.372 20 5 CCBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC000157367421 290710911 /nfs/dbraw/zinc/71/09/11/290710911.db2.gz PQZVMSLVCGYXHR-LLVKDONJSA-N 0 3 279.296 0.242 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2COC[C@@H]2C1 ZINC000601972381 362444628 /nfs/dbraw/zinc/44/46/28/362444628.db2.gz FNYHZZNILAGPPL-PHIMTYICSA-N 0 3 279.296 0.335 20 5 CCBDHN Cn1cc(CN2C[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602685146 362747396 /nfs/dbraw/zinc/74/73/96/362747396.db2.gz LYNNRJSGXVNKCG-KOLCDFICSA-N 0 3 265.317 0.464 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@]1(C)CO ZINC000602810384 362812426 /nfs/dbraw/zinc/81/24/26/362812426.db2.gz TTXKFAXUKDMONE-LBPRGKRZSA-N 0 3 268.317 0.947 20 5 CCBDHN C[C@@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000040835002 348244361 /nfs/dbraw/zinc/24/43/61/348244361.db2.gz RRZROYMSDLDEPJ-SNVBAGLBSA-N 0 3 278.312 0.591 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(COC2)C1 ZINC000602904657 362878141 /nfs/dbraw/zinc/87/81/41/362878141.db2.gz ZYDKSJVLLRLEPO-UHFFFAOYSA-N 0 3 266.301 0.822 20 5 CCBDHN CN(C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000047653127 348384332 /nfs/dbraw/zinc/38/43/32/348384332.db2.gz LBFZORYNFKKGNH-UHFFFAOYSA-N 0 3 267.285 0.651 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(CO)CC1 ZINC000050104769 348467774 /nfs/dbraw/zinc/46/77/74/348467774.db2.gz GHZLYMKOJORAQY-UHFFFAOYSA-N 0 3 268.317 0.804 20 5 CCBDHN C[C@H]1[C@@H](CO)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000412081543 233037112 /nfs/dbraw/zinc/03/71/12/233037112.db2.gz MGXQDAWSVWJIQU-WDEREUQCSA-N 0 3 268.317 0.884 20 5 CCBDHN CN(CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000060477992 348644221 /nfs/dbraw/zinc/64/42/21/348644221.db2.gz DRAPGNXYAXKSGE-NSHDSACASA-N 0 3 270.285 0.259 20 5 CCBDHN CCN1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000068012654 348793781 /nfs/dbraw/zinc/79/37/81/348793781.db2.gz GBQDONKTNVVKAI-UHFFFAOYSA-N 0 3 295.343 0.782 20 5 CCBDHN COC[C@H](O)CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000071272438 348906421 /nfs/dbraw/zinc/90/64/21/348906421.db2.gz XSSNBIDNCXFJEM-LLVKDONJSA-N 0 3 270.285 0.571 20 5 CCBDHN O=C(C[C@H]1CNCCO1)NCc1ccccc1[N+](=O)[O-] ZINC000091311441 180132944 /nfs/dbraw/zinc/13/29/44/180132944.db2.gz HXJMKGAZMXVUPZ-NSHDSACASA-N 0 3 279.296 0.590 20 5 CCBDHN COCCN(CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000104958882 186034965 /nfs/dbraw/zinc/03/49/65/186034965.db2.gz JBLVYZGMRHTKKN-UHFFFAOYSA-N 0 3 284.312 0.914 20 5 CCBDHN CN(C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000130987369 350257067 /nfs/dbraw/zinc/25/70/67/350257067.db2.gz CSTWSUAXTHXWNE-UHFFFAOYSA-N 0 3 266.301 0.685 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000130803311 350249425 /nfs/dbraw/zinc/24/94/25/350249425.db2.gz NLTKOXHWISMWQJ-QMMMGPOBSA-N 0 3 266.301 0.857 20 5 CCBDHN CN(CCn1cccn1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000131951752 350292445 /nfs/dbraw/zinc/29/24/45/350292445.db2.gz DEYYKQQWRGDZFS-UHFFFAOYSA-N 0 3 291.311 0.585 20 5 CCBDHN O=C(CCN1C[C@@H]2C[C@]2(O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000603087746 362956597 /nfs/dbraw/zinc/95/65/97/362956597.db2.gz OOCMPZSZIWDDRF-HZMBPMFUSA-N 0 3 291.307 0.990 20 5 CCBDHN CN1CCN(CCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000149290342 350477624 /nfs/dbraw/zinc/47/76/24/350477624.db2.gz VTKIKQQXWJVMHF-UHFFFAOYSA-N 0 3 253.306 0.429 20 5 CCBDHN COCCNCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000092495842 180397227 /nfs/dbraw/zinc/39/72/27/180397227.db2.gz OGJVBWBQOWGCTC-UHFFFAOYSA-N 0 3 281.312 0.789 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN(C)C)n1 ZINC000166636255 350800260 /nfs/dbraw/zinc/80/02/60/350800260.db2.gz MZMRZADASQWTRI-UHFFFAOYSA-N 0 3 268.273 0.750 20 5 CCBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N(C)C1CC1 ZINC000171106446 350886324 /nfs/dbraw/zinc/88/63/24/350886324.db2.gz ITCVIRNPOFTVMY-SECBINFHSA-N 0 3 281.316 0.390 20 5 CCBDHN C[C@@H](O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176239600 351163822 /nfs/dbraw/zinc/16/38/22/351163822.db2.gz YPJLAOJVRMGLBH-SNVBAGLBSA-N 0 3 268.317 0.884 20 5 CCBDHN COCCOC[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176270666 351166177 /nfs/dbraw/zinc/16/61/77/351166177.db2.gz VRLYEVGCVWHOEO-LBPRGKRZSA-N 0 3 298.343 0.776 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCNC(C)(C)C1 ZINC000175420991 351128359 /nfs/dbraw/zinc/12/83/59/351128359.db2.gz GZYIMZWCFHVJBZ-UHFFFAOYSA-N 0 3 295.343 0.700 20 5 CCBDHN COC[C@H](C)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123511748 187095860 /nfs/dbraw/zinc/09/58/60/187095860.db2.gz XVNRHMMTNZZZPC-ZWKOPEQDSA-N 0 3 284.312 0.614 20 5 CCBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNC ZINC000123633259 187101453 /nfs/dbraw/zinc/10/14/53/187101453.db2.gz KJDXTTUZDYOJLU-UHFFFAOYSA-N 0 3 287.341 0.655 20 5 CCBDHN COCCNCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000212277573 351930050 /nfs/dbraw/zinc/93/00/50/351930050.db2.gz AIGLNOXNMGHGFV-UHFFFAOYSA-N 0 3 297.311 0.569 20 5 CCBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000227884879 352062036 /nfs/dbraw/zinc/06/20/36/352062036.db2.gz XJROQRZFPYHVFM-UHFFFAOYSA-N 0 3 279.300 0.396 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@]1(C)CC[NH2+]C1 ZINC000230736463 352119517 /nfs/dbraw/zinc/11/95/17/352119517.db2.gz TUFNVIXVWAOIQR-GFCCVEGCSA-N 0 3 299.352 0.934 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@]1(C)CC[NH2+]C1 ZINC000230736461 352119596 /nfs/dbraw/zinc/11/95/96/352119596.db2.gz TUFNVIXVWAOIQR-LBPRGKRZSA-N 0 3 299.352 0.934 20 5 CCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N(C)C ZINC000230683362 352117038 /nfs/dbraw/zinc/11/70/38/352117038.db2.gz JDQQYPGERIMFAM-SSDOTTSWSA-N 0 3 267.289 0.252 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247470022 352416232 /nfs/dbraw/zinc/41/62/32/352416232.db2.gz JDQWRTKNMWQDCQ-MWLCHTKSSA-N 0 3 286.357 0.590 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000267903758 352796732 /nfs/dbraw/zinc/79/67/32/352796732.db2.gz AYHWLXGXGRUWRY-APPZFPTMSA-N 0 3 293.327 0.981 20 5 CCBDHN CCN1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286332886 353578551 /nfs/dbraw/zinc/57/85/51/353578551.db2.gz YMVGUZWDHRFMHK-VIFPVBQESA-N 0 3 281.316 0.874 20 5 CCBDHN Cc1cnn(C)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000286673217 353603402 /nfs/dbraw/zinc/60/34/02/353603402.db2.gz VFNCPIMZNQDSLV-UHFFFAOYSA-N 0 3 264.289 0.623 20 5 CCBDHN C[C@@H](O)CN(CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289835765 353689066 /nfs/dbraw/zinc/68/90/66/353689066.db2.gz OUOZCAKQSNZABW-ZWNOBZJWSA-N 0 3 284.312 0.303 20 5 CCBDHN C[C@H](O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000305879449 354167723 /nfs/dbraw/zinc/16/77/23/354167723.db2.gz TWXQDSKJZAMSOJ-WDEREUQCSA-N 0 3 281.312 0.459 20 5 CCBDHN CCCN1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000330569324 354417646 /nfs/dbraw/zinc/41/76/46/354417646.db2.gz XMWBVGMIGXXSQC-UHFFFAOYSA-N 0 3 295.343 0.933 20 5 CCBDHN Cc1n[nH]c(C(=O)N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000331247781 354504889 /nfs/dbraw/zinc/50/48/89/354504889.db2.gz WARVQEGDBZXXQE-VIFPVBQESA-N 0 3 281.316 0.793 20 5 CCBDHN Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000331247781 354504890 /nfs/dbraw/zinc/50/48/90/354504890.db2.gz WARVQEGDBZXXQE-VIFPVBQESA-N 0 3 281.316 0.793 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000331250414 354505690 /nfs/dbraw/zinc/50/56/90/354505690.db2.gz YXSTZYWMLDJEBT-LURJTMIESA-N 0 3 255.278 0.306 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)CC1(O)CCC1 ZINC000353461136 356228007 /nfs/dbraw/zinc/22/80/07/356228007.db2.gz ALHADKJSDOAECO-UHFFFAOYSA-N 0 3 254.290 0.638 20 5 CCBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000619578720 366288891 /nfs/dbraw/zinc/28/88/91/366288891.db2.gz OHSFCFXLACBVAB-SNVBAGLBSA-N 0 3 295.343 0.885 20 5 CCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](N2CCCC2)C1 ZINC000360254708 356978018 /nfs/dbraw/zinc/97/80/18/356978018.db2.gz QLSNLHCDNOUVQW-NSHDSACASA-N 0 3 293.327 0.488 20 5 CCBDHN O=[N+]([O-])c1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000405490934 357826441 /nfs/dbraw/zinc/82/64/41/357826441.db2.gz PCWBUKCSKROHEL-UONOGXRCSA-N 0 3 277.324 0.846 20 5 CCBDHN C[C@H]1C[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CCN1C ZINC000408055282 357892449 /nfs/dbraw/zinc/89/24/49/357892449.db2.gz SHZYFPMKPCTJCE-VHSXEESVSA-N 0 3 295.343 0.883 20 5 CCBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000294497180 199061895 /nfs/dbraw/zinc/06/18/95/199061895.db2.gz CPXLPGNUPRCKJT-NXEZZACHSA-N 0 3 297.311 0.715 20 5 CCBDHN COC[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000452042422 236214075 /nfs/dbraw/zinc/21/40/75/236214075.db2.gz UAXFCBOKQCNZES-WCQYABFASA-N 0 3 298.343 0.653 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]2C2CC2)c1 ZINC000453025482 236271616 /nfs/dbraw/zinc/27/16/16/236271616.db2.gz UEPMEHZWLUFKPM-NEPJUHHUSA-N 0 3 266.301 0.637 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN(C)C ZINC000588864370 359343080 /nfs/dbraw/zinc/34/30/80/359343080.db2.gz FYKJQJCCBILYRH-JTQLQIEISA-N 0 3 281.312 0.556 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000590442930 359465844 /nfs/dbraw/zinc/46/58/44/359465844.db2.gz IEWQBQZYHNSMNI-VHSXEESVSA-N 0 3 293.327 0.587 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CCNCC2(C)C)c1[N+](=O)[O-] ZINC000592473396 359849750 /nfs/dbraw/zinc/84/97/50/359849750.db2.gz FGEMHUMJSRHLTF-UHFFFAOYSA-N 0 3 281.316 0.461 20 5 CCBDHN CN(CCN1CCCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000593518443 360105495 /nfs/dbraw/zinc/10/54/95/360105495.db2.gz ZOTMNUGTRSOOIK-UHFFFAOYSA-N 0 3 280.332 0.719 20 5 CCBDHN C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N(C)C ZINC000594236572 360261281 /nfs/dbraw/zinc/26/12/81/360261281.db2.gz WNSCBIAALWBPEK-SSDOTTSWSA-N 0 3 267.289 0.082 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CN)C(F)(F)F ZINC000594450955 360314805 /nfs/dbraw/zinc/31/48/05/360314805.db2.gz AEJYCQPACHNBBP-ZCFIWIBFSA-N 0 3 295.221 0.106 20 5 CCBDHN C[C@@]1(F)CNCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596014622 360775123 /nfs/dbraw/zinc/77/51/23/360775123.db2.gz SLTYCBZWRCMLCP-LLVKDONJSA-N 0 3 269.280 0.710 20 5 CCBDHN CC(C)Oc1nc(N[C@@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000596242350 360849414 /nfs/dbraw/zinc/84/94/14/360849414.db2.gz FHEZXJZWZLLJBW-SNVBAGLBSA-N 0 3 298.343 0.533 20 5 CCBDHN CN(C)C[C@H](CO)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000596244530 360850415 /nfs/dbraw/zinc/85/04/15/360850415.db2.gz RGCRZMGZGQALOF-LLVKDONJSA-N 0 3 290.323 0.899 20 5 CCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)CN(C)C ZINC000597655649 361175251 /nfs/dbraw/zinc/17/52/51/361175251.db2.gz ZRDYTKRVUMBVSP-VIFPVBQESA-N 0 3 297.311 0.256 20 5 CCBDHN COC(=O)c1ccnc(N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000598626044 361465846 /nfs/dbraw/zinc/46/58/46/361465846.db2.gz YEZSLRSZLZLZHL-MRVPVSSYSA-N 0 3 298.299 0.111 20 5 CCBDHN CC[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H](C)N1 ZINC000599181340 361602298 /nfs/dbraw/zinc/60/22/98/361602298.db2.gz VLIPBKQEHRDLSR-DTWKUNHWSA-N 0 3 251.290 0.962 20 5 CCBDHN CN(C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000330830739 203289377 /nfs/dbraw/zinc/28/93/77/203289377.db2.gz UKIWFIRMAJRGLT-SNVBAGLBSA-N 0 3 282.300 0.326 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@](O)(C(N)=O)C1 ZINC000276558486 193379961 /nfs/dbraw/zinc/37/99/61/193379961.db2.gz LKRMZPQWSPNPDQ-QMTHXVAHSA-N 0 3 293.323 0.886 20 5 CCBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)C(F)(F)F)c1 ZINC000568619407 291607080 /nfs/dbraw/zinc/60/70/80/291607080.db2.gz BELKPVBZWKECDH-SSDOTTSWSA-N 0 3 268.195 0.304 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CCCC1(C)C ZINC000457053155 249039474 /nfs/dbraw/zinc/03/94/74/249039474.db2.gz JYQWWBZCBGRCFG-UHFFFAOYSA-N 0 3 295.343 0.933 20 5 CCBDHN COC(=O)c1cc(NC(=O)[C@H](CN)OC)cc([N+](=O)[O-])c1 ZINC000289473073 197364284 /nfs/dbraw/zinc/36/42/84/197364284.db2.gz DRJARSSBKJBBMU-JTQLQIEISA-N 0 3 297.267 0.294 20 5 CCBDHN CN1CCNC[C@H]1CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000394850458 285218866 /nfs/dbraw/zinc/21/88/66/285218866.db2.gz FJESZZQQFJMJGX-JTQLQIEISA-N 0 3 290.327 0.209 20 5 CCBDHN COc1cccc(C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000195311939 389123193 /nfs/dbraw/zinc/12/31/93/389123193.db2.gz OPFRBWHTBNKJFF-UHFFFAOYSA-N 0 3 267.285 0.895 20 5 CCBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356739915 389128044 /nfs/dbraw/zinc/12/80/44/389128044.db2.gz GZQSXRQNXGDZSE-ZJUUUORDSA-N 0 3 295.343 0.787 20 5 CCBDHN CN(CCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281954165 389638661 /nfs/dbraw/zinc/63/86/61/389638661.db2.gz UQCUMBKBHAZWBE-GFCCVEGCSA-N 0 3 284.312 0.649 20 5 CCBDHN COc1ccc(CNC[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414966222 389648883 /nfs/dbraw/zinc/64/88/83/389648883.db2.gz OFXLOQVESAEKHC-LBPRGKRZSA-N 0 3 294.355 0.597 20 5 CCBDHN CC(C)(N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423717258 389606357 /nfs/dbraw/zinc/60/63/57/389606357.db2.gz AGGCDLDIMBVDEJ-UHFFFAOYSA-N 0 3 263.257 0.569 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000379491800 389762055 /nfs/dbraw/zinc/76/20/55/389762055.db2.gz HXUAYQQGUSPMSC-JGVFFNPUSA-N 0 3 252.274 0.745 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)COC1CNC1 ZINC000429975456 389777381 /nfs/dbraw/zinc/77/73/81/389777381.db2.gz QUPMKTMTIDPZMF-UHFFFAOYSA-N 0 3 295.295 0.208 20 5 CCBDHN C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1 ZINC000420244857 389972428 /nfs/dbraw/zinc/97/24/28/389972428.db2.gz YSFMWXMOTVEQCH-QMMMGPOBSA-N 0 3 262.273 0.436 20 5 CCBDHN CN(C)CC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000457200056 390034128 /nfs/dbraw/zinc/03/41/28/390034128.db2.gz DESUIFNZMISPAK-UHFFFAOYSA-N 0 3 283.332 0.638 20 5 CCBDHN COC(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000495950557 390274068 /nfs/dbraw/zinc/27/40/68/390274068.db2.gz OSYXDMMJHZHIQX-BDAKNGLRSA-N 0 3 274.273 0.673 20 5 CCBDHN CCOC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000496004251 390281751 /nfs/dbraw/zinc/28/17/51/390281751.db2.gz WNRIWBHQINQEIS-IUCAKERBSA-N 0 3 276.289 0.966 20 5 CCBDHN CC(C)(N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000520584247 390582518 /nfs/dbraw/zinc/58/25/18/390582518.db2.gz KJRTZBDOKNHYCW-UHFFFAOYSA-N 0 3 264.285 0.612 20 5 CCBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1CO ZINC000190344462 130092194 /nfs/dbraw/zinc/09/21/94/130092194.db2.gz TYYWISHEMUQEKW-NXEZZACHSA-N 0 3 254.290 0.494 20 5 CCBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000263692740 131310527 /nfs/dbraw/zinc/31/05/27/131310527.db2.gz RRDNDXRQXTVOKT-MRVPVSSYSA-N 0 3 281.316 0.704 20 5 CCBDHN CN(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356478654 144006094 /nfs/dbraw/zinc/00/60/94/144006094.db2.gz LUQBDTAACUHMHB-MRVPVSSYSA-N 0 3 267.289 0.104 20 5 CCBDHN C[C@@H]1[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000357039372 144052931 /nfs/dbraw/zinc/05/29/31/144052931.db2.gz OCUKLMROFMSNPU-VXGBXAGGSA-N 0 3 294.355 0.781 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CNC2)c1C ZINC000357483994 144095708 /nfs/dbraw/zinc/09/57/08/144095708.db2.gz MGCXSGDFXQGSGC-UHFFFAOYSA-N 0 3 299.352 0.804 20 5 CCBDHN Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000552435978 286166276 /nfs/dbraw/zinc/16/62/76/286166276.db2.gz HQDNMIQWRDBYIJ-STQMWFEESA-N 0 3 293.323 0.650 20 5 CCBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000284968309 196166395 /nfs/dbraw/zinc/16/63/95/196166395.db2.gz CTPLQTZFOZBUIH-UHFFFAOYSA-N 0 3 297.315 0.159 20 5 CCBDHN CN(CCC(=O)NC(N)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285197667 196219211 /nfs/dbraw/zinc/21/92/11/196219211.db2.gz CVSCZZNMOZEWLI-UHFFFAOYSA-N 0 3 294.311 0.654 20 5 CCBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285521030 196313407 /nfs/dbraw/zinc/31/34/07/196313407.db2.gz OGQBEQKSRRLYIL-SECBINFHSA-N 0 3 281.316 0.732 20 5 CCBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1N(C)C ZINC000285669006 196360542 /nfs/dbraw/zinc/36/05/42/196360542.db2.gz DVNBSFFJTQWFGB-BDAKNGLRSA-N 0 3 299.356 0.436 20 5 CCBDHN C[C@H](NCCCS(N)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000045068060 278258723 /nfs/dbraw/zinc/25/87/23/278258723.db2.gz PQOGHVOUWRFDQT-VIFPVBQESA-N 0 3 287.341 0.924 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@](O)(C(N)=O)C1 ZINC000276558482 281022834 /nfs/dbraw/zinc/02/28/34/281022834.db2.gz LKRMZPQWSPNPDQ-IINYFYTJSA-N 0 3 293.323 0.886 20 5 CCBDHN CN(C)C1(CN(C)C(=O)c2c([N+](=O)[O-])cnn2C)CCC1 ZINC000189513694 289042551 /nfs/dbraw/zinc/04/25/51/289042551.db2.gz MOLGPNROQHLYTC-UHFFFAOYSA-N 0 3 295.343 0.885 20 5 CCBDHN CNCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000576521156 335214398 /nfs/dbraw/zinc/21/43/98/335214398.db2.gz QVEFCNKJEHVGBV-UHFFFAOYSA-N 0 3 250.258 0.094 20 5 CCBDHN Cn1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000577216593 335324141 /nfs/dbraw/zinc/32/41/41/335324141.db2.gz RCMRGPNMOREAHO-LBPRGKRZSA-N 0 3 279.300 0.281 20 5 CCBDHN CC(C)(N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040924939 517401901 /nfs/dbraw/zinc/40/19/01/517401901.db2.gz ATIFKSGTTGWKEG-UHFFFAOYSA-N 0 3 251.286 0.991 20 5 CCBDHN CCN(CCO)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000183946848 521108261 /nfs/dbraw/zinc/10/82/61/521108261.db2.gz SQGBDAUDYKKZKT-UHFFFAOYSA-N 0 3 295.339 0.947 20 5 CCBDHN Nc1c(C(=O)NC[C@@H]2C[C@H](F)CN2)cccc1[N+](=O)[O-] ZINC000368203489 527427079 /nfs/dbraw/zinc/42/70/79/527427079.db2.gz RIHIPJFGMRZJMB-YUMQZZPRSA-N 0 3 282.275 0.607 20 5 CCBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000518137747 536364922 /nfs/dbraw/zinc/36/49/22/536364922.db2.gz RHIYPZWAJZLUET-VIFPVBQESA-N 0 3 266.301 0.995 20 5 CCBDHN Cc1nn(C)c(C(=O)N[C@H](CN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000733168494 581868501 /nfs/dbraw/zinc/86/85/01/581868501.db2.gz VFLCGZXYZBQQFG-SNVBAGLBSA-N 0 3 297.359 0.953 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]3C[C@H]32)c1 ZINC000761096246 581888059 /nfs/dbraw/zinc/88/80/59/581888059.db2.gz SMUDQVAKMDJJGU-JMJZKYOTSA-N 0 3 252.274 0.246 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1OC(=O)C1CCN(C)C1=O ZINC000773972199 581950626 /nfs/dbraw/zinc/95/06/26/581950626.db2.gz OALHWCYYNIVTGR-VIFPVBQESA-N 0 3 294.263 0.987 20 5 CCBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1CCCC1=O ZINC000813115093 614079758 /nfs/dbraw/zinc/07/97/58/614079758.db2.gz KLSVNJJFTKDIMV-ONGXEEELSA-N 0 3 272.301 0.842 20 5 CCBDHN CC(=O)N[C@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777405 614114587 /nfs/dbraw/zinc/11/45/87/614114587.db2.gz PHMVYQUAZDDOMP-PSASIEDQSA-N 0 3 260.290 0.746 20 5 CCBDHN CCCN1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000842363349 614775953 /nfs/dbraw/zinc/77/59/53/614775953.db2.gz GNECEUFKPFAVMU-IUCAKERBSA-N 0 3 258.274 0.453 20 5 CCBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C)C1 ZINC000910272173 615120793 /nfs/dbraw/zinc/12/07/93/615120793.db2.gz CIGATGNUPOGLPY-SECBINFHSA-N 0 3 281.316 0.874 20 5 CCBDHN CN1C(=O)[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1=O ZINC000877719938 616158683 /nfs/dbraw/zinc/15/86/83/616158683.db2.gz HCVJCOMUMXKYGG-TXEJJXNPSA-N 0 3 289.291 0.641 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1NCCN1CCN(C)C(C)(C)C1 ZINC000893686187 616241899 /nfs/dbraw/zinc/24/18/99/616241899.db2.gz WJAFHCRQPDJZBT-UHFFFAOYSA-N 0 3 296.375 0.766 20 5 CCBDHN CN1CCN(c2cc(CNCC[N+](=O)[O-])ccn2)CC1 ZINC000905051165 616246945 /nfs/dbraw/zinc/24/69/45/616246945.db2.gz TUXJNKHGEQKTTK-UHFFFAOYSA-N 0 3 279.344 0.200 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@H]2C1 ZINC000816949636 616507787 /nfs/dbraw/zinc/50/77/87/616507787.db2.gz AYFTUEQMRPHGTH-RNCFNFMXSA-N 0 3 290.323 0.953 20 5 CCBDHN COC[C@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077470 616673082 /nfs/dbraw/zinc/67/30/82/616673082.db2.gz DYXPHPCIYYQRLA-CMPLNLGQSA-N 0 3 270.285 0.225 20 5 CCBDHN CO[C@@H]1COCC[C@@H]1CC(=O)OCC(C)[N+](=O)[O-] ZINC000835456363 616785607 /nfs/dbraw/zinc/78/56/07/616785607.db2.gz UENMSSHYKJDFLK-OPRDCNLKSA-N 0 3 261.274 0.636 20 5 CCBDHN CNC(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104016 616915686 /nfs/dbraw/zinc/91/56/86/616915686.db2.gz IXXNLTOUHKDDLK-MRVPVSSYSA-N 0 3 266.253 0.868 20 5 CCBDHN CC(COC(=O)c1ccc(CN2CCOCC2)o1)[N+](=O)[O-] ZINC000893045442 625303709 /nfs/dbraw/zinc/30/37/09/625303709.db2.gz XDMOFFVXBWVVHJ-JTQLQIEISA-N 0 3 298.295 0.934 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C ZINC000928450138 631854748 /nfs/dbraw/zinc/85/47/48/631854748.db2.gz CIDORULSMRWGDT-HTQZYQBOSA-N 0 3 252.274 0.745 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC(N3CCCC3)C2)c1[N+](=O)[O-] ZINC000898612772 633635609 /nfs/dbraw/zinc/63/56/09/633635609.db2.gz NCPDNZCKVHYTFF-UHFFFAOYSA-N 0 3 279.300 0.547 20 5 CCBDHN Cc1cccc(C(=O)NCCN(C)CCO)c1[N+](=O)[O-] ZINC000899726141 633874178 /nfs/dbraw/zinc/87/41/78/633874178.db2.gz HQXHYAWZJFHFKN-UHFFFAOYSA-N 0 3 281.312 0.557 20 5 CCBDHN Cc1c(C(=O)NCCN(C)CCO)cccc1[N+](=O)[O-] ZINC000899728899 633875138 /nfs/dbraw/zinc/87/51/38/633875138.db2.gz ZBIQSEQTJPLPOJ-UHFFFAOYSA-N 0 3 281.312 0.557 20 5 CCBDHN O=[N+]([O-])CCNCCc1ccc2c(c1)OCCO2 ZINC000899859647 633905670 /nfs/dbraw/zinc/90/56/70/633905670.db2.gz LRTQWYFDYKMVCR-UHFFFAOYSA-N 0 3 252.270 0.867 20 5 CCBDHN O=[N+]([O-])CCN[C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC000905637103 634886189 /nfs/dbraw/zinc/88/61/89/634886189.db2.gz SADDGGSXPRYZBH-BETUJISGSA-N 0 3 250.298 0.945 20 5 CCBDHN CC(COC(=O)Cc1nc(C2CC2)nn1C)[N+](=O)[O-] ZINC000842802383 640234301 /nfs/dbraw/zinc/23/43/01/640234301.db2.gz XIUPYMFCGVGUQQ-ZETCQYMHSA-N 0 3 268.273 0.443 20 5 CCBDHN CC(COC(=O)c1cnc2n[nH]nc2c1)[N+](=O)[O-] ZINC000813105624 641022196 /nfs/dbraw/zinc/02/21/96/641022196.db2.gz QSDCEMDULHMAFH-RXMQYKEDSA-N 0 3 251.202 0.175 20 5 CCBDHN CC(COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)[N+](=O)[O-] ZINC000813103432 641022538 /nfs/dbraw/zinc/02/25/38/641022538.db2.gz AHTPKNMLLQOJRT-SOCHQFKDSA-N 0 3 288.325 0.649 20 5 CCBDHN CC(COC(=O)C[C@H]1Oc2ccccc2NC1=O)[N+](=O)[O-] ZINC000813106590 641023341 /nfs/dbraw/zinc/02/33/41/641023341.db2.gz FQPWOWSDEQTBTP-GZMMTYOYSA-N 0 3 294.263 0.985 20 5 CCBDHN Cc1ccn2ncc(C(=O)OCC(C)[N+](=O)[O-])c2n1 ZINC000813108589 641023849 /nfs/dbraw/zinc/02/38/49/641023849.db2.gz HYHHJWBYBTWVRT-MRVPVSSYSA-N 0 3 264.241 0.860 20 5 CCBDHN CC(COC(=O)c1cn(Cc2ccccn2)nn1)[N+](=O)[O-] ZINC000813115777 641024493 /nfs/dbraw/zinc/02/44/93/641024493.db2.gz ZLNHDGOJXBWNIO-SECBINFHSA-N 0 3 291.267 0.543 20 5 CCBDHN CC(COC(=O)CCNC(=O)c1ccco1)[N+](=O)[O-] ZINC000813113449 641024782 /nfs/dbraw/zinc/02/47/82/641024782.db2.gz QBTHEWSSKSZOJV-MRVPVSSYSA-N 0 3 270.241 0.608 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000830111222 642232901 /nfs/dbraw/zinc/23/29/01/642232901.db2.gz MADMAGNEFJXIEF-WCBMZHEXSA-N 0 3 281.316 0.309 20 5 CCBDHN Cc1nn(CN(C)CC2CN(C)C2)c(C)c1[N+](=O)[O-] ZINC000853554545 644119303 /nfs/dbraw/zinc/11/93/03/644119303.db2.gz BEPYCIHGVQESFU-UHFFFAOYSA-N 0 3 267.333 0.859 20 5 CCBDHN O=C(N[C@H]1CCCN2CCSC[C@@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC000928079640 648612406 /nfs/dbraw/zinc/61/24/06/648612406.db2.gz NKJUYPCMRCPIMF-YTWAJWBKSA-N 0 3 285.369 0.348 20 5 CCBDHN CC(COC(=O)[C@H](C)Cc1cnn(C)c1)[N+](=O)[O-] ZINC001122950499 799318800 /nfs/dbraw/zinc/31/88/00/799318800.db2.gz KFDZLQIHSQCONJ-BDAKNGLRSA-N 0 3 255.274 0.807 20 5 CCBDHN O=C1C[C@H]2[NH2+]CC[C@@]2([N-]c2nccc(Cl)c2[N+](=O)[O-])N1 ZINC001155570688 801009845 /nfs/dbraw/zinc/00/98/45/801009845.db2.gz OUJFYHFNTAHEMW-HQJQHLMTSA-N 0 3 297.702 0.633 20 5 CCBDHN CN(c1ncc([N+](=O)[O-])cc1Cl)S(=O)(=O)CCN ZINC001156231420 801134326 /nfs/dbraw/zinc/13/43/26/801134326.db2.gz FWWKVPQPQUAKIE-UHFFFAOYSA-N 0 3 294.720 0.368 20 5 CCBDHN O=C(c1csc([N+](=O)[O-])c1)N1CC(N[C@@H]2CCOC2)C1 ZINC001157006455 801286571 /nfs/dbraw/zinc/28/65/71/801286571.db2.gz NUIDYEWKIKSFLI-SECBINFHSA-N 0 3 297.336 0.859 20 5 CCBDHN C[C@H](Nc1ncc(F)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159494844 801818213 /nfs/dbraw/zinc/81/82/13/801818213.db2.gz AEUUTSJGGPSWDI-XVKPBYJWSA-N 0 3 270.264 0.918 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2cnc(CN)c2)n1 ZINC001162296726 802302403 /nfs/dbraw/zinc/30/24/03/802302403.db2.gz KNGAXOCSQBNJJQ-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN O=C1C[C@H]2[NH2+]CC[C@]2([N-]c2cc(F)cc(F)c2[N+](=O)[O-])N1 ZINC001163248340 802517168 /nfs/dbraw/zinc/51/71/68/802517168.db2.gz GYEWVVBYKOPEJE-SKDRFNHKSA-N 0 3 298.249 0.863 20 5 CCBDHN COc1nc(C)c([N+](=O)[O-])c(N2CC(C)(N(C)C)C2)n1 ZINC001165117697 802784158 /nfs/dbraw/zinc/78/41/58/802784158.db2.gz JQEIKTIZXHTIKL-UHFFFAOYSA-N 0 3 281.316 0.842 20 5 CCBDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccccc1[N+](=O)[O-] ZINC000088658214 803484533 /nfs/dbraw/zinc/48/45/33/803484533.db2.gz MHQVBNVFPRHXPM-ZDUSSCGKSA-N 0 3 293.323 0.932 20 5 CCBDHN CN(C[C@H](O)CO)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597139 808265520 /nfs/dbraw/zinc/26/55/20/808265520.db2.gz RSZVLWFBTVQEFJ-STQMWFEESA-N 0 3 266.297 0.347 20 5 CCBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001263156461 809462612 /nfs/dbraw/zinc/46/26/12/809462612.db2.gz XNUXBXOQMKFALM-JTQLQIEISA-N 0 3 277.280 0.456 20 5 CCBDHN Cc1ncc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001264985393 809688100 /nfs/dbraw/zinc/68/81/00/809688100.db2.gz WXEWGIPHTJCMIU-VXGBXAGGSA-N 0 3 296.327 0.586 20 5 CCBDHN CCc1nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(=O)[n-]1 ZINC001226473538 814015945 /nfs/dbraw/zinc/01/59/45/814015945.db2.gz ZJHICKBQPDTWOM-SECBINFHSA-O 0 3 284.336 0.107 20 5 CCBDHN COc1nc(-n2nccc2CN)nc(OC)c1[N+](=O)[O-] ZINC001155124612 822044365 /nfs/dbraw/zinc/04/43/65/822044365.db2.gz BFPCFNHBNIMOBY-UHFFFAOYSA-N 0 3 280.244 0.046 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(C3COC3)CC2)C1 ZINC001169009125 836098218 /nfs/dbraw/zinc/09/82/18/836098218.db2.gz VQFUDBCJTXCQFM-VXGBXAGGSA-N 0 3 269.345 0.448 20 5 CCBDHN COC(=O)[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C ZINC001169035077 836109580 /nfs/dbraw/zinc/10/95/80/836109580.db2.gz AFWKMAHLERAMKN-SRVKXCTJSA-N 0 3 285.344 0.221 20 5 CCBDHN CN(C1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)[C@H]1CCOC1 ZINC001169051345 836116755 /nfs/dbraw/zinc/11/67/55/836116755.db2.gz DMJCHIIJXNMBNR-UPJWGTAASA-N 0 3 283.372 0.837 20 5 CCBDHN COC(=O)c1cc(C)nc(-n2nncc2CN)c1[N+](=O)[O-] ZINC001169311528 836213031 /nfs/dbraw/zinc/21/30/31/836213031.db2.gz ZESFSOIJYVSPQR-UHFFFAOYSA-N 0 3 292.255 0.124 20 5 CCBDHN COc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1CNCCO1 ZINC001170559705 838088115 /nfs/dbraw/zinc/08/81/15/838088115.db2.gz ZQBJDKZJORNZOO-KCJUWKMLSA-N 0 3 282.300 0.787 20 5 CCBDHN C[C@@H](Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-])[C@@H]1CNCCO1 ZINC001170562311 838108056 /nfs/dbraw/zinc/10/80/56/838108056.db2.gz IEHAIIIYYVVUDU-APPZFPTMSA-N 0 3 286.263 0.156 20 5 CCBDHN C[C@H](Nc1cc([N+](=O)[O-])cc[n+]1[O-])[C@@H]1CNCCO1 ZINC001159488408 839299201 /nfs/dbraw/zinc/29/92/01/839299201.db2.gz CVKKDBWGPZJVPV-WPRPVWTQSA-N 0 3 268.273 0.017 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1N1CC(N[C@H]2CCOC2)C1 ZINC001187740085 844759405 /nfs/dbraw/zinc/75/94/05/844759405.db2.gz XDTJMUAWXFKQQJ-JTQLQIEISA-N 0 3 278.312 0.865 20 5 CCBDHN C[C@]1(CO)C[C@H](O)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001196285755 846724546 /nfs/dbraw/zinc/72/45/46/846724546.db2.gz RNKKOAIYDWERFA-MELADBBJSA-N 0 3 296.323 0.446 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CNCCN1C ZINC000686126874 849062748 /nfs/dbraw/zinc/06/27/48/849062748.db2.gz WTLFFKJPBHHZIH-GFCCVEGCSA-N 0 3 278.312 0.745 20 5 CCBDHN CCC1(CC)CNC(=O)[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC001308105165 908378245 /nfs/dbraw/zinc/37/82/45/908378245.db2.gz XZWFTGROPBZAJI-NSHDSACASA-N 0 3 295.343 0.686 20 5 CCBDHN CN1CCCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001339498254 921738414 /nfs/dbraw/zinc/73/84/14/921738414.db2.gz DQHHLYPPYWVAIW-UHFFFAOYSA-N 0 3 251.290 0.714 20 5 CCBDHN COc1ccc(NC(=O)[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC001341705000 922636982 /nfs/dbraw/zinc/63/69/82/922636982.db2.gz ZUJRNESCRHKAKN-LLVKDONJSA-N 0 3 294.311 0.446 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001352096705 925522696 /nfs/dbraw/zinc/52/26/96/925522696.db2.gz HRNXNPPLXVDUKF-MNOVXSKESA-N 0 3 295.343 0.364 20 5 CCBDHN CC[C@](C)(NCCn1cc([N+](=O)[O-])ccc1=O)C(N)=O ZINC000090559283 349438669 /nfs/dbraw/zinc/43/86/69/349438669.db2.gz HBGSDJLUZXVZJW-LBPRGKRZSA-N 0 3 282.300 0.000 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1C[C@@H](O)C1 ZINC000599656251 361775094 /nfs/dbraw/zinc/77/50/94/361775094.db2.gz UDIQMQYBZQYQMP-KLPPZKSPSA-N 0 3 281.312 0.459 20 5 CCBDHN COc1ccc(CNC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600678442 362032194 /nfs/dbraw/zinc/03/21/94/362032194.db2.gz PVGWDVMKVIMHMA-NSHDSACASA-N 0 3 281.312 0.681 20 5 CCBDHN CN1CC[C@](O)(CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601144170 362156773 /nfs/dbraw/zinc/15/67/73/362156773.db2.gz PXZAANZNUJJPGQ-NSHDSACASA-N 0 3 270.264 0.607 20 5 CCBDHN C[C@H]1OCC[C@@H]1N(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000361580931 232160950 /nfs/dbraw/zinc/16/09/50/232160950.db2.gz DKVKKRLLALMMSN-MNOVXSKESA-N 0 3 284.316 0.263 20 5 CCBDHN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000602525800 362658488 /nfs/dbraw/zinc/65/84/88/362658488.db2.gz BLNBLGQYQPMRAJ-UHFFFAOYSA-N 0 3 295.270 0.548 20 5 CCBDHN CNC(=O)C1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602766059 362788677 /nfs/dbraw/zinc/78/86/77/362788677.db2.gz KXKBRGKEVDLTFC-UHFFFAOYSA-N 0 3 295.343 0.558 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](O)[C@H]1C ZINC000602841100 362829101 /nfs/dbraw/zinc/82/91/01/362829101.db2.gz QCPZORPJFSNQDG-PSASIEDQSA-N 0 3 254.290 0.555 20 5 CCBDHN CN(C)CC(C)(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602842265 362831280 /nfs/dbraw/zinc/83/12/80/362831280.db2.gz OOIVACXAQGKNIS-UHFFFAOYSA-N 0 3 255.322 0.758 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCC[C@H]3CO2)nc1 ZINC000252565337 137003016 /nfs/dbraw/zinc/00/30/16/137003016.db2.gz YTPRECYDTNHXCD-GXSJLCMTSA-N 0 3 279.300 0.660 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN1C ZINC000343310934 137127166 /nfs/dbraw/zinc/12/71/66/137127166.db2.gz XMQLYZUOUISTHG-YUMQZZPRSA-N 0 3 267.289 0.530 20 5 CCBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])nn3C)C2)C1 ZINC000346333857 137279374 /nfs/dbraw/zinc/27/93/74/137279374.db2.gz WGZANTGUCQCCNJ-ZDUSSCGKSA-N 0 3 293.327 0.496 20 5 CCBDHN CO[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@](C)(CO)C1 ZINC000602964513 362910992 /nfs/dbraw/zinc/91/09/92/362910992.db2.gz QTQXRMOJJYGLNK-NEPJUHHUSA-N 0 3 284.316 0.263 20 5 CCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CCCCC1 ZINC000046853847 348363948 /nfs/dbraw/zinc/36/39/48/348363948.db2.gz GOQDWUPGILBGRS-UHFFFAOYSA-N 0 3 281.316 0.393 20 5 CCBDHN O=[N+]([O-])c1ccc(CN2[C@H](CO)CC[C@H]2CO)cc1 ZINC000347265790 137327690 /nfs/dbraw/zinc/32/76/90/137327690.db2.gz BWKJWUNEANZOIQ-STQMWFEESA-N 0 3 266.297 0.912 20 5 CCBDHN Cc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000347928191 137364234 /nfs/dbraw/zinc/36/42/34/137364234.db2.gz UZQKHPWVASCXTP-SNVBAGLBSA-N 0 3 293.327 0.935 20 5 CCBDHN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000347928191 137364235 /nfs/dbraw/zinc/36/42/35/137364235.db2.gz UZQKHPWVASCXTP-SNVBAGLBSA-N 0 3 293.327 0.935 20 5 CCBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cnn(C)c1 ZINC000273382563 192134547 /nfs/dbraw/zinc/13/45/47/192134547.db2.gz NCDQHXYNZDGZQG-VIFPVBQESA-N 0 3 264.289 0.876 20 5 CCBDHN COCCN(C)CCNc1ccncc1[N+](=O)[O-] ZINC000061379693 348652836 /nfs/dbraw/zinc/65/28/36/348652836.db2.gz BIUVPSWTKFMHAU-UHFFFAOYSA-N 0 3 254.290 0.980 20 5 CCBDHN CC(C)N1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076270205 349076773 /nfs/dbraw/zinc/07/67/73/349076773.db2.gz YWWDOSYJMLFKHS-UHFFFAOYSA-N 0 3 280.332 0.888 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(CCO)C2CC2)c1 ZINC000078395527 349137232 /nfs/dbraw/zinc/13/72/32/349137232.db2.gz BLSCJUVSSWZMGT-ZDUSSCGKSA-N 0 3 296.323 0.791 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(CCO)C2CC2)c1 ZINC000078395523 349137340 /nfs/dbraw/zinc/13/73/40/349137340.db2.gz BLSCJUVSSWZMGT-CYBMUJFWSA-N 0 3 296.323 0.791 20 5 CCBDHN CC1(C)CNCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000088138808 349357494 /nfs/dbraw/zinc/35/74/94/349357494.db2.gz PUJSAZXKUGKMKF-UHFFFAOYSA-N 0 3 252.274 0.747 20 5 CCBDHN O=[N+]([O-])c1ccc(-c2ncn(C[C@H]3CNCCO3)n2)cc1 ZINC000122454318 350065939 /nfs/dbraw/zinc/06/59/39/350065939.db2.gz UHDRAVJCHVDBRT-GFCCVEGCSA-N 0 3 289.295 0.842 20 5 CCBDHN C[C@@H]1C[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000124099725 350089125 /nfs/dbraw/zinc/08/91/25/350089125.db2.gz FYRIOUWBMOACEX-GHMZBOCLSA-N 0 3 295.343 0.732 20 5 CCBDHN C[C@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169189373 350836160 /nfs/dbraw/zinc/83/61/60/350836160.db2.gz MLMXHIFQXQNGAT-IUCAKERBSA-N 0 3 279.300 0.350 20 5 CCBDHN COCCN(C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173439403 351039941 /nfs/dbraw/zinc/03/99/41/351039941.db2.gz FUKZYZXBHHGUND-UHFFFAOYSA-N 0 3 295.339 0.832 20 5 CCBDHN C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000173663816 351049964 /nfs/dbraw/zinc/04/99/64/351049964.db2.gz JDQWRTKNMWQDCQ-ONGXEEELSA-N 0 3 286.357 0.590 20 5 CCBDHN CC[C@H](CO)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176270762 351166218 /nfs/dbraw/zinc/16/62/18/351166218.db2.gz BMZGQLNVFNVEFO-GFCCVEGCSA-N 0 3 297.359 0.180 20 5 CCBDHN CC1(CO)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000186903167 351520407 /nfs/dbraw/zinc/52/04/07/351520407.db2.gz VDEXSVMEDOXUJA-UHFFFAOYSA-N 0 3 268.317 0.886 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187384763 351540733 /nfs/dbraw/zinc/54/07/33/351540733.db2.gz PNJXCGJUHHPPDR-CYBMUJFWSA-N 0 3 296.327 0.219 20 5 CCBDHN CC[C@]1(CO)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000189608115 351692145 /nfs/dbraw/zinc/69/21/45/351692145.db2.gz DQTKDYNNRBODKM-CQSZACIVSA-N 0 3 295.339 0.993 20 5 CCBDHN COCCNCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000212797600 351930690 /nfs/dbraw/zinc/93/06/90/351930690.db2.gz QDDSFNFBRUJOOV-UHFFFAOYSA-N 0 3 285.275 0.700 20 5 CCBDHN COCCNCCNc1nccc(C)c1[N+](=O)[O-] ZINC000215520427 351937076 /nfs/dbraw/zinc/93/70/76/351937076.db2.gz AAOOSZULGNCZMC-UHFFFAOYSA-N 0 3 254.290 0.946 20 5 CCBDHN CO[C@H](CN)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000227381062 352049401 /nfs/dbraw/zinc/04/94/01/352049401.db2.gz IRNZCUTXKCSOSH-SNVBAGLBSA-N 0 3 253.258 0.185 20 5 CCBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230869921 352120879 /nfs/dbraw/zinc/12/08/79/352120879.db2.gz JQQJORKYHBTKNT-VIFPVBQESA-N 0 3 293.327 0.738 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000236589261 352198971 /nfs/dbraw/zinc/19/89/71/352198971.db2.gz KYDSTHRFEMSWLV-RYUDHWBXSA-N 0 3 252.270 0.175 20 5 CCBDHN Cc1nc(NC[C@H]2CSCCN2)ccc1[N+](=O)[O-] ZINC000603418229 363123182 /nfs/dbraw/zinc/12/31/82/363123182.db2.gz DTBZLAASZYHEOH-VIFPVBQESA-N 0 3 268.342 0.837 20 5 CCBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CNC1 ZINC000237663208 352278087 /nfs/dbraw/zinc/27/80/87/352278087.db2.gz GXUMCYMMDVIALT-UHFFFAOYSA-N 0 3 285.325 0.462 20 5 CCBDHN CN(C)C[C@@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267536065 352773438 /nfs/dbraw/zinc/77/34/38/352773438.db2.gz SPTLIZBLURSKTR-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1(CO)CCC1 ZINC000292198145 198198268 /nfs/dbraw/zinc/19/82/68/198198268.db2.gz RYNWXEWAUFURRM-UHFFFAOYSA-N 0 3 281.312 0.603 20 5 CCBDHN C[C@H](O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272597805 353078013 /nfs/dbraw/zinc/07/80/13/353078013.db2.gz QKLLOKSOCNKISO-VHSXEESVSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000277466311 353244884 /nfs/dbraw/zinc/24/48/84/353244884.db2.gz JIWTZEDEVFFFPN-JGVFFNPUSA-N 0 3 252.274 0.745 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H](C)N1C ZINC000293405664 353809787 /nfs/dbraw/zinc/80/97/87/353809787.db2.gz MBBMVYIKIDNAMW-PHIMTYICSA-N 0 3 267.333 0.816 20 5 CCBDHN C[C@H]1[C@@H](O)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000296036274 353928372 /nfs/dbraw/zinc/92/83/72/353928372.db2.gz FBCOPOBAPUFIII-UWVGGRQHSA-N 0 3 254.290 0.637 20 5 CCBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000618952094 366133817 /nfs/dbraw/zinc/13/38/17/366133817.db2.gz QMVJWJZBJQNBIW-JTQLQIEISA-N 0 3 254.290 0.494 20 5 CCBDHN CN1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531887852 358487207 /nfs/dbraw/zinc/48/72/07/358487207.db2.gz RMEGISDDQPVUEH-UHFFFAOYSA-N 0 3 294.311 0.176 20 5 CCBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000360837137 138013049 /nfs/dbraw/zinc/01/30/49/138013049.db2.gz OKVKRQBRBOKIII-SNVBAGLBSA-N 0 3 295.343 0.931 20 5 CCBDHN CCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000610336477 363551748 /nfs/dbraw/zinc/55/17/48/363551748.db2.gz OKYOCXMRZNBYQL-WCQYABFASA-N 0 3 297.359 0.178 20 5 CCBDHN CN(C)CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000356300399 356743207 /nfs/dbraw/zinc/74/32/07/356743207.db2.gz OWWRYHYICRBHSX-UHFFFAOYSA-N 0 3 281.316 0.495 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@]1(O)CCN(C)C1 ZINC000359575594 356848263 /nfs/dbraw/zinc/84/82/63/356848263.db2.gz KSRSKSWYQBFJQK-LBPRGKRZSA-N 0 3 283.332 0.598 20 5 CCBDHN CN(C)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000359968882 356929684 /nfs/dbraw/zinc/92/96/84/356929684.db2.gz SASOUDKUAOCHMJ-NXEZZACHSA-N 0 3 286.719 0.754 20 5 CCBDHN C[C@@H]1C[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1C ZINC000408056540 357893001 /nfs/dbraw/zinc/89/30/01/357893001.db2.gz ISHJNHRVNSIONX-NXEZZACHSA-N 0 3 295.343 0.883 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C ZINC000408072200 357903431 /nfs/dbraw/zinc/90/34/31/357903431.db2.gz NAOGARXFCCYALM-JGVFFNPUSA-N 0 3 267.289 0.530 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC(CCO)CC2)n1 ZINC000531143114 358444713 /nfs/dbraw/zinc/44/47/13/358444713.db2.gz XPJRJXGGGOQHOW-UHFFFAOYSA-N 0 3 268.317 0.886 20 5 CCBDHN CN(C)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000562478380 291154922 /nfs/dbraw/zinc/15/49/22/291154922.db2.gz JYRJRUWTRHFGLV-STQMWFEESA-N 0 3 265.313 0.702 20 5 CCBDHN CO[C@@H](CN)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000574749714 359039901 /nfs/dbraw/zinc/03/99/01/359039901.db2.gz RRVPHZCTWVINDY-NSHDSACASA-N 0 3 283.284 0.064 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000588864711 359344715 /nfs/dbraw/zinc/34/47/15/359344715.db2.gz PLHKEVACTFGWHW-SSDOTTSWSA-N 0 3 273.314 0.309 20 5 CCBDHN CCN1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000611092170 363659875 /nfs/dbraw/zinc/65/98/75/363659875.db2.gz KKOSOXXZFVFUJH-LLVKDONJSA-N 0 3 267.333 0.817 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)[C@@H]2C1 ZINC000590044228 359418823 /nfs/dbraw/zinc/41/88/23/359418823.db2.gz IWKWUPFTMNXCOX-GXSJLCMTSA-N 0 3 278.312 0.709 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN(C)C ZINC000590369646 359445301 /nfs/dbraw/zinc/44/53/01/359445301.db2.gz JBQUQBQHYLHVMO-SECBINFHSA-N 0 3 297.311 0.256 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@@H]2C1 ZINC000590447529 359469178 /nfs/dbraw/zinc/46/91/78/359469178.db2.gz XRCCLAMYATUAJL-IONNQARKSA-N 0 3 265.273 0.094 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000590447286 359469246 /nfs/dbraw/zinc/46/92/46/359469246.db2.gz XEXLQEFLXZYIGD-PWSUYJOCSA-N 0 3 293.327 0.344 20 5 CCBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])s1 ZINC000591985760 359719901 /nfs/dbraw/zinc/71/99/01/359719901.db2.gz RLIUULLEKQAPEU-QMMMGPOBSA-N 0 3 299.356 0.608 20 5 CCBDHN CC1(C)CNCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000592473476 359849907 /nfs/dbraw/zinc/84/99/07/359849907.db2.gz URLVONVIJQYTDL-UHFFFAOYSA-N 0 3 253.262 0.142 20 5 CCBDHN CN1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000611201634 363679697 /nfs/dbraw/zinc/67/96/97/363679697.db2.gz HKQBELBPQPVYAW-ZETCQYMHSA-N 0 3 253.262 0.142 20 5 CCBDHN COCCN1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000611204235 363680784 /nfs/dbraw/zinc/68/07/84/363680784.db2.gz GOJKZLDLSJWNPE-VIFPVBQESA-N 0 3 297.315 0.159 20 5 CCBDHN CC1(C)CN[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592562730 359891419 /nfs/dbraw/zinc/89/14/19/359891419.db2.gz LAGOAAAABAHQSR-GFCCVEGCSA-N 0 3 290.323 0.873 20 5 CCBDHN Cn1nnnc1CCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000611314600 363707524 /nfs/dbraw/zinc/70/75/24/363707524.db2.gz QGLWTKNNYQUWCI-XQRVVYSFSA-N 0 3 288.311 0.964 20 5 CCBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1=O ZINC000593486331 360096917 /nfs/dbraw/zinc/09/69/17/360096917.db2.gz SKXVGRQXKWIHJP-UHFFFAOYSA-N 0 3 293.327 0.200 20 5 CCBDHN C[C@H](O)CN(CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000594065804 360244745 /nfs/dbraw/zinc/24/47/45/360244745.db2.gz UXTUFEIDFMAXGE-VIFPVBQESA-N 0 3 254.290 0.637 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])c(OC[C@H]2CNCCO2)n1 ZINC000594697495 360361856 /nfs/dbraw/zinc/36/18/56/360361856.db2.gz WLBJHQMVCBFYFG-SNVBAGLBSA-N 0 3 267.285 0.974 20 5 CCBDHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595111785 360438482 /nfs/dbraw/zinc/43/84/82/360438482.db2.gz OBPYKMXTCOCEMR-RNFRBKRXSA-N 0 3 274.302 0.004 20 5 CCBDHN O=C1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@H]2N1 ZINC000595727363 360631339 /nfs/dbraw/zinc/63/13/39/360631339.db2.gz BMMPVNZMGOYXMV-ZYHUDNBSSA-N 0 3 293.327 0.392 20 5 CCBDHN COC[C@](C)([NH3+])CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596127595 360805068 /nfs/dbraw/zinc/80/50/68/360805068.db2.gz AHCKDSPQDOJPQZ-SNVBAGLBSA-N 0 3 256.262 0.471 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN(C)C ZINC000179215635 189178318 /nfs/dbraw/zinc/17/83/18/189178318.db2.gz NTDREXQYRARWRC-UHFFFAOYSA-N 0 3 296.327 0.964 20 5 CCBDHN CCN1CCCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000596268187 360860645 /nfs/dbraw/zinc/86/06/45/360860645.db2.gz GCDWXIVPANHQBC-SECBINFHSA-N 0 3 280.332 0.718 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCC23CCCN2CCC3)n1 ZINC000597587755 361146297 /nfs/dbraw/zinc/14/62/97/361146297.db2.gz WMLYMTQTNJNDBF-UHFFFAOYSA-N 0 3 293.327 0.687 20 5 CCBDHN CC[C@H]1CN(C)CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000597606311 361159606 /nfs/dbraw/zinc/15/96/06/361159606.db2.gz WJLGDJXQMNQRFO-VIFPVBQESA-N 0 3 281.316 0.874 20 5 CCBDHN CCCN1CC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000598341652 361391114 /nfs/dbraw/zinc/39/11/14/361391114.db2.gz FIGIXLOJJUPTSB-VIFPVBQESA-N 0 3 281.316 0.542 20 5 CCBDHN CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H](C)N1 ZINC000599182129 361602417 /nfs/dbraw/zinc/60/24/17/361602417.db2.gz ZEBMQBICFBXHMO-DTWKUNHWSA-N 0 3 293.327 0.665 20 5 CCBDHN CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)N1 ZINC000599181854 361602473 /nfs/dbraw/zinc/60/24/73/361602473.db2.gz XJSILBPGWQDPTN-JGVFFNPUSA-N 0 3 266.305 0.374 20 5 CCBDHN C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599110004 361575655 /nfs/dbraw/zinc/57/56/55/361575655.db2.gz BRKHPNZPSAZRAA-OCAPTIKFSA-N 0 3 252.274 0.882 20 5 CCBDHN C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N(C)C ZINC000330667511 203096115 /nfs/dbraw/zinc/09/61/15/203096115.db2.gz YREDENKQUQWIGT-SSDOTTSWSA-N 0 3 255.278 0.008 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@](O)(C(N)=O)C1 ZINC000276558492 193380058 /nfs/dbraw/zinc/38/00/58/193380058.db2.gz LKRMZPQWSPNPDQ-YGRLFVJLSA-N 0 3 293.323 0.886 20 5 CCBDHN COc1ccc(CN2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000571773999 291836270 /nfs/dbraw/zinc/83/62/70/291836270.db2.gz KOLXUOSDLBKEPJ-STQMWFEESA-N 0 3 295.339 0.710 20 5 CCBDHN CNc1nc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000455417504 533074335 /nfs/dbraw/zinc/07/43/35/533074335.db2.gz QCWJAVIPAIBCLM-SECBINFHSA-N 0 3 293.327 0.808 20 5 CCBDHN C[C@@H](O)CN(CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000289741332 388887824 /nfs/dbraw/zinc/88/78/24/388887824.db2.gz JRGPEYYQPTUXLA-LLVKDONJSA-N 0 3 284.312 0.649 20 5 CCBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CCN1C ZINC000361065170 389206895 /nfs/dbraw/zinc/20/68/95/389206895.db2.gz ILWXLPMKVLCKRH-IUCAKERBSA-N 0 3 293.327 0.983 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415382176 389679450 /nfs/dbraw/zinc/67/94/50/389679450.db2.gz KARHEDYPDZYKLF-DTWKUNHWSA-N 0 3 279.300 0.626 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1CNC1 ZINC000415739154 389701010 /nfs/dbraw/zinc/70/10/10/389701010.db2.gz UQOGVESPIADQNK-UHFFFAOYSA-N 0 3 292.295 0.272 20 5 CCBDHN C[C@H]1[C@H](CO)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000488758916 390096071 /nfs/dbraw/zinc/09/60/71/390096071.db2.gz BZNSLWIPVSPJRJ-QWRGUYRKSA-N 0 3 281.312 0.459 20 5 CCBDHN C[C@@]1(CO)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000544760483 390310645 /nfs/dbraw/zinc/31/06/45/390310645.db2.gz FIYWDYZOKYDUKB-ZDUSSCGKSA-N 0 3 281.312 0.603 20 5 CCBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000583964265 390327572 /nfs/dbraw/zinc/32/75/72/390327572.db2.gz BNQQMKMTAASROY-VIFPVBQESA-N 0 3 293.327 0.644 20 5 CCBDHN COc1ccc(CNC(=O)CNC2CC2)cc1[N+](=O)[O-] ZINC000566096855 390576961 /nfs/dbraw/zinc/57/69/61/390576961.db2.gz KGAUQTPISOKDHU-UHFFFAOYSA-N 0 3 279.296 0.972 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000566868296 390656294 /nfs/dbraw/zinc/65/62/94/390656294.db2.gz YXQBRUZMWJXRDO-ZETCQYMHSA-N 0 3 253.262 0.142 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000577814041 390845803 /nfs/dbraw/zinc/84/58/03/390845803.db2.gz NWDDRJZVFAMXOA-JSGCOSHPSA-N 0 3 280.324 0.812 20 5 CCBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])nn1C)C1CC1 ZINC000356465404 144005212 /nfs/dbraw/zinc/00/52/12/144005212.db2.gz LJRBYQAFIDFKDJ-UHFFFAOYSA-N 0 3 267.289 0.152 20 5 CCBDHN Cc1cc(C(=O)NC[C@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000358063889 144148362 /nfs/dbraw/zinc/14/83/62/144148362.db2.gz JSCGETCHBDKSOP-CQSZACIVSA-N 0 3 293.323 0.700 20 5 CCBDHN CN1C[C@@H]2CCCN(c3c([N+](=O)[O-])ncn3C)[C@@H]2C1 ZINC000425280728 277196006 /nfs/dbraw/zinc/19/60/06/277196006.db2.gz IIJMBEWTPIKPAM-VHSXEESVSA-N 0 3 265.317 0.859 20 5 CCBDHN CO[C@@H](CN)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000353192317 277628780 /nfs/dbraw/zinc/62/87/80/277628780.db2.gz XWKDMYNTNGNTNU-NSHDSACASA-N 0 3 265.269 0.458 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C[NH3+])c1C ZINC000347636434 281015938 /nfs/dbraw/zinc/01/59/38/281015938.db2.gz XEMZLHMFIXAXGP-MRVPVSSYSA-N 0 3 287.341 0.837 20 5 CCBDHN CN(CCN1CCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000332336976 289648869 /nfs/dbraw/zinc/64/88/69/289648869.db2.gz RDHAIXVVGYGTQF-UHFFFAOYSA-N 0 3 281.316 0.346 20 5 CCBDHN COCCN(C)C[C@@H](O)Cn1cc(C)c([N+](=O)[O-])n1 ZINC000388785406 328303376 /nfs/dbraw/zinc/30/33/76/328303376.db2.gz RBSUDVDYGAWMMJ-SNVBAGLBSA-N 0 3 272.305 0.039 20 5 CCBDHN COc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000157361794 523707067 /nfs/dbraw/zinc/70/70/67/523707067.db2.gz WFGVHRSFFNTYHU-JTQLQIEISA-N 0 3 295.295 0.322 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000157353959 526622812 /nfs/dbraw/zinc/62/28/12/526622812.db2.gz STLGUVOROCKHHP-SECBINFHSA-N 0 3 299.714 0.966 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000358038610 536480737 /nfs/dbraw/zinc/48/07/37/536480737.db2.gz BGYYHXSISHJJQR-NSHDSACASA-N 0 3 285.325 0.453 20 5 CCBDHN CC(C)N(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCC(=O)N1 ZINC000412073153 528917188 /nfs/dbraw/zinc/91/71/88/528917188.db2.gz IYBIZDRUBDIMNW-LLVKDONJSA-N 0 3 295.343 0.780 20 5 CCBDHN COCCCN(CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782576796 581308356 /nfs/dbraw/zinc/30/83/56/581308356.db2.gz INWJGOIZIJBGEO-AWEZNQCLSA-N 0 3 298.339 0.959 20 5 CCBDHN CC(=O)N[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1CCCC1 ZINC000813104730 613950035 /nfs/dbraw/zinc/95/00/35/613950035.db2.gz QUWJTOXHKHFTOI-LDYMZIIASA-N 0 3 272.301 0.890 20 5 CCBDHN CC(C)(CCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[N+](=O)[O-] ZINC000822880168 614081792 /nfs/dbraw/zinc/08/17/92/614081792.db2.gz ZCRUOSKBADQCNN-NEPJUHHUSA-N 0 3 299.371 0.801 20 5 CCBDHN CC(C)N1CCO[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842334189 614363367 /nfs/dbraw/zinc/36/33/67/614363367.db2.gz PFBSOTYJIZOJAU-GMTAPVOTSA-N 0 3 272.301 0.304 20 5 CCBDHN CCCN(CCN(C)C)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932035426 614579147 /nfs/dbraw/zinc/57/91/47/614579147.db2.gz XMJXPISLHZQJMZ-UHFFFAOYSA-N 0 3 297.359 0.900 20 5 CCBDHN CCOC(=O)C1(C(=O)OCC(C)[N+](=O)[O-])CCOCC1 ZINC000813113978 615155584 /nfs/dbraw/zinc/15/55/84/615155584.db2.gz KOFGRUUHZUOBGK-VIFPVBQESA-N 0 3 289.284 0.555 20 5 CCBDHN CN(C)C[C@H]1NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000927172545 615950195 /nfs/dbraw/zinc/95/01/95/615950195.db2.gz AYBAPMVDOPTYEW-SNVBAGLBSA-N 0 3 278.268 0.581 20 5 CCBDHN CN(CCO)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000925013441 616103742 /nfs/dbraw/zinc/10/37/42/616103742.db2.gz BHUHOJAOEZRWBN-UHFFFAOYSA-N 0 3 281.312 0.178 20 5 CCBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CO ZINC000930354986 616124837 /nfs/dbraw/zinc/12/48/37/616124837.db2.gz UCKAHXZPUFVANY-LBPRGKRZSA-N 0 3 254.286 0.422 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874833244 616216096 /nfs/dbraw/zinc/21/60/96/616216096.db2.gz LGAWWEWNLWFBBC-UWVGGRQHSA-N 0 3 293.327 0.637 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000816951733 616360012 /nfs/dbraw/zinc/36/00/12/616360012.db2.gz VHQNURSEDCEGRG-GWCFXTLKSA-N 0 3 290.323 0.953 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC000816954036 616390985 /nfs/dbraw/zinc/39/09/85/616390985.db2.gz RUJDNWYLGUIEDZ-LDYMZIIASA-N 0 3 291.311 0.348 20 5 CCBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1ccncc1Cl ZINC000905370540 634855970 /nfs/dbraw/zinc/85/59/70/634855970.db2.gz FLXALIZZQPUKRV-SECBINFHSA-N 0 3 273.720 0.752 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN(C)C)c1C ZINC000908201777 635312582 /nfs/dbraw/zinc/31/25/82/635312582.db2.gz RFJAPZQWWPPUAP-LLVKDONJSA-N 0 3 295.339 0.864 20 5 CCBDHN Cc1c(CNC(=O)C[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000231857093 637232244 /nfs/dbraw/zinc/23/22/44/637232244.db2.gz AMGRLBBTECSORD-LBPRGKRZSA-N 0 3 293.323 0.898 20 5 CCBDHN CC(COC(=O)c1cccc(OCC(N)=O)c1)[N+](=O)[O-] ZINC000813103785 641021979 /nfs/dbraw/zinc/02/19/79/641021979.db2.gz TXQNLKLTKUBHJV-QMMMGPOBSA-N 0 3 282.252 0.373 20 5 CCBDHN CC(COC(=O)[C@]12CCC(=O)N1CCS2)[N+](=O)[O-] ZINC000813103537 641022115 /nfs/dbraw/zinc/02/21/15/641022115.db2.gz QDQNADHUCGNYPM-OIBJUYFYSA-N 0 3 274.298 0.260 20 5 CCBDHN CC(COC(=O)C1(C)COC(C)(C)OC1)[N+](=O)[O-] ZINC000813107519 641022933 /nfs/dbraw/zinc/02/29/33/641022933.db2.gz RTJUMXRVBWXRHZ-QMMMGPOBSA-N 0 3 261.274 0.984 20 5 CCBDHN Cc1nn(C)c(C)c1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107726 641023330 /nfs/dbraw/zinc/02/33/30/641023330.db2.gz VCPHWJALOJUGSH-SSDOTTSWSA-N 0 3 271.273 0.624 20 5 CCBDHN CC(COC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)[N+](=O)[O-] ZINC000816091733 641140917 /nfs/dbraw/zinc/14/09/17/641140917.db2.gz GTVQOYLFGDLVTD-RNFRBKRXSA-N 0 3 298.217 0.748 20 5 CCBDHN CC(COC(=O)/C=C/c1ccc(C(N)=O)o1)[N+](=O)[O-] ZINC000853127057 644077561 /nfs/dbraw/zinc/07/75/61/644077561.db2.gz OFEYBVWOHSWXSX-MZTFZBDOSA-N 0 3 268.225 0.600 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(F)CC2)c1 ZINC000880242427 647174306 /nfs/dbraw/zinc/17/43/06/647174306.db2.gz YQYFOZYDZLFACY-NSHDSACASA-N 0 3 272.280 0.586 20 5 CCBDHN Cc1cnc(NCCN(C)CCO)c([N+](=O)[O-])c1 ZINC000884825003 647807756 /nfs/dbraw/zinc/80/77/56/647807756.db2.gz ZPONAPPZIWDTKW-UHFFFAOYSA-N 0 3 254.290 0.634 20 5 CCBDHN CN(C)C1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC001150029906 800312942 /nfs/dbraw/zinc/31/29/42/800312942.db2.gz HBIOXGOHHMSIGX-UHFFFAOYSA-N 0 3 295.343 0.782 20 5 CCBDHN CN1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]21 ZINC001157259459 801336371 /nfs/dbraw/zinc/33/63/71/801336371.db2.gz FEKQCETZPBCFHX-PWSUYJOCSA-N 0 3 278.312 0.759 20 5 CCBDHN C[C@H](Nc1ncc(F)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159494842 801818989 /nfs/dbraw/zinc/81/89/89/801818989.db2.gz AEUUTSJGGPSWDI-OIBJUYFYSA-N 0 3 270.264 0.918 20 5 CCBDHN C[C@H](Nc1cc(N)c([N+](=O)[O-])cn1)[C@@H]1CNCCO1 ZINC001159497949 801822806 /nfs/dbraw/zinc/82/28/06/801822806.db2.gz JXLJOXZBOVBKMS-XVKPBYJWSA-N 0 3 267.289 0.361 20 5 CCBDHN NCc1cn(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])cn1 ZINC001162296331 802302687 /nfs/dbraw/zinc/30/26/87/802302687.db2.gz FJJFHQKIWQHTLR-UHFFFAOYSA-N 0 3 269.648 0.526 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(-n2nc(CN)cc2C)n1 ZINC001163977473 802643733 /nfs/dbraw/zinc/64/37/33/802643733.db2.gz CJFLBOXOVVMNFV-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN COC(=O)c1ncc([N+](=O)[O-])cc1-n1nc(CN)cc1C ZINC001163988125 802646347 /nfs/dbraw/zinc/64/63/47/802646347.db2.gz HQHAXZGTCXLYIQ-UHFFFAOYSA-N 0 3 291.267 0.729 20 5 CCBDHN O=[N+]([O-])c1cnc(Cl)nc1-n1cnc2c1CNCC2 ZINC001164310174 802718052 /nfs/dbraw/zinc/71/80/52/802718052.db2.gz KIVNFKOBIIXQSF-UHFFFAOYSA-N 0 3 280.675 0.870 20 5 CCBDHN Nc1cc(-n2cnc3c2CNCC3)ncc1[N+](=O)[O-] ZINC001164313903 802720514 /nfs/dbraw/zinc/72/05/14/802720514.db2.gz WFUXCZFKKCFMAF-UHFFFAOYSA-N 0 3 260.257 0.403 20 5 CCBDHN COc1nc(N2CC(C)(N(C)C)C2)ncc1[N+](=O)[O-] ZINC001165117457 802782936 /nfs/dbraw/zinc/78/29/36/802782936.db2.gz WBHJXCIXAZUJNX-UHFFFAOYSA-N 0 3 267.289 0.534 20 5 CCBDHN O=[N+]([O-])c1cnc(O[C@H]2CCC[NH2+]C2)c2[n-]cnc21 ZINC001218282935 803944573 /nfs/dbraw/zinc/94/45/73/803944573.db2.gz FRSHJRKNYFJUFQ-ZETCQYMHSA-N 0 3 263.257 0.997 20 5 CCBDHN N=c1ncc(CN)cn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997266 836094279 /nfs/dbraw/zinc/09/42/79/836094279.db2.gz YIEXPHGTDOGKHF-WCBMZHEXSA-N 0 3 251.290 0.439 20 5 CCBDHN COc1cc(C)c([N+](=O)[O-])cc1-n1nncc1CN ZINC001169310517 836210772 /nfs/dbraw/zinc/21/07/72/836210772.db2.gz ZSJLPRYFVJXMOC-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN C[C@H](Nc1nccnc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170561418 838099579 /nfs/dbraw/zinc/09/95/79/838099579.db2.gz FBGQMYATFYPPIK-YUMQZZPRSA-N 0 3 253.262 0.174 20 5 CCBDHN COc1ncc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CNCCO2)n1 ZINC001170566281 838126423 /nfs/dbraw/zinc/12/64/23/838126423.db2.gz XMIAZUJQQNZXNE-CBAPKCEASA-N 0 3 283.288 0.182 20 5 CCBDHN CC(COC(=O)c1ccnc2c1ncn2C)[N+](=O)[O-] ZINC000813102026 838675944 /nfs/dbraw/zinc/67/59/44/838675944.db2.gz NGDZCZYUBOUDAL-SSDOTTSWSA-N 0 3 264.241 0.790 20 5 CCBDHN CC(COC(=O)CCCNC(=O)c1cccnc1)[N+](=O)[O-] ZINC000813102514 838676884 /nfs/dbraw/zinc/67/68/84/838676884.db2.gz HBMWZBFCCDBJRJ-JTQLQIEISA-N 0 3 295.295 0.800 20 5 CCBDHN COC(=O)c1ccnc(N2CCNC3(CC3)C2)c1[N+](=O)[O-] ZINC001158936680 838693375 /nfs/dbraw/zinc/69/33/75/838693375.db2.gz OHAIRPWMTFLAHD-UHFFFAOYSA-N 0 3 292.295 0.719 20 5 CCBDHN NC(=O)[C@H](CO)N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903753 841981194 /nfs/dbraw/zinc/98/11/94/841981194.db2.gz TTWOODJTMKVARM-YPMHNXCESA-N 0 3 293.323 0.278 20 5 CCBDHN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001322682272 911912281 /nfs/dbraw/zinc/91/22/81/911912281.db2.gz GUGQRKDLMYMNCM-NWDGAFQWSA-N 0 3 292.339 0.995 20 5 CCBDHN Nc1nc(N)nc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001329745817 916162349 /nfs/dbraw/zinc/16/23/49/916162349.db2.gz OHFINUHBMBPXFZ-UHFFFAOYSA-N 0 3 287.283 0.507 20 5 CCBDHN CO[C@@H](CN)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001333178990 918712031 /nfs/dbraw/zinc/71/20/31/918712031.db2.gz ZBTMOVXRTTXWNZ-NSHDSACASA-N 0 3 265.269 0.411 20 5 CCBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001342553322 923001469 /nfs/dbraw/zinc/00/14/69/923001469.db2.gz JITQHBUTKYCBRJ-OUAUKWLOSA-N 0 3 295.343 0.779 20 5 CCBDHN CN(CCO)CCN(C)c1cccnc1[N+](=O)[O-] ZINC001355322588 926237294 /nfs/dbraw/zinc/23/72/94/926237294.db2.gz PWLOWVROQQWYOT-UHFFFAOYSA-N 0 3 254.290 0.350 20 5 CCBDHN COc1ccc(S(=O)(=O)[N-]C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000111302262 349770142 /nfs/dbraw/zinc/77/01/42/349770142.db2.gz RWIFQSIQZQADRM-ZETCQYMHSA-N 0 3 289.313 0.229 20 5 CCBDHN O=C(CN1CCNCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000602458900 362627614 /nfs/dbraw/zinc/62/76/14/362627614.db2.gz QPWWCUFLACKWBW-UHFFFAOYSA-N 0 3 292.339 0.159 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)[C@H]1CCO[C@H]1C ZINC000602822258 362818236 /nfs/dbraw/zinc/81/82/36/362818236.db2.gz ULWRBHWVHHPJRH-JQWIXIFHSA-N 0 3 298.343 0.571 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343474028 137137633 /nfs/dbraw/zinc/13/76/33/137137633.db2.gz COROBEPBCJMASP-MWLCHTKSSA-N 0 3 281.316 0.390 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344026254 137173697 /nfs/dbraw/zinc/17/36/97/137173697.db2.gz BRTSDTCKVPUWPR-DRZSPHRISA-N 0 3 293.323 0.459 20 5 CCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCNCC1 ZINC000019434092 348062131 /nfs/dbraw/zinc/06/21/31/348062131.db2.gz FEIDTESYKZGCMD-UHFFFAOYSA-N 0 3 263.297 0.959 20 5 CCBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000042073302 348266581 /nfs/dbraw/zinc/26/65/81/348266581.db2.gz IFMOBTQKJTVADR-UHFFFAOYSA-N 0 3 284.316 0.621 20 5 CCBDHN C[C@](CO)(NCCCO)c1cccc([N+](=O)[O-])c1 ZINC000602965318 362912686 /nfs/dbraw/zinc/91/26/86/362912686.db2.gz BZNASCUYYWZJBX-GFCCVEGCSA-N 0 3 254.286 0.774 20 5 CCBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CN2CCC1CC2 ZINC000347916541 137363989 /nfs/dbraw/zinc/36/39/89/137363989.db2.gz AHXMJMDTFJKYRQ-NSHDSACASA-N 0 3 293.327 0.344 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@H](C)[NH3+] ZINC000063171201 348680959 /nfs/dbraw/zinc/68/09/59/348680959.db2.gz WFIKEGRTDIKFBU-VIFPVBQESA-N 0 3 287.341 0.919 20 5 CCBDHN Cc1cccnc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000071340098 348908135 /nfs/dbraw/zinc/90/81/35/348908135.db2.gz WLUPXUATAMNRQR-LBPRGKRZSA-N 0 3 291.311 0.645 20 5 CCBDHN Nc1nc(N[C@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000076269024 349076815 /nfs/dbraw/zinc/07/68/15/349076815.db2.gz UUFPHTRHZAHPPB-ZETCQYMHSA-N 0 3 264.289 0.616 20 5 CCBDHN Cc1nn(C)c(NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000078771202 349152009 /nfs/dbraw/zinc/15/20/09/349152009.db2.gz CMKVRQICJOPURC-MNOVXSKESA-N 0 3 295.343 0.912 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN[C@@H](C)C1 ZINC000091549778 180189002 /nfs/dbraw/zinc/18/90/02/180189002.db2.gz UEAIMMUJLYDYRB-QMMMGPOBSA-N 0 3 253.306 0.918 20 5 CCBDHN O=[N+]([O-])c1c(NC[C@@H]2CNCCO2)nc2sccn21 ZINC000134267039 350359178 /nfs/dbraw/zinc/35/91/78/350359178.db2.gz IWIMOEYYTZMVCZ-ZETCQYMHSA-N 0 3 283.313 0.704 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CNCCO2)n1 ZINC000134272815 350359349 /nfs/dbraw/zinc/35/93/49/350359349.db2.gz DINCUJFYMYVHCY-SECBINFHSA-N 0 3 252.274 0.699 20 5 CCBDHN O=[N+]([O-])c1ccccc1OCCN(CCO)CCCO ZINC000109798085 186273245 /nfs/dbraw/zinc/27/32/45/186273245.db2.gz SOABIRLRRLTIJS-UHFFFAOYSA-N 0 3 284.312 0.650 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@](C)(O)C1 ZINC000163598226 350768939 /nfs/dbraw/zinc/76/89/39/350768939.db2.gz JTRXCVQSSZJLGU-GFCCVEGCSA-N 0 3 268.317 0.947 20 5 CCBDHN CN1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000163805514 350773221 /nfs/dbraw/zinc/77/32/21/350773221.db2.gz DDMVTPAJIFMYGM-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN CCN1CCCC[C@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271414402 191123800 /nfs/dbraw/zinc/12/38/00/191123800.db2.gz OVMKLGDPTZFGNZ-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN CO[C@H](CN)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000227361075 352047661 /nfs/dbraw/zinc/04/76/61/352047661.db2.gz NLGGBRMTBUKHME-GZMMTYOYSA-N 0 3 267.285 0.746 20 5 CCBDHN CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000227885536 352061615 /nfs/dbraw/zinc/06/16/15/352061615.db2.gz VCFRCQRVTGGISR-VIFPVBQESA-N 0 3 293.327 0.738 20 5 CCBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000237319039 352260799 /nfs/dbraw/zinc/26/07/99/352260799.db2.gz HNNIPUNWQMLETJ-UHFFFAOYSA-N 0 3 297.311 0.569 20 5 CCBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247037791 352394810 /nfs/dbraw/zinc/39/48/10/352394810.db2.gz HYJQRHUNPSNUSR-ZYHUDNBSSA-N 0 3 295.343 0.636 20 5 CCBDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249008696 352472791 /nfs/dbraw/zinc/47/27/91/352472791.db2.gz IIWVGXKTGNCLHP-LFSVMHDDSA-N 0 3 298.343 0.386 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000268133252 352809826 /nfs/dbraw/zinc/80/98/26/352809826.db2.gz IUDXFLCWXZMEGS-VXNVDRBHSA-N 0 3 278.316 0.862 20 5 CCBDHN CCN(CCOC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270601707 352955222 /nfs/dbraw/zinc/95/52/22/352955222.db2.gz WRHIQPQEOSAUTB-UHFFFAOYSA-N 0 3 269.301 0.725 20 5 CCBDHN CN1CC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000272412325 353061606 /nfs/dbraw/zinc/06/16/06/353061606.db2.gz JDANCLRREGWPBD-SECBINFHSA-N 0 3 278.312 0.859 20 5 CCBDHN COCCNCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000152268650 188006053 /nfs/dbraw/zinc/00/60/53/188006053.db2.gz NUEHPNAWYFDABT-UHFFFAOYSA-N 0 3 281.312 0.869 20 5 CCBDHN CC[C@@H]1CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292320494 198243480 /nfs/dbraw/zinc/24/34/80/198243480.db2.gz FGTMALBZMQYFSN-KOLCDFICSA-N 0 3 254.290 0.637 20 5 CCBDHN CO[C@@H](CN)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000289608080 353688291 /nfs/dbraw/zinc/68/82/91/353688291.db2.gz OBKHIYBOUBPDCI-NSHDSACASA-N 0 3 282.300 0.097 20 5 CCBDHN CN1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)C1 ZINC000293920625 353851236 /nfs/dbraw/zinc/85/12/36/353851236.db2.gz ILUKOVVWIJOCTG-ZDUSSCGKSA-N 0 3 293.327 0.876 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299311457 354007724 /nfs/dbraw/zinc/00/77/24/354007724.db2.gz VTXFHYHCHKGDJE-MRVPVSSYSA-N 0 3 252.274 0.747 20 5 CCBDHN Cc1nn(C)c(NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000301267392 354075110 /nfs/dbraw/zinc/07/51/10/354075110.db2.gz IOTGONFWLMEQGB-UHFFFAOYSA-N 0 3 297.359 0.895 20 5 CCBDHN CC(C)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304356541 354114435 /nfs/dbraw/zinc/11/44/35/354114435.db2.gz SKPJBTSZUAHNRB-CYBMUJFWSA-N 0 3 297.359 0.178 20 5 CCBDHN CN(CCc1cccc([N+](=O)[O-])c1)[C@H]1COC[C@H]1O ZINC000361379604 138032637 /nfs/dbraw/zinc/03/26/37/138032637.db2.gz VSWJUMXBSNBHCB-QWHCGFSZSA-N 0 3 266.297 0.829 20 5 CCBDHN COCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532398374 358510399 /nfs/dbraw/zinc/51/03/99/358510399.db2.gz FWMQDZCLIZEGIS-UHFFFAOYSA-N 0 3 296.327 0.688 20 5 CCBDHN Cc1nc(N2CC[C@H](OCCN(C)C)C2)ncc1[N+](=O)[O-] ZINC000450387341 236084148 /nfs/dbraw/zinc/08/41/48/236084148.db2.gz IRORLYDEWHVHQC-NSHDSACASA-N 0 3 295.343 0.850 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCCN2CCO)nc1 ZINC000450609127 236100510 /nfs/dbraw/zinc/10/05/10/236100510.db2.gz DVBJXQXFKVLWRG-JTQLQIEISA-N 0 3 281.316 0.065 20 5 CCBDHN CN(CC1CCN(C)CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000567919239 358614945 /nfs/dbraw/zinc/61/49/45/358614945.db2.gz SYZMXZZKDHXEHH-UHFFFAOYSA-N 0 3 281.316 0.732 20 5 CCBDHN C[C@@H]1NCCN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@H]1C ZINC000568512717 358681940 /nfs/dbraw/zinc/68/19/40/358681940.db2.gz FRQAKYAPBQPTHN-YUMQZZPRSA-N 0 3 267.289 0.151 20 5 CCBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586776416 359289315 /nfs/dbraw/zinc/28/93/15/359289315.db2.gz MIUJZBUPXKASSG-SECBINFHSA-N 0 3 279.300 0.532 20 5 CCBDHN CO[C@H]1C[C@@H](CN(C)c2c([N+](=O)[O-])c(C)nn2C)N(C)C1 ZINC000585783558 359272891 /nfs/dbraw/zinc/27/28/91/359272891.db2.gz XVUFIPNPLSBGHV-QWRGUYRKSA-N 0 3 297.359 0.792 20 5 CCBDHN Cc1nn(C)c(N2CCNC[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000591442191 359592965 /nfs/dbraw/zinc/59/29/65/359592965.db2.gz ORGMUNSWCGQIDK-LLVKDONJSA-N 0 3 271.296 0.775 20 5 CCBDHN Cc1n[nH]c(C(=O)NC[C@@H]2C[C@H](F)CN2)c1[N+](=O)[O-] ZINC000592337695 359821781 /nfs/dbraw/zinc/82/17/81/359821781.db2.gz IVZZYVBTNVRHAY-BQBZGAKWSA-N 0 3 271.252 0.056 20 5 CCBDHN CC1(OCC(=O)NCCc2ccccc2[N+](=O)[O-])CNC1 ZINC000592537565 359877548 /nfs/dbraw/zinc/87/75/48/359877548.db2.gz AJIXCTVSJKFJJJ-UHFFFAOYSA-N 0 3 293.323 0.632 20 5 CCBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc([N+](=O)[O-])c[nH]1 ZINC000592554153 359884855 /nfs/dbraw/zinc/88/48/55/359884855.db2.gz FBRHXCJIWBLNIW-BQBZGAKWSA-N 0 3 256.237 0.353 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@H](CN)C(F)(F)F)c1[N+](=O)[O-] ZINC000594452061 360316224 /nfs/dbraw/zinc/31/62/24/360316224.db2.gz WOQLBZDJQNGQLU-SCSAIBSYSA-N 0 3 281.194 0.246 20 5 CCBDHN COC(=O)c1cc(OC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000594697934 360362080 /nfs/dbraw/zinc/36/20/80/360362080.db2.gz AUNUQVTVMMFDCA-JTQLQIEISA-N 0 3 296.279 0.749 20 5 CCBDHN [NH3+][C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000595107983 360436715 /nfs/dbraw/zinc/43/67/15/360436715.db2.gz NVQTUJIKWJTLIY-SECBINFHSA-N 0 3 286.313 0.005 20 5 CCBDHN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595102268 360436903 /nfs/dbraw/zinc/43/69/03/360436903.db2.gz IOHBHKXEQRVNBX-VIFPVBQESA-N 0 3 288.329 0.251 20 5 CCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@]1(C)CO ZINC000595879833 360688324 /nfs/dbraw/zinc/68/83/24/360688324.db2.gz XPWOALLIWXMXEU-CMPLNLGQSA-N 0 3 268.317 0.742 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2CCC(CO)(CO)C2)cc1 ZINC000595802020 360658961 /nfs/dbraw/zinc/65/89/61/360658961.db2.gz YELHYAARGVSSBD-UHFFFAOYSA-N 0 3 280.324 0.814 20 5 CCBDHN O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H]1CNCCO1)CC2 ZINC000595894845 360694979 /nfs/dbraw/zinc/69/49/79/360694979.db2.gz ZKWMIPHVBQZTNL-LBPRGKRZSA-N 0 3 278.312 0.336 20 5 CCBDHN NC(=O)c1ccc(CN2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])c1 ZINC000595905793 360699511 /nfs/dbraw/zinc/69/95/11/360699511.db2.gz FXCBUSMTRSDIRN-GHMZBOCLSA-N 0 3 296.302 0.565 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CC[C@H]1O ZINC000563536302 291235868 /nfs/dbraw/zinc/23/58/68/291235868.db2.gz IJBASOPBKHUCPV-CKYFFXLPSA-N 0 3 282.296 0.447 20 5 CCBDHN O=c1[n-]ccc(NC[C@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000596079074 360790137 /nfs/dbraw/zinc/79/01/37/360790137.db2.gz YBHQUXNRBDJGIQ-JTQLQIEISA-N 0 3 296.327 0.954 20 5 CCBDHN CN(C)CCN(CC(=O)N(C)C)c1ccc([N+](=O)[O-])nc1 ZINC000596463837 360901949 /nfs/dbraw/zinc/90/19/49/360901949.db2.gz TUSMMZVYMWTLAU-UHFFFAOYSA-N 0 3 295.343 0.446 20 5 CCBDHN CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C)C1 ZINC000597946604 361288543 /nfs/dbraw/zinc/28/85/43/361288543.db2.gz QLRGJZHIQNUQLI-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCN(CC)C1 ZINC000598042580 361322426 /nfs/dbraw/zinc/32/24/26/361322426.db2.gz PZHFPAKAVHKAOX-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN O=c1[nH]ccc(NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176798 361600402 /nfs/dbraw/zinc/60/04/02/361600402.db2.gz YSIQKWRISAFILZ-MRVPVSSYSA-N 0 3 268.273 0.174 20 5 CCBDHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599110744 361575361 /nfs/dbraw/zinc/57/53/61/361575361.db2.gz NGUOPGHZLVCTKN-JGVFFNPUSA-N 0 3 286.313 0.019 20 5 CCBDHN CCN(C)CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000516979297 249196717 /nfs/dbraw/zinc/19/67/17/249196717.db2.gz NEGLTTQCHJNJOT-UHFFFAOYSA-N 0 3 281.316 0.135 20 5 CCBDHN O=C1N[C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]2CO1 ZINC000281498440 195265270 /nfs/dbraw/zinc/26/52/70/195265270.db2.gz XWDAGVFACQAPGL-KOLCDFICSA-N 0 3 295.299 0.222 20 5 CCBDHN CN(C)C[C@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000103976364 389079279 /nfs/dbraw/zinc/07/92/79/389079279.db2.gz PTSCVHKBJFBUSI-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000195297513 389122653 /nfs/dbraw/zinc/12/26/53/389122653.db2.gz QHYUTZNVUCICIY-YFKPBYRVSA-N 0 3 265.316 0.282 20 5 CCBDHN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CCCN1C ZINC000343603466 389267411 /nfs/dbraw/zinc/26/74/11/389267411.db2.gz MLVQJINUNQFXMQ-KWQFWETISA-N 0 3 293.327 0.983 20 5 CCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN ZINC000415645655 389695965 /nfs/dbraw/zinc/69/59/65/389695965.db2.gz CEDJXDBIKJKAHT-QMMMGPOBSA-N 0 3 294.311 0.559 20 5 CCBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000416305646 389730845 /nfs/dbraw/zinc/73/08/45/389730845.db2.gz BUFXTDDZLTWYKT-UHFFFAOYSA-N 0 3 253.262 0.142 20 5 CCBDHN C[C@H]1OCC[C@]1(C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000494270579 390161202 /nfs/dbraw/zinc/16/12/02/390161202.db2.gz IQIIJUUWEUKXCM-MFKMUULPSA-N 0 3 281.312 0.914 20 5 CCBDHN CN1CCN(CCCCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000544857090 390313361 /nfs/dbraw/zinc/31/33/61/390313361.db2.gz KJKKHBXGJZLDDM-UHFFFAOYSA-N 0 3 294.359 0.246 20 5 CCBDHN Nc1nc(NC[C@@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000555369879 390453925 /nfs/dbraw/zinc/45/39/25/390453925.db2.gz RUQFRCSUHCKTNB-QMMMGPOBSA-N 0 3 278.316 0.115 20 5 CCBDHN N[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000261899163 131177050 /nfs/dbraw/zinc/17/70/50/131177050.db2.gz WGDOQJOIMBBPFL-CYBMUJFWSA-N 0 3 293.323 0.965 20 5 CCBDHN C[C@@H]1NCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000262727368 131256713 /nfs/dbraw/zinc/25/67/13/131256713.db2.gz AQLBTNWASHRJHM-IUCAKERBSA-N 0 3 267.289 0.000 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262830273 131265559 /nfs/dbraw/zinc/26/55/59/131265559.db2.gz UVJCZBPEUSDXDF-VHSXEESVSA-N 0 3 295.343 0.699 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCN1C ZINC000357042789 144053325 /nfs/dbraw/zinc/05/33/25/144053325.db2.gz SJXLMPLKYIJZCM-BDAKNGLRSA-N 0 3 281.316 0.541 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285658024 196357824 /nfs/dbraw/zinc/35/78/24/196357824.db2.gz MAZWDYOZOWKZMF-GMSGAONNSA-N 0 3 279.300 0.530 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN[C@H](C)C2)n1 ZINC000420220406 274004352 /nfs/dbraw/zinc/00/43/52/274004352.db2.gz ZEHAWVSGVXIHOA-MRVPVSSYSA-N 0 3 280.284 0.575 20 5 CCBDHN CN1CC[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450801251 277149864 /nfs/dbraw/zinc/14/98/64/277149864.db2.gz YYFAOEZZIIKPGP-MFKMUULPSA-N 0 3 290.323 0.834 20 5 CCBDHN C[C@@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040858296 278303844 /nfs/dbraw/zinc/30/38/44/278303844.db2.gz GHQCVEGHHWIIIK-SNVBAGLBSA-N 0 3 278.312 0.591 20 5 CCBDHN CC1(C)COC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000451816692 278356782 /nfs/dbraw/zinc/35/67/82/278356782.db2.gz ZWYURHLQPQNJMH-LLVKDONJSA-N 0 3 281.312 0.771 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCCNCC2)c1[N+](=O)[O-] ZINC000269117457 280187823 /nfs/dbraw/zinc/18/78/23/280187823.db2.gz IDUIFHNSHCXTJV-UHFFFAOYSA-N 0 3 253.262 0.062 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCCNCC2)c1[N+](=O)[O-] ZINC000269117457 280187826 /nfs/dbraw/zinc/18/78/26/280187826.db2.gz IDUIFHNSHCXTJV-UHFFFAOYSA-N 0 3 253.262 0.062 20 5 CCBDHN COc1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000582070430 327830685 /nfs/dbraw/zinc/83/06/85/327830685.db2.gz JJTZQJGXNFBQOE-STQMWFEESA-N 0 3 295.339 0.710 20 5 CCBDHN CCN(CC)CCOC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000772065595 581841600 /nfs/dbraw/zinc/84/16/00/581841600.db2.gz RYXWXJAURTWTDP-UHFFFAOYSA-N 0 3 284.316 0.985 20 5 CCBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000747229948 581935430 /nfs/dbraw/zinc/93/54/30/581935430.db2.gz NKWJSWRYMRRTAO-ZJUUUORDSA-N 0 3 294.311 0.516 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000762721490 581958571 /nfs/dbraw/zinc/95/85/71/581958571.db2.gz NKEPYTYVTIAPLF-ZDUSSCGKSA-N 0 3 297.286 0.530 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000776597100 582083994 /nfs/dbraw/zinc/08/39/94/582083994.db2.gz HFOMFGYRYIGNQP-WQAKAFBOSA-N 0 3 266.297 0.941 20 5 CCBDHN CS(=O)(=O)[C@H]1CCC[C@H](NCC[N+](=O)[O-])C1 ZINC000905134326 617184155 /nfs/dbraw/zinc/18/41/55/617184155.db2.gz TXMHSWYOBJRZIU-IUCAKERBSA-N 0 3 250.320 0.209 20 5 CCBDHN CCCC(=O)N1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110927 614773155 /nfs/dbraw/zinc/77/31/55/614773155.db2.gz MDYYLNIBUUJONX-UWVGGRQHSA-N 0 3 272.301 0.986 20 5 CCBDHN CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000922164397 615257716 /nfs/dbraw/zinc/25/77/16/615257716.db2.gz LOFPZIZKOPGERN-MRVPVSSYSA-N 0 3 252.274 0.747 20 5 CCBDHN CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000922164397 615257718 /nfs/dbraw/zinc/25/77/18/615257718.db2.gz LOFPZIZKOPGERN-MRVPVSSYSA-N 0 3 252.274 0.747 20 5 CCBDHN CCO[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@@H]1CCOC1 ZINC000870377680 615475525 /nfs/dbraw/zinc/47/55/25/615475525.db2.gz SAZHPAMGZWUKKR-AEJSXWLSSA-N 0 3 261.274 0.636 20 5 CCBDHN CN(CCCN1CCN(C)CC1)c1c([N+](=O)[O-])cnn1C ZINC000892452379 616240939 /nfs/dbraw/zinc/24/09/39/616240939.db2.gz MZLINTAXVYTRAK-UHFFFAOYSA-N 0 3 296.375 0.402 20 5 CCBDHN CO[C@@H]1COC[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839201567 616821707 /nfs/dbraw/zinc/82/17/07/616821707.db2.gz UVQILTXAQYRTKY-RWMBFGLXSA-N 0 3 282.296 0.632 20 5 CCBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])c1cnn(C)c1 ZINC000813104846 617002306 /nfs/dbraw/zinc/00/23/06/617002306.db2.gz SINPENJTBBXLMT-APPZFPTMSA-N 0 3 257.246 0.316 20 5 CCBDHN O=C1NCCN1CCNCc1cccc([N+](=O)[O-])c1 ZINC000052926391 623078516 /nfs/dbraw/zinc/07/85/16/623078516.db2.gz CWGHSOAVRIADKZ-UHFFFAOYSA-N 0 3 264.285 0.710 20 5 CCBDHN Cc1cnc(N2CCN(C)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000897097728 632398690 /nfs/dbraw/zinc/39/86/90/632398690.db2.gz OXSLBFHPSLCJMU-UHFFFAOYSA-N 0 3 293.371 0.982 20 5 CCBDHN Cc1nccn1CCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839690591 640349568 /nfs/dbraw/zinc/34/95/68/640349568.db2.gz YCOAQASPTOITEM-GHMZBOCLSA-N 0 3 266.301 0.753 20 5 CCBDHN CC(COC(=O)c1cn(C2CCOCC2)nn1)[N+](=O)[O-] ZINC000813108084 641022944 /nfs/dbraw/zinc/02/29/44/641022944.db2.gz AFMNITJLFYDURN-MRVPVSSYSA-N 0 3 284.272 0.452 20 5 CCBDHN CC(COC(=O)c1cn(CC(=O)C(C)(C)C)nn1)[N+](=O)[O-] ZINC000813107294 641023572 /nfs/dbraw/zinc/02/35/72/641023572.db2.gz OPIBIBYVOSKSIF-QMMMGPOBSA-N 0 3 298.299 0.715 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107437 641023815 /nfs/dbraw/zinc/02/38/15/641023815.db2.gz QKILRAZXKCNMMY-ZETCQYMHSA-N 0 3 286.244 0.698 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)[N+](=O)[O-] ZINC000813115258 641024921 /nfs/dbraw/zinc/02/49/21/641024921.db2.gz NWJMHLZXGWAFMI-NXEZZACHSA-N 0 3 296.279 0.837 20 5 CCBDHN C[C@H](C[S@@](C)=O)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819224562 641390751 /nfs/dbraw/zinc/39/07/51/641390751.db2.gz IMQWQMNJEQFLDZ-JNGGQTBLSA-N 0 3 286.353 0.985 20 5 CCBDHN O=[N+]([O-])c1cccc([C@H](O)CNC2COCCOC2)c1 ZINC000819326177 641401622 /nfs/dbraw/zinc/40/16/22/641401622.db2.gz LNCSQHRAJVUMAP-CYBMUJFWSA-N 0 3 282.296 0.633 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCCN1C ZINC000827625207 642029777 /nfs/dbraw/zinc/02/97/77/642029777.db2.gz LIPDMRWVGFUKIL-JTQLQIEISA-N 0 3 281.316 0.310 20 5 CCBDHN CC(COC(=O)/C=C\c1ccc(C(N)=O)o1)[N+](=O)[O-] ZINC000853127056 644077830 /nfs/dbraw/zinc/07/78/30/644077830.db2.gz OFEYBVWOHSWXSX-GLCRXLCDSA-N 0 3 268.225 0.600 20 5 CCBDHN Cc1nn(C)c(N[C@H]2CCN(CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC000865999897 645456776 /nfs/dbraw/zinc/45/67/76/645456776.db2.gz ZSISSTPJWPQSOP-JTQLQIEISA-N 0 3 297.359 0.894 20 5 CCBDHN Cn1cc(CN[C@@H]2CCOC23CCOCC3)c([N+](=O)[O-])n1 ZINC000934399900 649174167 /nfs/dbraw/zinc/17/41/67/649174167.db2.gz QQQHOLMKPAJTTC-LLVKDONJSA-N 0 3 296.327 0.756 20 5 CCBDHN N=c1cc(CN)ncn1-c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167359254 790967389 /nfs/dbraw/zinc/96/73/89/790967389.db2.gz NVFCIOMIMHRYAE-UHFFFAOYSA-N 0 3 286.295 0.322 20 5 CCBDHN CC1(C)C[C@@H](NCC[N+](=O)[O-])CCS1(=O)=O ZINC001120523340 798845706 /nfs/dbraw/zinc/84/57/06/798845706.db2.gz FKCQSWVIKPIZNR-QMMMGPOBSA-N 0 3 250.320 0.209 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CCN1C ZINC001155894677 801072011 /nfs/dbraw/zinc/07/20/11/801072011.db2.gz XDXGYMRCFDFFJM-UFBFGSQYSA-N 0 3 278.312 0.999 20 5 CCBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1N)[C@@H]1CNCCO1 ZINC001159500798 801827230 /nfs/dbraw/zinc/82/72/30/801827230.db2.gz TYWSTMDKDFOAIN-XCBNKYQSSA-N 0 3 267.289 0.361 20 5 CCBDHN O=c1[nH]ccc(N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001164234528 802693040 /nfs/dbraw/zinc/69/30/40/802693040.db2.gz RHHRBUWKYTZNOX-QMMMGPOBSA-N 0 3 280.284 0.263 20 5 CCBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(N)=O ZINC001254531539 808257070 /nfs/dbraw/zinc/25/70/70/808257070.db2.gz GZEMPTJMRCUOBN-IUCAKERBSA-N 0 3 251.286 0.989 20 5 CCBDHN CN1CC[C@H](N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001254580759 808262680 /nfs/dbraw/zinc/26/26/80/808262680.db2.gz FPAHGPOEHLHBMM-AAEUAGOBSA-N 0 3 275.308 0.882 20 5 CCBDHN CC[C@](N)(CO)N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580924 808263031 /nfs/dbraw/zinc/26/30/31/808263031.db2.gz IACOVFMWUNRCKV-DGCLKSJQSA-N 0 3 265.313 0.709 20 5 CCBDHN O=C1C[C@@H]2[NH2+]CC[C@]2([N-]c2nccc(Cl)c2[N+](=O)[O-])N1 ZINC001155570690 822186586 /nfs/dbraw/zinc/18/65/86/822186586.db2.gz OUJFYHFNTAHEMW-WRWORJQWSA-N 0 3 297.702 0.633 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)S(=O)(=O)CCN)n1 ZINC001156236355 836063796 /nfs/dbraw/zinc/06/37/96/836063796.db2.gz GNPOBTKDKXOLHO-UHFFFAOYSA-N 0 3 288.329 0.331 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)C1 ZINC001169012443 836098812 /nfs/dbraw/zinc/09/88/12/836098812.db2.gz QENUWQKLCSFAHZ-PEBLQZBPSA-N 0 3 284.356 0.904 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)C1 ZINC001169012440 836098840 /nfs/dbraw/zinc/09/88/40/836098840.db2.gz QENUWQKLCSFAHZ-IKOXMDCHSA-N 0 3 284.356 0.904 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC3(C2)OCCO3)C1 ZINC001169027488 836104788 /nfs/dbraw/zinc/10/47/88/836104788.db2.gz QHKYSRHRTDILPV-MNOVXSKESA-N 0 3 256.302 0.881 20 5 CCBDHN O=C1CC[C@@H]2CN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035241 836111044 /nfs/dbraw/zinc/11/10/44/836111044.db2.gz JPZXAXOPAWEPPK-GRYCIOLGSA-N 0 3 267.329 0.738 20 5 CCBDHN CCOC(=O)C1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037276 836111953 /nfs/dbraw/zinc/11/19/53/836111953.db2.gz RTKGJFZCTXNRJS-ONGXEEELSA-N 0 3 256.302 0.927 20 5 CCBDHN COc1ncc([N+](=O)[O-])c(-n2ccc([C@H](C)N)n2)n1 ZINC001169228050 836163882 /nfs/dbraw/zinc/16/38/82/836163882.db2.gz LCGARUHLJASFDQ-LURJTMIESA-N 0 3 264.245 0.599 20 5 CCBDHN C[C@H](N)c1ccn(-c2cc([N+](=O)[O-])c3nncn3c2)n1 ZINC001169234319 836166584 /nfs/dbraw/zinc/16/65/84/836166584.db2.gz GSEGAHIJKHOITJ-ZETCQYMHSA-N 0 3 273.256 0.843 20 5 CCBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1-n1nncc1CN ZINC001169309667 836208698 /nfs/dbraw/zinc/20/86/98/836208698.db2.gz IHGQXWSZJLELTE-UHFFFAOYSA-N 0 3 291.267 0.811 20 5 CCBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CNCCO1 ZINC001170557909 838076250 /nfs/dbraw/zinc/07/62/50/838076250.db2.gz ITSAVJMFZFXGBH-PSASIEDQSA-N 0 3 252.274 0.779 20 5 CCBDHN C[C@@H](Nc1cc([N+](=O)[O-])cc[n+]1[O-])[C@H]1CNCCO1 ZINC001159488404 839299060 /nfs/dbraw/zinc/29/90/60/839299060.db2.gz CVKKDBWGPZJVPV-PSASIEDQSA-N 0 3 268.273 0.017 20 5 CCBDHN CCN(CC)CC(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093646880 841402286 /nfs/dbraw/zinc/40/22/86/841402286.db2.gz PFLCEAJUFVAPCM-UHFFFAOYSA-N 0 3 295.343 0.860 20 5 CCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCN(CCF)C2 ZINC001072725905 854452590 /nfs/dbraw/zinc/45/25/90/854452590.db2.gz VMIFHDWSPUSWMN-NXEZZACHSA-N 0 3 271.292 0.155 20 5 CCBDHN CC(COC(=O)[C@H]1CNC(=O)c2ccccc21)[N+](=O)[O-] ZINC000860777711 900747642 /nfs/dbraw/zinc/74/76/42/900747642.db2.gz UBJQZLSGZLNJDB-KCJUWKMLSA-N 0 3 278.264 0.722 20 5 CCBDHN CC[C@@H](C)N1CCN(c2nnc(C[N+](=O)[O-])n2CC)CC1 ZINC001339466022 921730122 /nfs/dbraw/zinc/73/01/22/921730122.db2.gz DCLZDHWGWPVCMV-LLVKDONJSA-N 0 3 296.375 0.995 20 5 CCBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001332525682 918252578 /nfs/dbraw/zinc/25/25/78/918252578.db2.gz AVEARIXFCDUENF-UWVGGRQHSA-N 0 3 279.300 0.627 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C ZINC001342629455 923029755 /nfs/dbraw/zinc/02/97/55/923029755.db2.gz LYQIOSSWNRWTMT-KXUCPTDWSA-N 0 3 295.343 0.697 20 5 CCBDHN CCn1c(C[N+](=O)[O-])nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001342650887 923037629 /nfs/dbraw/zinc/03/76/29/923037629.db2.gz HQJVPZDXECAHLU-GHMZBOCLSA-N 0 3 296.375 0.994 20 5 CCBDHN CCn1c(C[N+](=O)[O-])nnc1N1CCN(CC(C)C)CC1 ZINC001342651885 923042959 /nfs/dbraw/zinc/04/29/59/923042959.db2.gz QAPYRNAPUMSKOA-UHFFFAOYSA-N 0 3 296.375 0.853 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(C(=O)NOCCN(C)C)c1 ZINC001347776845 924534628 /nfs/dbraw/zinc/53/46/28/924534628.db2.gz ZGGJYMGCZBXOPQ-UHFFFAOYSA-N 0 3 283.284 0.826 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001354257187 926060473 /nfs/dbraw/zinc/06/04/73/926060473.db2.gz BKJNUKULVXUWRA-JTQLQIEISA-N 0 3 291.307 0.764 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](CCO)C1 ZINC000090526468 349438460 /nfs/dbraw/zinc/43/84/60/349438460.db2.gz GWFMJWSJLUHBNS-GFCCVEGCSA-N 0 3 295.339 0.851 20 5 CCBDHN C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C1=CCN(C)CC1 ZINC000273036404 192027378 /nfs/dbraw/zinc/02/73/78/192027378.db2.gz VNRGBRXXPVZHQM-JTQLQIEISA-N 0 3 293.327 0.558 20 5 CCBDHN CCN(CCNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000101957457 349672115 /nfs/dbraw/zinc/67/21/15/349672115.db2.gz NLYWLYGKKKUQPU-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN CN1CC[C@@](O)(CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000358145511 529800469 /nfs/dbraw/zinc/80/04/69/529800469.db2.gz WAAMHMKWPICLTD-CYBMUJFWSA-N 0 3 265.313 0.751 20 5 CCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119159469 349921722 /nfs/dbraw/zinc/92/17/22/349921722.db2.gz SHZSPWNOKGPLBU-BDAKNGLRSA-N 0 3 281.316 0.730 20 5 CCBDHN O=C(CN1CCNCC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602459132 362627273 /nfs/dbraw/zinc/62/72/73/362627273.db2.gz PDLGMLJFVSBHAC-UHFFFAOYSA-N 0 3 290.323 0.389 20 5 CCBDHN CC(C)[C@H](CCO)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602554810 362677437 /nfs/dbraw/zinc/67/74/37/362677437.db2.gz IOXCKVRXRCDXDH-JTQLQIEISA-N 0 3 256.306 0.825 20 5 CCBDHN CNC(=O)[C@@H](C)CN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602775880 362793875 /nfs/dbraw/zinc/79/38/75/362793875.db2.gz CMXSXRAJQUEOIC-VIFPVBQESA-N 0 3 283.332 0.414 20 5 CCBDHN Cn1cc(CN[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602819867 362818536 /nfs/dbraw/zinc/81/85/36/362818536.db2.gz IVXGOEFBWRYZON-VIFPVBQESA-N 0 3 256.306 0.825 20 5 CCBDHN C[C@H]1[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343529158 137140267 /nfs/dbraw/zinc/14/02/67/137140267.db2.gz VSYSILHHZPHGIM-CMPLNLGQSA-N 0 3 295.343 0.780 20 5 CCBDHN C[C@@H]1C[C@H](O)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343711223 137151536 /nfs/dbraw/zinc/15/15/36/137151536.db2.gz FJXXKCHQUVKFQM-GRYCIOLGSA-N 0 3 296.323 0.790 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000343717205 137152250 /nfs/dbraw/zinc/15/22/50/137152250.db2.gz SAUQDIFQIZMKIP-NQBHXWOUSA-N 0 3 296.323 0.647 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)CCO ZINC000602866003 362849814 /nfs/dbraw/zinc/84/98/14/362849814.db2.gz CRUOUVYTHVAECJ-VIFPVBQESA-N 0 3 256.306 0.802 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCCN1C ZINC000343428127 137134184 /nfs/dbraw/zinc/13/41/84/137134184.db2.gz GYWMJCRUXYSYMK-NXEZZACHSA-N 0 3 281.316 0.390 20 5 CCBDHN CCN1CCN(CCCNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000032068755 348129396 /nfs/dbraw/zinc/12/93/96/348129396.db2.gz WNXDNWVTMOKENI-UHFFFAOYSA-N 0 3 296.375 0.768 20 5 CCBDHN COC[C@@H](NCc1cn(C)nc1[N+](=O)[O-])C1CCOCC1 ZINC000602885853 362864720 /nfs/dbraw/zinc/86/47/20/362864720.db2.gz WUTDTVQGXVMDKQ-GFCCVEGCSA-N 0 3 298.343 0.860 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C[C@@H](C)O)C1CC1 ZINC000602873890 362854666 /nfs/dbraw/zinc/85/46/66/362854666.db2.gz SSGOIERYZKORAW-SECBINFHSA-N 0 3 268.317 0.945 20 5 CCBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000346693777 137300460 /nfs/dbraw/zinc/30/04/60/137300460.db2.gz PQHXPUGGOFVLAJ-GXSJLCMTSA-N 0 3 282.300 0.675 20 5 CCBDHN COC(=O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000347011508 137315899 /nfs/dbraw/zinc/31/58/99/137315899.db2.gz GLIHQPKMLJTQDH-VHSXEESVSA-N 0 3 282.300 0.675 20 5 CCBDHN CC1(F)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602993160 362926391 /nfs/dbraw/zinc/92/63/91/362926391.db2.gz RTVCPBPIRISZHJ-NSHDSACASA-N 0 3 286.307 0.976 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)cc1C ZINC000052093298 348504340 /nfs/dbraw/zinc/50/43/40/348504340.db2.gz QCNPBLOOCBFIHW-JTQLQIEISA-N 0 3 299.352 0.852 20 5 CCBDHN CN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000055083715 348569499 /nfs/dbraw/zinc/56/94/99/348569499.db2.gz ZDTAHZMDWBNYKP-UHFFFAOYSA-N 0 3 295.343 0.290 20 5 CCBDHN C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N(C)C1CC1 ZINC000057700440 348614261 /nfs/dbraw/zinc/61/42/61/348614261.db2.gz FQSVCRVASGLNIO-SNVBAGLBSA-N 0 3 295.343 0.780 20 5 CCBDHN O=C1CCN(CCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000065955040 348730234 /nfs/dbraw/zinc/73/02/34/348730234.db2.gz XQAIYDUZAJIUAD-UHFFFAOYSA-N 0 3 263.297 0.959 20 5 CCBDHN Cc1n[n-]c(C(=O)NCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000064355176 348699228 /nfs/dbraw/zinc/69/92/28/348699228.db2.gz UINCKVDCRWSXSU-UHFFFAOYSA-N 0 3 292.299 0.951 20 5 CCBDHN CCN1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000068434665 348810592 /nfs/dbraw/zinc/81/05/92/348810592.db2.gz PHUQWWGVCXFFSJ-NSHDSACASA-N 0 3 295.343 0.700 20 5 CCBDHN CCN1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000068434648 348810763 /nfs/dbraw/zinc/81/07/63/348810763.db2.gz NVVKXRUYQPPADE-NSHDSACASA-N 0 3 295.343 0.782 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000086467736 349339674 /nfs/dbraw/zinc/33/96/74/349339674.db2.gz WCIQKXYEUSKHRT-DTWKUNHWSA-N 0 3 266.301 0.756 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN(CCO)CCCO)cc1 ZINC000109797603 186272577 /nfs/dbraw/zinc/27/25/77/186272577.db2.gz NZOYXJYHBMBVMH-UHFFFAOYSA-N 0 3 268.313 0.814 20 5 CCBDHN CCN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174807574 351104554 /nfs/dbraw/zinc/10/45/54/351104554.db2.gz NTIAWIVIWVFOHG-UHFFFAOYSA-N 0 3 253.306 0.429 20 5 CCBDHN CN(C)CCc1cn(CCn2cc([N+](=O)[O-])cn2)nn1 ZINC000603226127 363009972 /nfs/dbraw/zinc/00/99/72/363009972.db2.gz SOTGMUPPBLVGSC-UHFFFAOYSA-N 0 3 279.304 0.187 20 5 CCBDHN CC(C)(C)[C@@H](NCCn1ccc([N+](=O)[O-])n1)C(N)=O ZINC000176235283 351164106 /nfs/dbraw/zinc/16/41/06/351164106.db2.gz VHWHJLVXKMRTRX-VIFPVBQESA-N 0 3 269.305 0.281 20 5 CCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N(C)C ZINC000603572567 363147679 /nfs/dbraw/zinc/14/76/79/363147679.db2.gz UCJBEIPJQYOSAY-MRVPVSSYSA-N 0 3 254.290 0.613 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CNC2)c1C ZINC000237779144 352282676 /nfs/dbraw/zinc/28/26/76/352282676.db2.gz PMTXJSOEAKNIPO-UHFFFAOYSA-N 0 3 285.325 0.462 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCO[C@@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000265408793 352636978 /nfs/dbraw/zinc/63/69/78/352636978.db2.gz ZNVWIRSJCURCSF-VIFPVBQESA-N 0 3 297.315 0.029 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCO[C@@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000265408793 352636981 /nfs/dbraw/zinc/63/69/81/352636981.db2.gz ZNVWIRSJCURCSF-VIFPVBQESA-N 0 3 297.315 0.029 20 5 CCBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266928074 352733487 /nfs/dbraw/zinc/73/34/87/352733487.db2.gz RPBKURAIJZOITG-SECBINFHSA-N 0 3 268.273 0.286 20 5 CCBDHN CNC(=O)[C@@H](C)CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269629391 352855710 /nfs/dbraw/zinc/85/57/10/352855710.db2.gz DUPIWZNGNQSYSG-GWCFXTLKSA-N 0 3 295.339 0.942 20 5 CCBDHN CN(C)[C@@]1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCSC1 ZINC000270703198 352970306 /nfs/dbraw/zinc/97/03/06/352970306.db2.gz AFHKKRCYPGMLBC-LLVKDONJSA-N 0 3 299.356 0.485 20 5 CCBDHN CN(CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270814411 352989867 /nfs/dbraw/zinc/98/98/67/352989867.db2.gz XGMKVTCIJJHXIA-UHFFFAOYSA-N 0 3 267.285 0.848 20 5 CCBDHN CN(C)CCN(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272370114 353057143 /nfs/dbraw/zinc/05/71/43/353057143.db2.gz UGWCFAMXVAOTHU-UHFFFAOYSA-N 0 3 295.295 0.957 20 5 CCBDHN CN1CC[C@@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000272679413 353085389 /nfs/dbraw/zinc/08/53/89/353085389.db2.gz VGADJGOEQMBXGU-GHMZBOCLSA-N 0 3 293.327 0.344 20 5 CCBDHN COCCNCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000152383960 188014527 /nfs/dbraw/zinc/01/45/27/188014527.db2.gz HBBBBOWEFHOEEY-UHFFFAOYSA-N 0 3 296.327 0.451 20 5 CCBDHN CCc1n[nH]c(C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000275044592 353181634 /nfs/dbraw/zinc/18/16/34/353181634.db2.gz RORZEWHJQDQSLZ-UHFFFAOYSA-N 0 3 255.278 0.172 20 5 CCBDHN COC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304276823 354110780 /nfs/dbraw/zinc/11/07/80/354110780.db2.gz CWIHHACBAKWBOT-NSHDSACASA-N 0 3 284.316 0.263 20 5 CCBDHN CN(CC1CCN(C)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000330564918 354414620 /nfs/dbraw/zinc/41/46/20/354414620.db2.gz FMTOOKAXRLGBEA-UHFFFAOYSA-N 0 3 295.343 0.592 20 5 CCBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC000423983645 235131219 /nfs/dbraw/zinc/13/12/19/235131219.db2.gz AOXOLFHXPDDCRX-SNVBAGLBSA-N 0 3 294.311 0.111 20 5 CCBDHN CC(C)[C@](C)(CO)NCc1c([N+](=O)[O-])ncn1C ZINC000352881385 356102773 /nfs/dbraw/zinc/10/27/73/356102773.db2.gz JFQUIEGSHMNNIV-NSHDSACASA-N 0 3 256.306 0.825 20 5 CCBDHN CO[C@H](CN)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000353052692 356147195 /nfs/dbraw/zinc/14/71/95/356147195.db2.gz QWSUWVWYIJYOCL-LLVKDONJSA-N 0 3 281.312 0.920 20 5 CCBDHN COCCN1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273558410 192203963 /nfs/dbraw/zinc/20/39/63/192203963.db2.gz BHHXQZGTMABGPO-UHFFFAOYSA-N 0 3 281.316 0.908 20 5 CCBDHN CC[NH2+][C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000359307681 356799316 /nfs/dbraw/zinc/79/93/16/356799316.db2.gz NXVQXQJZLKMEJJ-ZETCQYMHSA-N 0 3 293.370 0.933 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000408038265 357880833 /nfs/dbraw/zinc/88/08/33/357880833.db2.gz LVIAVQNZQIDULU-CMPLNLGQSA-N 0 3 295.343 0.233 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408226533 357980308 /nfs/dbraw/zinc/98/03/08/357980308.db2.gz OKZMTJLYBVUSRD-CBAPKCEASA-N 0 3 281.316 0.839 20 5 CCBDHN N[C@H]1C[C@H]2CN(c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000568415438 358674551 /nfs/dbraw/zinc/67/45/51/358674551.db2.gz UDFVYWOKDWUUQQ-UWVGGRQHSA-N 0 3 276.296 0.343 20 5 CCBDHN Cc1c(C(=O)N[C@H](CO)CN(C)C)cccc1[N+](=O)[O-] ZINC000588866147 359344911 /nfs/dbraw/zinc/34/49/11/359344911.db2.gz CUBMDECLLLMFHR-JTQLQIEISA-N 0 3 281.312 0.556 20 5 CCBDHN O=C(N[C@@H](CO)CN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000588870131 359346382 /nfs/dbraw/zinc/34/63/82/359346382.db2.gz UXJCXPMDUKXWLC-GFCCVEGCSA-N 0 3 293.323 0.781 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000590442896 359465712 /nfs/dbraw/zinc/46/57/12/359465712.db2.gz HRSSFCKSTZJDFA-APPZFPTMSA-N 0 3 265.273 0.094 20 5 CCBDHN Cn1c(C(=O)NC[C@@H]2C[C@H](F)CN2)ccc1[N+](=O)[O-] ZINC000591686226 359638613 /nfs/dbraw/zinc/63/86/13/359638613.db2.gz WINUEMPCGKZTJA-YUMQZZPRSA-N 0 3 270.264 0.363 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000611236705 363690357 /nfs/dbraw/zinc/69/03/57/363690357.db2.gz YHSOPSAUVQFYIB-WCBMZHEXSA-N 0 3 293.327 0.541 20 5 CCBDHN O=C1CC[C@@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)N1 ZINC000593027188 360017535 /nfs/dbraw/zinc/01/75/35/360017535.db2.gz OHEMQJWVRFITJZ-JTQLQIEISA-N 0 3 293.327 0.707 20 5 CCBDHN CN(CCN1CCCCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000593882799 360193325 /nfs/dbraw/zinc/19/33/25/360193325.db2.gz MAYNKOSZFQWVGL-UHFFFAOYSA-N 0 3 281.316 0.876 20 5 CCBDHN [NH3+]CCCc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594652439 360351737 /nfs/dbraw/zinc/35/17/37/360351737.db2.gz NAYDVFFAKAFXQV-UHFFFAOYSA-N 0 3 263.257 0.772 20 5 CCBDHN Cc1cc(S(=O)(=O)N(C)C2CNC2)c(C)cc1[N+](=O)[O-] ZINC000595111483 360438242 /nfs/dbraw/zinc/43/82/42/360438242.db2.gz LNAKETHJCARXIB-UHFFFAOYSA-N 0 3 299.352 0.804 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@]1(C)CO ZINC000595879836 360688624 /nfs/dbraw/zinc/68/86/24/360688624.db2.gz XPWOALLIWXMXEU-PWSUYJOCSA-N 0 3 268.317 0.742 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H]3COC[C@H]3C2)n1 ZINC000595831287 360672110 /nfs/dbraw/zinc/67/21/10/360672110.db2.gz NANWPQKROCKZHJ-WDEREUQCSA-N 0 3 266.301 0.760 20 5 CCBDHN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCN(C4CC4)C3)nn21 ZINC000596091967 360791829 /nfs/dbraw/zinc/79/18/29/360791829.db2.gz QTNMBOBWBDQBJG-VIFPVBQESA-N 0 3 288.311 0.708 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1F ZINC000596245394 360851717 /nfs/dbraw/zinc/85/17/17/360851717.db2.gz YWTLKBIEYXZYRB-ZETCQYMHSA-N 0 3 258.253 0.463 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000598650184 361472267 /nfs/dbraw/zinc/47/22/67/361472267.db2.gz NKDSOGJCWLGKOZ-GHMZBOCLSA-N 0 3 268.317 0.742 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(CC3CC3)C2)c1 ZINC000598705555 361491292 /nfs/dbraw/zinc/49/12/92/361491292.db2.gz KSYORVRPYLEVMR-CYBMUJFWSA-N 0 3 280.328 0.884 20 5 CCBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000598915785 361531801 /nfs/dbraw/zinc/53/18/01/361531801.db2.gz OSXQFHKVXLNHOW-UHFFFAOYSA-N 0 3 292.295 0.801 20 5 CCBDHN CC1CCN(C[C@@H](O)CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302179242 201386028 /nfs/dbraw/zinc/38/60/28/201386028.db2.gz YOLPSFUXJUOTHQ-LBPRGKRZSA-N 0 3 295.343 0.890 20 5 CCBDHN CC[C@]1(NCCn2cc([N+](=O)[O-])ccc2=O)CCOC1 ZINC000616866064 365464645 /nfs/dbraw/zinc/46/46/45/365464645.db2.gz KMBRXQZAMTWRFL-ZDUSSCGKSA-N 0 3 281.312 0.915 20 5 CCBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330930795 203399164 /nfs/dbraw/zinc/39/91/64/203399164.db2.gz QSVCZDAEIVCMHQ-NXEZZACHSA-N 0 3 296.331 0.031 20 5 CCBDHN COC(=O)c1cnc(NCCN(C)C)c([N+](=O)[O-])c1 ZINC000276535883 193371591 /nfs/dbraw/zinc/37/15/91/193371591.db2.gz IGQYGGIWDIJQBX-UHFFFAOYSA-N 0 3 268.273 0.750 20 5 CCBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000574465158 335022246 /nfs/dbraw/zinc/02/22/46/335022246.db2.gz DBAPEMKOJZMHLV-ZJUUUORDSA-N 0 3 291.311 0.046 20 5 CCBDHN COC(=O)CC[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000288591651 197121559 /nfs/dbraw/zinc/12/15/59/197121559.db2.gz JQAMKSXREHZPOT-SNVBAGLBSA-N 0 3 295.295 0.492 20 5 CCBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C ZINC000285831365 388802678 /nfs/dbraw/zinc/80/26/78/388802678.db2.gz VYPBPLUEUHJJHZ-DTWKUNHWSA-N 0 3 281.316 0.873 20 5 CCBDHN COc1ccc(CNC[C@H](O)CO)cc1[N+](=O)[O-] ZINC000083414033 389002801 /nfs/dbraw/zinc/00/28/01/389002801.db2.gz BKMQNGSPQHWAQN-VIFPVBQESA-N 0 3 256.258 0.046 20 5 CCBDHN CC(C)CN(CCN(C)C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000119613259 389139936 /nfs/dbraw/zinc/13/99/36/389139936.db2.gz KBBDQRHUWUMXFQ-UHFFFAOYSA-N 0 3 297.359 0.988 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@]3(CCOC3)C2)c1 ZINC000153638965 389305065 /nfs/dbraw/zinc/30/50/65/389305065.db2.gz ACYNZNIUMODEEL-LBPRGKRZSA-N 0 3 266.301 0.904 20 5 CCBDHN COCCOC[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174878905 389532074 /nfs/dbraw/zinc/53/20/74/389532074.db2.gz ZUXBKJVPRQQZJK-GFCCVEGCSA-N 0 3 298.343 0.776 20 5 CCBDHN CN1CCNC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000414965815 389649068 /nfs/dbraw/zinc/64/90/68/389649068.db2.gz NUBJGOWCLGHVNB-GFCCVEGCSA-N 0 3 264.329 0.588 20 5 CCBDHN C[C@H]1CCN(C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000354084654 389858752 /nfs/dbraw/zinc/85/87/52/389858752.db2.gz FJLBBLOQSBQZHG-VIFPVBQESA-N 0 3 253.306 0.859 20 5 CCBDHN CCOC(=O)c1ccnc(N(C)C2CNC2)c1[N+](=O)[O-] ZINC000420261474 389975072 /nfs/dbraw/zinc/97/50/72/389975072.db2.gz PIVGWNSFJBJEQC-UHFFFAOYSA-N 0 3 280.284 0.575 20 5 CCBDHN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000447870055 389967131 /nfs/dbraw/zinc/96/71/31/389967131.db2.gz BIVPPHNBZNTYNZ-SECBINFHSA-N 0 3 254.290 0.494 20 5 CCBDHN COC[C@@H](NCCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCO1 ZINC000434797678 389947275 /nfs/dbraw/zinc/94/72/75/389947275.db2.gz ZZVUTUUUGIFMIR-MNOVXSKESA-N 0 3 284.316 0.575 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000579573352 390185230 /nfs/dbraw/zinc/18/52/30/390185230.db2.gz KMKMEFQUVRLVNL-DTWKUNHWSA-N 0 3 276.300 0.824 20 5 CCBDHN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)CN1 ZINC000237487277 131036530 /nfs/dbraw/zinc/03/65/30/131036530.db2.gz HATXZNMHFGEJDF-RKDXNWHRSA-N 0 3 278.312 0.999 20 5 CCBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H](O)CN1 ZINC000261566628 131152537 /nfs/dbraw/zinc/15/25/37/131152537.db2.gz ZHFAWZSABDVNFX-VHSXEESVSA-N 0 3 251.242 0.256 20 5 CCBDHN C[C@H]1NCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000262798752 131262671 /nfs/dbraw/zinc/26/26/71/131262671.db2.gz OSAIYRJYRMKYGJ-RKDXNWHRSA-N 0 3 267.289 0.000 20 5 CCBDHN C[C@@H]1[C@H](C)N(C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000357030554 144052268 /nfs/dbraw/zinc/05/22/68/144052268.db2.gz FDACYMXLTGHBCZ-WDEREUQCSA-N 0 3 267.333 0.816 20 5 CCBDHN C[C@@H]1[C@H](C)N(C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000357028647 144052275 /nfs/dbraw/zinc/05/22/75/144052275.db2.gz BNLVPGQMYVTECN-WDEREUQCSA-N 0 3 267.333 0.816 20 5 CCBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CCN1C ZINC000357063804 144055795 /nfs/dbraw/zinc/05/57/95/144055795.db2.gz ZNYBJRYQZBTZMB-ZJUUUORDSA-N 0 3 295.343 0.883 20 5 CCBDHN Cc1cccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000552157629 286156602 /nfs/dbraw/zinc/15/66/02/286156602.db2.gz WGAACWINMMPKNO-RYUDHWBXSA-N 0 3 293.323 0.650 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C[NH3+])c1C ZINC000262490687 292291888 /nfs/dbraw/zinc/29/18/88/292291888.db2.gz XEMZLHMFIXAXGP-QMMMGPOBSA-N 0 3 287.341 0.837 20 5 CCBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285695983 196368670 /nfs/dbraw/zinc/36/86/70/196368670.db2.gz HFLJDHHTJWFVQQ-KOLCDFICSA-N 0 3 293.327 0.874 20 5 CCBDHN COCCNCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000212245002 265357151 /nfs/dbraw/zinc/35/71/51/265357151.db2.gz YGUFSFFJPSXYFN-AATRIKPKSA-N 0 3 293.323 0.960 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](O)[C@@H](N(C)C)C2)n1 ZINC000359953343 274686460 /nfs/dbraw/zinc/68/64/60/274686460.db2.gz WAGZXDVTOHVIRN-WDEREUQCSA-N 0 3 280.328 0.718 20 5 CCBDHN CC1CCN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000583433890 327361611 /nfs/dbraw/zinc/36/16/11/327361611.db2.gz GVVKVNQIMLAKRW-UHFFFAOYSA-N 0 3 281.316 0.780 20 5 CCBDHN C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCCC1 ZINC000554838050 334455283 /nfs/dbraw/zinc/45/52/83/334455283.db2.gz YYUIDMWDAZDPDQ-QMMMGPOBSA-N 0 3 267.289 0.532 20 5 CCBDHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577373285 335344082 /nfs/dbraw/zinc/34/40/82/335344082.db2.gz OFTJLEITNHWADH-RNFRBKRXSA-N 0 3 274.302 0.004 20 5 CCBDHN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000381706196 336071242 /nfs/dbraw/zinc/07/12/42/336071242.db2.gz HUKDQRCSNZFAOS-SFYZADRCSA-N 0 3 273.314 0.609 20 5 CCBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])o1 ZINC000452779151 534642017 /nfs/dbraw/zinc/64/20/17/534642017.db2.gz ARUQJPLUNPRUID-SNVBAGLBSA-N 0 3 297.311 0.764 20 5 CCBDHN CN(CCN(C)C1CC1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000184783286 522813975 /nfs/dbraw/zinc/81/39/75/522813975.db2.gz GVJACQGNOKZMRR-UHFFFAOYSA-N 0 3 293.327 0.619 20 5 CCBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000061379498 523615309 /nfs/dbraw/zinc/61/53/09/523615309.db2.gz XSGOBYHOXOHVBC-UHFFFAOYSA-N 0 3 254.290 0.980 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](CO)C2)c1 ZINC000157398277 527391054 /nfs/dbraw/zinc/39/10/54/527391054.db2.gz WWZSSYLAFWGFKK-WCQYABFASA-N 0 3 296.323 0.649 20 5 CCBDHN CCN1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000363574807 535519207 /nfs/dbraw/zinc/51/92/07/535519207.db2.gz KHOBDDBAPUCQRE-ZDUSSCGKSA-N 0 3 297.359 0.180 20 5 CCBDHN CN(C)C[C@@H](O)CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000754008961 581570091 /nfs/dbraw/zinc/57/00/91/581570091.db2.gz XKXXBJBUPMEVRE-VIFPVBQESA-N 0 3 291.311 0.872 20 5 CCBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000747229946 581935778 /nfs/dbraw/zinc/93/57/78/581935778.db2.gz NKWJSWRYMRRTAO-VHSXEESVSA-N 0 3 294.311 0.516 20 5 CCBDHN CC(C)C[C@]1(C(=O)OCC(C)[N+](=O)[O-])CCNC1=O ZINC000870376245 614230241 /nfs/dbraw/zinc/23/02/41/614230241.db2.gz DVAPLZJQZUFFAX-BXKDBHETSA-N 0 3 272.301 0.747 20 5 CCBDHN CCC(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813107244 614553076 /nfs/dbraw/zinc/55/30/76/614553076.db2.gz NNABJAMJQIZXSW-VHSXEESVSA-N 0 3 272.301 0.843 20 5 CCBDHN CN(C)C[C@H](CO)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000853625089 615939503 /nfs/dbraw/zinc/93/95/03/615939503.db2.gz PHERGZJHCGFSJW-SECBINFHSA-N 0 3 279.300 0.577 20 5 CCBDHN CN(CCO)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000899733849 616104035 /nfs/dbraw/zinc/10/40/35/616104035.db2.gz KZAWCZNGGQJNTI-UHFFFAOYSA-N 0 3 281.312 0.178 20 5 CCBDHN CO[C@@H](CN)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000884331829 617163451 /nfs/dbraw/zinc/16/34/51/617163451.db2.gz YCYXWBVDDYCFDX-LBPRGKRZSA-N 0 3 279.296 0.766 20 5 CCBDHN O=[N+]([O-])c1cnn(CN2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000902645803 634428472 /nfs/dbraw/zinc/42/84/72/634428472.db2.gz YTTQZNHMTSUNBV-CHWSQXEVSA-N 0 3 295.343 0.280 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000928433405 631833830 /nfs/dbraw/zinc/83/38/30/631833830.db2.gz TVBWDPOSPFTHQL-JIMOISOXSA-N 0 3 293.323 0.837 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000928448613 631854637 /nfs/dbraw/zinc/85/46/37/631854637.db2.gz OPWQMYIWYRRVNJ-ONGXEEELSA-N 0 3 295.343 0.735 20 5 CCBDHN C[C@@H]1CCNC(=O)[C@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799345934 640563741 /nfs/dbraw/zinc/56/37/41/640563741.db2.gz BUGJVPDBHPPOLW-ICCXJUOJSA-N 0 3 293.323 0.742 20 5 CCBDHN Cc1cn2ccnc(C(=O)OCC(C)[N+](=O)[O-])c2n1 ZINC000813105517 641022477 /nfs/dbraw/zinc/02/24/77/641022477.db2.gz NUIVXCIWBMFBMA-MRVPVSSYSA-N 0 3 264.241 0.860 20 5 CCBDHN CC(COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N+](=O)[O-] ZINC000813108841 641023490 /nfs/dbraw/zinc/02/34/90/641023490.db2.gz MBDFICUOFJOSJT-LPEHRKFASA-N 0 3 298.295 0.370 20 5 CCBDHN Cc1nnc(COCC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813106813 641023641 /nfs/dbraw/zinc/02/36/41/641023641.db2.gz IFZDZWBGBVPINW-LURJTMIESA-N 0 3 275.286 0.572 20 5 CCBDHN CC(COC(=O)[C@H](C)NC(=O)c1ccoc1)[N+](=O)[O-] ZINC000813113972 641024390 /nfs/dbraw/zinc/02/43/90/641024390.db2.gz XHNLLMVYNDAIQY-SFYZADRCSA-N 0 3 270.241 0.606 20 5 CCBDHN CC(COC(=O)c1ccc2c(c1)OCC(=O)N2)[N+](=O)[O-] ZINC000813112948 641024790 /nfs/dbraw/zinc/02/47/90/641024790.db2.gz MMYANUCYNFUJCC-SSDOTTSWSA-N 0 3 280.236 0.840 20 5 CCBDHN C[S@](=O)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032210 641375016 /nfs/dbraw/zinc/37/50/16/641375016.db2.gz DDTNXTGFUWJHKB-VOJFVSQTSA-N 0 3 272.326 0.596 20 5 CCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000834600930 642613795 /nfs/dbraw/zinc/61/37/95/642613795.db2.gz WVBRNGGQLUIANL-LMLFDSFASA-N 0 3 271.292 0.296 20 5 CCBDHN CC(COC(=O)[C@@]1(c2ccccc2)CNC(=O)C1)[N+](=O)[O-] ZINC000847714838 643549819 /nfs/dbraw/zinc/54/98/19/643549819.db2.gz ZFYQOUVBKPDDPW-IINYFYTJSA-N 0 3 292.291 0.653 20 5 CCBDHN Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001020139113 651043658 /nfs/dbraw/zinc/04/36/58/651043658.db2.gz RFJLPPGEXZTARK-CNVPUSNMSA-N 0 3 294.311 0.385 20 5 CCBDHN CC1(C)C[C@@H](O)CN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000879622428 647087774 /nfs/dbraw/zinc/08/77/74/647087774.db2.gz JMAWOVTVWPDRSN-GFCCVEGCSA-N 0 3 295.339 0.849 20 5 CCBDHN O=[N+]([O-])CCN[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000930903563 648922688 /nfs/dbraw/zinc/92/26/88/648922688.db2.gz NJHUSYTWGOYUGI-QWRGUYRKSA-N 0 3 258.318 0.563 20 5 CCBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncn1C ZINC001267241194 793229983 /nfs/dbraw/zinc/22/99/83/793229983.db2.gz NLXBADSFYYKQCK-VXGBXAGGSA-N 0 3 295.343 0.023 20 5 CCBDHN NCc1ccnn1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001155125483 800915054 /nfs/dbraw/zinc/91/50/54/800915054.db2.gz PJWWFHSGHLKBPX-UHFFFAOYSA-N 0 3 269.648 0.526 20 5 CCBDHN CN1CCN(C(=N)Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001157914362 801518537 /nfs/dbraw/zinc/51/85/37/801518537.db2.gz DFZWFAUOYSJBOG-UHFFFAOYSA-N 0 3 282.279 0.723 20 5 CCBDHN CN1CCN(C(=N)Nc2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001157915603 801520220 /nfs/dbraw/zinc/52/02/20/801520220.db2.gz SZPNDOHJGMSWHF-UHFFFAOYSA-N 0 3 279.304 0.166 20 5 CCBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1N)[C@H]1CNCCO1 ZINC001159500795 801825677 /nfs/dbraw/zinc/82/56/77/801825677.db2.gz TYWSTMDKDFOAIN-GMSGAONNSA-N 0 3 267.289 0.361 20 5 CCBDHN O=[N+]([O-])c1cc2c(cc1N[C@H]1CCS(=O)(=O)C1)CNC2 ZINC001162499754 802354516 /nfs/dbraw/zinc/35/45/16/802354516.db2.gz NFQLELLHNUKLER-JTQLQIEISA-N 0 3 297.336 0.797 20 5 CCBDHN NCc1ccnn1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001162585889 802370422 /nfs/dbraw/zinc/37/04/22/802370422.db2.gz NJTABJJZRHVAJQ-UHFFFAOYSA-N 0 3 269.648 0.526 20 5 CCBDHN COc1nc(C)nc(-n2nccc2CN)c1[N+](=O)[O-] ZINC001162591631 802373379 /nfs/dbraw/zinc/37/33/79/802373379.db2.gz YZULGNBATFYFBX-UHFFFAOYSA-N 0 3 264.245 0.346 20 5 CCBDHN CCN(CC)CCNC(=N)Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001163122612 802487107 /nfs/dbraw/zinc/48/71/07/802487107.db2.gz NQXGTEPEILAEFJ-UHFFFAOYSA-N 0 3 296.331 0.506 20 5 CCBDHN CCN1CCCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001163771276 802609339 /nfs/dbraw/zinc/60/93/39/802609339.db2.gz KORGMXKPICLJCZ-UHFFFAOYSA-N 0 3 266.301 0.760 20 5 CCBDHN O=c1[nH]ccc(N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001164234527 802693271 /nfs/dbraw/zinc/69/32/71/802693271.db2.gz RHHRBUWKYTZNOX-MRVPVSSYSA-N 0 3 280.284 0.263 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H]1CCS(=O)(=O)C1)C2 ZINC001254566967 808260178 /nfs/dbraw/zinc/26/01/78/808260178.db2.gz LVCNGUZVWZGMOL-NWDGAFQWSA-N 0 3 296.348 0.839 20 5 CCBDHN O=C1C[C@H](N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CO1 ZINC001254573559 808260985 /nfs/dbraw/zinc/26/09/85/808260985.db2.gz BWFLLYZEUKWXKK-MNOVXSKESA-N 0 3 262.265 0.967 20 5 CCBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CC1 ZINC001254569852 808261080 /nfs/dbraw/zinc/26/10/80/808261080.db2.gz ZLOBWNFGPKQFKK-LBPRGKRZSA-N 0 3 275.308 0.930 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C1CCS(=O)CC1 ZINC001167686725 811339181 /nfs/dbraw/zinc/33/91/81/811339181.db2.gz XAKXXTRKKYRLKI-UHFFFAOYSA-N 0 3 286.357 0.634 20 5 CCBDHN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C1CNC1 ZINC000722233028 812003336 /nfs/dbraw/zinc/00/33/36/812003336.db2.gz WLHJEYXPBDHMJW-UHFFFAOYSA-N 0 3 285.325 0.328 20 5 CCBDHN CN(C1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)[C@@H]1CCOC1 ZINC001169033879 836108256 /nfs/dbraw/zinc/10/82/56/836108256.db2.gz DMJCHIIJXNMBNR-RWMBFGLXSA-N 0 3 283.372 0.837 20 5 CCBDHN Cc1c[n+]([O-])c(-n2ccc([C@@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169228648 836163215 /nfs/dbraw/zinc/16/32/15/836163215.db2.gz QJWQOLYNJMNYIA-MRVPVSSYSA-N 0 3 263.257 0.742 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc([C@@H](C)N)n2)n1 ZINC001169228168 836163267 /nfs/dbraw/zinc/16/32/67/836163267.db2.gz NJHTZIJRKBWOJZ-SSDOTTSWSA-N 0 3 291.267 0.982 20 5 CCBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1cc([N+](=O)[O-])c(C)cn1 ZINC001170343668 837324417 /nfs/dbraw/zinc/32/44/17/837324417.db2.gz XXEBYCAVSFHVFE-UHFFFAOYSA-N 0 3 277.284 0.999 20 5 CCBDHN COc1nc(N[C@H](C)[C@H]2CNCCO2)nc(C)c1[N+](=O)[O-] ZINC001170562318 838108126 /nfs/dbraw/zinc/10/81/26/838108126.db2.gz IFKXEMCMAXBTJL-VXNVDRBHSA-N 0 3 297.315 0.491 20 5 CCBDHN COc1ncc([N+](=O)[O-])cc1N[C@H](C)[C@@H]1CNCCO1 ZINC001170565715 838120897 /nfs/dbraw/zinc/12/08/97/838120897.db2.gz DCWOOWNVZPEYOK-KCJUWKMLSA-N 0 3 282.300 0.787 20 5 CCBDHN C[C@@H](Nc1cc([N+](=O)[O-])c2nncn2c1)[C@H]1CNCCO1 ZINC001170574941 838160985 /nfs/dbraw/zinc/16/09/85/838160985.db2.gz VFSLOYOYKYVJHM-LDYMZIIASA-N 0 3 292.299 0.426 20 5 CCBDHN CC(C)Oc1nc(-n2nncc2CN)ccc1[N+](=O)[O-] ZINC001158427708 838165338 /nfs/dbraw/zinc/16/53/38/838165338.db2.gz FKXKFCCRKXKXAI-UHFFFAOYSA-N 0 3 278.272 0.816 20 5 CCBDHN CC[C@](N)(CO)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170864305 839458373 /nfs/dbraw/zinc/45/83/73/839458373.db2.gz SSYUDLAZKXBMTM-GFCCVEGCSA-N 0 3 266.301 0.667 20 5 CCBDHN C[C@H]1CCCN1CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001183226817 843981161 /nfs/dbraw/zinc/98/11/61/843981161.db2.gz IVXNSFLXCAFFLS-VIFPVBQESA-N 0 3 293.327 0.786 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1N1CC(N[C@@H]2CCOC2)C1 ZINC001187740086 844759177 /nfs/dbraw/zinc/75/91/77/844759177.db2.gz XDTJMUAWXFKQQJ-SNVBAGLBSA-N 0 3 278.312 0.865 20 5 CCBDHN C[C@@H](NCCC(=O)NC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC001197647589 846942474 /nfs/dbraw/zinc/94/24/74/846942474.db2.gz SSHASQPMSQPLTF-MRVPVSSYSA-N 0 3 280.284 0.830 20 5 CCBDHN O=[N+]([O-])c1cccnc1N1CC(N[C@H]2CCOC2)C1 ZINC001307218067 908296755 /nfs/dbraw/zinc/29/67/55/908296755.db2.gz WPJIORHTDFAVLI-VIFPVBQESA-N 0 3 264.285 0.557 20 5 CCBDHN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CCCN3CCO)nc1 ZINC001334331442 919504790 /nfs/dbraw/zinc/50/47/90/919504790.db2.gz DJKKSMUKYVGQRO-RYUDHWBXSA-N 0 3 293.327 0.420 20 5 CCBDHN CO[C@@H]1COC[C@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335318722 920118359 /nfs/dbraw/zinc/11/83/59/920118359.db2.gz WHHXARAZBCHLIB-FRRDWIJNSA-N 0 3 282.296 0.632 20 5 CCBDHN O=[N+]([O-])CCN[C@@H]1CCc2ncc(Br)n2C1 ZINC001336001697 920553939 /nfs/dbraw/zinc/55/39/39/920553939.db2.gz HJJHPFYKYYCMRS-SSDOTTSWSA-N 0 3 289.133 0.827 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCCCN1C ZINC001340854599 922244505 /nfs/dbraw/zinc/24/45/05/922244505.db2.gz AZJHPAHUXZUWFZ-NSHDSACASA-N 0 3 295.343 0.700 20 5 CCBDHN C[C@H](C[N+](=O)[O-])OC(=O)C1CCCN(C2CC2)C1=O ZINC001346158362 924089819 /nfs/dbraw/zinc/08/98/19/924089819.db2.gz JGAJPBSOPWCEFL-PSASIEDQSA-N 0 3 270.285 0.596 20 5 CCBDHN Cc1nc(N2CC[C@H]3CN(C)C[C@H]32)ncc1[N+](=O)[O-] ZINC001352021206 925510599 /nfs/dbraw/zinc/51/05/99/925510599.db2.gz AGIKMTFMMBAGNG-GXSJLCMTSA-N 0 3 263.301 0.834 20 5 CCBDHN C[C@@H](O)C[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090589185 349438956 /nfs/dbraw/zinc/43/89/56/349438956.db2.gz VRQUFQKXAGQJFL-VXGBXAGGSA-N 0 3 295.339 0.992 20 5 CCBDHN C[C@H](O)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090529746 349439192 /nfs/dbraw/zinc/43/91/92/349439192.db2.gz LTTIPEMCLISZLA-WCQYABFASA-N 0 3 295.339 0.992 20 5 CCBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125643234 187194406 /nfs/dbraw/zinc/19/44/06/187194406.db2.gz KRZIOBSANZIXGC-SNVBAGLBSA-N 0 3 295.343 0.885 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)[NH3+] ZINC000111302277 349770039 /nfs/dbraw/zinc/77/00/39/349770039.db2.gz LHTAQWCRHFIOHU-MRVPVSSYSA-N 0 3 273.314 0.529 20 5 CCBDHN Cn1cc(CN[C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])n1 ZINC000602624941 362718595 /nfs/dbraw/zinc/71/85/95/362718595.db2.gz PZIZROFBSXZFGD-KOLCDFICSA-N 0 3 268.317 0.969 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@]1(CO)CCOC1 ZINC000602804849 362808874 /nfs/dbraw/zinc/80/88/74/362808874.db2.gz HEHFIUHEQUAAEI-LBPRGKRZSA-N 0 3 284.316 0.183 20 5 CCBDHN Cn1cc(CN[C@H](CO)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602804943 362810533 /nfs/dbraw/zinc/81/05/33/362810533.db2.gz IVXGOEFBWRYZON-SECBINFHSA-N 0 3 256.306 0.825 20 5 CCBDHN CNC(=O)[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602844597 362832781 /nfs/dbraw/zinc/83/27/81/362832781.db2.gz DLXPJUSEFFHRQV-JTQLQIEISA-N 0 3 281.316 0.168 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNCC1 ZINC000261837647 137022072 /nfs/dbraw/zinc/02/20/72/137022072.db2.gz OUXDPNOPYCKEAE-UHFFFAOYSA-N 0 3 278.312 0.747 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(O)CCOC2)c(F)c1 ZINC000312007175 137076625 /nfs/dbraw/zinc/07/66/25/137076625.db2.gz RFRILVZNDGIZHC-LBPRGKRZSA-N 0 3 270.260 0.975 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000343717207 137152056 /nfs/dbraw/zinc/15/20/56/137152056.db2.gz SAUQDIFQIZMKIP-WZRBSPASSA-N 0 3 296.323 0.647 20 5 CCBDHN CN1CCN(CCCn2cnc([N+](=O)[O-])c2)CC1 ZINC000343834089 137160700 /nfs/dbraw/zinc/16/07/00/137160700.db2.gz PMTVAWAORBXSLB-UHFFFAOYSA-N 0 3 253.306 0.429 20 5 CCBDHN COC(=O)[C@](C)(O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000343939975 137168496 /nfs/dbraw/zinc/16/84/96/137168496.db2.gz MVIGLGOUKPKGQD-CQSZACIVSA-N 0 3 296.323 0.993 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN1C ZINC000343310931 137127469 /nfs/dbraw/zinc/12/74/69/137127469.db2.gz XMQLYZUOUISTHG-HTQZYQBOSA-N 0 3 267.289 0.530 20 5 CCBDHN C[C@@](CO)(NCCCO)c1cccc([N+](=O)[O-])c1 ZINC000602965319 362912226 /nfs/dbraw/zinc/91/22/26/362912226.db2.gz BZNASCUYYWZJBX-LBPRGKRZSA-N 0 3 254.286 0.774 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C ZINC000046273100 348354601 /nfs/dbraw/zinc/35/46/01/348354601.db2.gz WXSSVESQGJMLRY-MRVPVSSYSA-N 0 3 266.301 0.978 20 5 CCBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cnn(C)c1 ZINC000273382562 192133785 /nfs/dbraw/zinc/13/37/85/192133785.db2.gz NCDQHXYNZDGZQG-SECBINFHSA-N 0 3 264.289 0.876 20 5 CCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347517866 137341015 /nfs/dbraw/zinc/34/10/15/137341015.db2.gz JIAOJEGFEOPCJX-UWVGGRQHSA-N 0 3 295.343 0.741 20 5 CCBDHN CCN(CCO)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347801827 137358223 /nfs/dbraw/zinc/35/82/23/137358223.db2.gz BBQSXIONUCHQNS-UHFFFAOYSA-N 0 3 299.302 0.778 20 5 CCBDHN CN[C@@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000054076361 348541076 /nfs/dbraw/zinc/54/10/76/348541076.db2.gz BTACPEDXIVIPOP-NSHDSACASA-N 0 3 292.339 0.851 20 5 CCBDHN Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000062053019 348662737 /nfs/dbraw/zinc/66/27/37/348662737.db2.gz RFEGXUZLMOZXIL-ZDUSSCGKSA-N 0 3 291.311 0.645 20 5 CCBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000066652954 348753305 /nfs/dbraw/zinc/75/33/05/348753305.db2.gz BYKMGCDJHOLISK-QMMMGPOBSA-N 0 3 253.258 0.869 20 5 CCBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO1 ZINC000075641458 349043537 /nfs/dbraw/zinc/04/35/37/349043537.db2.gz ZQZLTDFABYAJBT-NWDGAFQWSA-N 0 3 284.316 0.263 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H](O)C1CC1 ZINC000079769190 349189115 /nfs/dbraw/zinc/18/91/15/349189115.db2.gz KKCANTTWAVADMC-NSHDSACASA-N 0 3 254.290 0.494 20 5 CCBDHN CC[C@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000083494618 349306589 /nfs/dbraw/zinc/30/65/89/349306589.db2.gz XNKCBNLJFFRGOY-VIFPVBQESA-N 0 3 267.285 0.957 20 5 CCBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000124312263 350095743 /nfs/dbraw/zinc/09/57/43/350095743.db2.gz NKYWSTAVHOFHHA-GFCCVEGCSA-N 0 3 278.312 0.310 20 5 CCBDHN Cc1cc(C(=O)NCCN(C)C)c(N)c([N+](=O)[O-])c1 ZINC000130547627 350240430 /nfs/dbraw/zinc/24/04/30/350240430.db2.gz CKEPZFNHCYVGCO-UHFFFAOYSA-N 0 3 266.301 0.777 20 5 CCBDHN CN(C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000133952040 350349615 /nfs/dbraw/zinc/34/96/15/350349615.db2.gz VPLNQSGZXJOEIS-UHFFFAOYSA-N 0 3 280.328 0.998 20 5 CCBDHN Cc1cnc(NC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000134267977 350359105 /nfs/dbraw/zinc/35/91/05/350359105.db2.gz AVNPKWMTBOJKNI-SECBINFHSA-N 0 3 252.274 0.699 20 5 CCBDHN CC1(CO)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000186959296 351523484 /nfs/dbraw/zinc/52/34/84/351523484.db2.gz JEDARNKVHAWVMT-UHFFFAOYSA-N 0 3 268.317 0.886 20 5 CCBDHN CCCCN(C)CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000122166256 187018634 /nfs/dbraw/zinc/01/86/34/187018634.db2.gz CEUAQSVACIXCPW-UHFFFAOYSA-N 0 3 283.332 0.790 20 5 CCBDHN CO[C@@H](CN)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000227373321 352048172 /nfs/dbraw/zinc/04/81/72/352048172.db2.gz VMCDZOGGBABRGJ-NSHDSACASA-N 0 3 267.285 0.227 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000235101957 352180249 /nfs/dbraw/zinc/18/02/49/352180249.db2.gz PYQDATGKBAMZLN-ZETCQYMHSA-N 0 3 267.289 0.252 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CSCCN1 ZINC000603417833 363121844 /nfs/dbraw/zinc/12/18/44/363121844.db2.gz CBFZYAKHXUEYJQ-ZETCQYMHSA-N 0 3 257.319 0.445 20 5 CCBDHN C[C@H](O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000245407705 352319878 /nfs/dbraw/zinc/31/98/78/352319878.db2.gz CLJALXWTENJOEW-NEPJUHHUSA-N 0 3 297.359 0.178 20 5 CCBDHN C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247470018 352415840 /nfs/dbraw/zinc/41/58/40/352415840.db2.gz JDQWRTKNMWQDCQ-GXSJLCMTSA-N 0 3 286.357 0.590 20 5 CCBDHN C[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249598591 352497191 /nfs/dbraw/zinc/49/71/91/352497191.db2.gz QDBBWTFLZIZVQL-NXEZZACHSA-N 0 3 266.301 0.857 20 5 CCBDHN CCN(C)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000264942325 352609262 /nfs/dbraw/zinc/60/92/62/352609262.db2.gz WGEKXFKOSYPELE-UHFFFAOYSA-N 0 3 255.278 0.308 20 5 CCBDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000269615449 352853668 /nfs/dbraw/zinc/85/36/68/352853668.db2.gz SBIGZUXOVHTPBH-JTQLQIEISA-N 0 3 296.327 0.500 20 5 CCBDHN CCN1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000286683530 353603515 /nfs/dbraw/zinc/60/35/15/353603515.db2.gz VRQKRYJLJZOQQU-LLVKDONJSA-N 0 3 267.333 0.817 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCN2[C@@H](CO)CC[C@@H]2CO)cc1 ZINC000287494792 353649622 /nfs/dbraw/zinc/64/96/22/353649622.db2.gz SZLQQSBFIPZWOA-CHWSQXEVSA-N 0 3 296.323 0.791 20 5 CCBDHN COc1ccc(CNC(=O)[C@@H](CN)OC)cc1[N+](=O)[O-] ZINC000289962214 353697504 /nfs/dbraw/zinc/69/75/04/353697504.db2.gz MWTLIUIIPDSRFB-LLVKDONJSA-N 0 3 283.284 0.193 20 5 CCBDHN CN1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290596313 353737394 /nfs/dbraw/zinc/73/73/94/353737394.db2.gz YFYQZABXXJETLQ-UHFFFAOYSA-N 0 3 279.300 0.595 20 5 CCBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000290753073 353747526 /nfs/dbraw/zinc/74/75/26/353747526.db2.gz JAAYTGHKFIMHRY-LLVKDONJSA-N 0 3 267.285 0.212 20 5 CCBDHN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000320823887 354227676 /nfs/dbraw/zinc/22/76/76/354227676.db2.gz JMAFQQXSXNJQFS-DTWKUNHWSA-N 0 3 287.341 0.999 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2CN(C)C)n1 ZINC000332711242 354727069 /nfs/dbraw/zinc/72/70/69/354727069.db2.gz PAXJJSWLTBJWPB-SNVBAGLBSA-N 0 3 295.343 0.977 20 5 CCBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(C2CC2)C1 ZINC000354242244 356373610 /nfs/dbraw/zinc/37/36/10/356373610.db2.gz YUQOZTIKIUVQRM-MRVPVSSYSA-N 0 3 291.311 0.737 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000356143618 356710915 /nfs/dbraw/zinc/71/09/15/356710915.db2.gz BVISYBFSLJEDCR-UHFFFAOYSA-N 0 3 293.327 0.685 20 5 CCBDHN CN(C)[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000359968884 356929474 /nfs/dbraw/zinc/92/94/74/356929474.db2.gz SASOUDKUAOCHMJ-VHSXEESVSA-N 0 3 286.719 0.754 20 5 CCBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000449670482 236045276 /nfs/dbraw/zinc/04/52/76/236045276.db2.gz ZXKUNDDJZBNRMR-SSDOTTSWSA-N 0 3 274.227 0.650 20 5 CCBDHN Cc1nc(NCCOCCN(C)C)ncc1[N+](=O)[O-] ZINC000450425569 236087365 /nfs/dbraw/zinc/08/73/65/236087365.db2.gz NNIWVMTXXQPGKJ-UHFFFAOYSA-N 0 3 269.305 0.105 20 5 CCBDHN CN(C)CCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531013172 358435391 /nfs/dbraw/zinc/43/53/91/358435391.db2.gz NLIJYXANFRHBHT-UHFFFAOYSA-N 0 3 295.295 0.957 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000568647989 358694479 /nfs/dbraw/zinc/69/44/79/358694479.db2.gz ZRWLMPVCXLSHBQ-GHMZBOCLSA-N 0 3 290.323 0.651 20 5 CCBDHN CN1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 ZINC000573327630 358957718 /nfs/dbraw/zinc/95/77/18/358957718.db2.gz PWAZSEAFBDVOMX-SCZZXKLOSA-N 0 3 264.285 0.699 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000589101438 359359030 /nfs/dbraw/zinc/35/90/30/359359030.db2.gz DLCLJEKFMQGCRQ-ZETCQYMHSA-N 0 3 274.708 0.978 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@@H]2C1 ZINC000589941316 359411197 /nfs/dbraw/zinc/41/11/97/359411197.db2.gz CUBPUBWNHGYFLX-GZMMTYOYSA-N 0 3 264.285 0.699 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H]2C1 ZINC000590046990 359418696 /nfs/dbraw/zinc/41/86/96/359418696.db2.gz RNJXYXZREOGFTE-WCBMZHEXSA-N 0 3 264.285 0.699 20 5 CCBDHN O=C(N[C@H]1CCN(C2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000611202118 363680016 /nfs/dbraw/zinc/68/00/16/363680016.db2.gz AQROCZHYZGXZRJ-ZETCQYMHSA-N 0 3 265.273 0.284 20 5 CCBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1 ZINC000592543814 359880360 /nfs/dbraw/zinc/88/03/60/359880360.db2.gz NEZACLYDVDBFIL-LLVKDONJSA-N 0 3 266.301 0.993 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CN)C(F)(F)F)n1 ZINC000594450772 360314942 /nfs/dbraw/zinc/31/49/42/360314942.db2.gz ACXRJMGQTFPTBQ-LURJTMIESA-N 0 3 295.221 0.431 20 5 CCBDHN O=c1c([N+](=O)[O-])cc(Cl)cn1C[C@@H]1CNCCO1 ZINC000594697966 360362126 /nfs/dbraw/zinc/36/21/26/360362126.db2.gz CTMZBHUWZLCJBB-QMMMGPOBSA-N 0 3 273.676 0.398 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC2(CNC2)C1 ZINC000596099805 360794019 /nfs/dbraw/zinc/79/40/19/360794019.db2.gz YBHLUPLMPYWIII-UHFFFAOYSA-N 0 3 291.307 0.718 20 5 CCBDHN COC1CCN(CCNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596158240 360815244 /nfs/dbraw/zinc/81/52/44/360815244.db2.gz ACJPTBSQHQSWTA-UHFFFAOYSA-N 0 3 295.343 0.517 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)n1 ZINC000597925537 361284213 /nfs/dbraw/zinc/28/42/13/361284213.db2.gz WSADETMPOPANHB-SECBINFHSA-N 0 3 295.343 0.931 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CCc2nccc(N)c2C1 ZINC000598942563 361534792 /nfs/dbraw/zinc/53/47/92/361534792.db2.gz MHUKJQHYTZTIGK-UHFFFAOYSA-N 0 3 274.284 0.868 20 5 CCBDHN COCCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000302149517 201367745 /nfs/dbraw/zinc/36/77/45/201367745.db2.gz JOXXKSRMTCTJIZ-JTQLQIEISA-N 0 3 281.316 0.908 20 5 CCBDHN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1O ZINC000275482979 193055237 /nfs/dbraw/zinc/05/52/37/193055237.db2.gz OKNPEXSEZXUUSA-SNVBAGLBSA-N 0 3 268.317 0.884 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000330682382 203113682 /nfs/dbraw/zinc/11/36/82/203113682.db2.gz QAOUUQTWFMKIFA-ZETCQYMHSA-N 0 3 255.278 0.008 20 5 CCBDHN CN(C)C1(CNC(=O)c2c([N+](=O)[O-])cnn2C)CCC1 ZINC000331938264 204313487 /nfs/dbraw/zinc/31/34/87/204313487.db2.gz HEFDGQBLEJDUQP-UHFFFAOYSA-N 0 3 281.316 0.542 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC2(C)C)n1 ZINC000457051258 249039725 /nfs/dbraw/zinc/03/97/25/249039725.db2.gz HNIFAAFZCHZRTF-UHFFFAOYSA-N 0 3 295.343 0.933 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCN2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000459681866 249052682 /nfs/dbraw/zinc/05/26/82/249052682.db2.gz DQSMDNMPOGGLSO-MFKMUULPSA-N 0 3 282.296 0.259 20 5 CCBDHN CC(=O)NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515012250 249116655 /nfs/dbraw/zinc/11/66/55/249116655.db2.gz BWVLBEGHXLVUOF-LLVKDONJSA-N 0 3 297.311 0.060 20 5 CCBDHN CC[C@@H]1CN(C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000514857857 249107936 /nfs/dbraw/zinc/10/79/36/249107936.db2.gz WLBURCRPNTWORS-LLVKDONJSA-N 0 3 267.333 0.817 20 5 CCBDHN COC[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000452042418 533129800 /nfs/dbraw/zinc/12/98/00/533129800.db2.gz UAXFCBOKQCNZES-DGCLKSJQSA-N 0 3 298.343 0.653 20 5 CCBDHN CC(C)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285983416 388821450 /nfs/dbraw/zinc/82/14/50/388821450.db2.gz FYNGOSIPCFNIPH-VIFPVBQESA-N 0 3 281.316 0.921 20 5 CCBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000193239339 389064537 /nfs/dbraw/zinc/06/45/37/389064537.db2.gz QQBPMZUNJJNEBX-SNVBAGLBSA-N 0 3 299.352 0.852 20 5 CCBDHN CN(C)[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000264392460 389325892 /nfs/dbraw/zinc/32/58/92/389325892.db2.gz CMSVNALLTPJUEV-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN CN(C[C@@H]1CCCN1C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000421707655 389370760 /nfs/dbraw/zinc/37/07/60/389370760.db2.gz YAGIDQOBIJECCG-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@]1(F)CCNC1 ZINC000370779906 389412246 /nfs/dbraw/zinc/41/22/46/389412246.db2.gz LTZBNJQRTNPJON-CYBMUJFWSA-N 0 3 281.287 0.955 20 5 CCBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000174685214 389526553 /nfs/dbraw/zinc/52/65/53/389526553.db2.gz ITNFHCIVUFYQPJ-WDEREUQCSA-N 0 3 293.327 0.486 20 5 CCBDHN COCCN(CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000350724871 389537489 /nfs/dbraw/zinc/53/74/89/389537489.db2.gz PQRATNVBGSSRJA-UHFFFAOYSA-N 0 3 254.290 0.902 20 5 CCBDHN O=C(COC1CNC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000430293023 389793820 /nfs/dbraw/zinc/79/38/20/389793820.db2.gz YAQDVTQKONSOMR-UHFFFAOYSA-N 0 3 279.296 0.242 20 5 CCBDHN COC[C@H](NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCO1 ZINC000434792569 389946591 /nfs/dbraw/zinc/94/65/91/389946591.db2.gz HPTUAWTUIMAGSK-RYUDHWBXSA-N 0 3 284.316 0.575 20 5 CCBDHN CNC(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440498384 390038275 /nfs/dbraw/zinc/03/82/75/390038275.db2.gz JULIBAXCWGHMBI-JTQLQIEISA-N 0 3 293.327 0.612 20 5 CCBDHN CN1CC=C(CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000539565063 390207162 /nfs/dbraw/zinc/20/71/62/390207162.db2.gz KDPIVEYGWNTRTH-UHFFFAOYSA-N 0 3 276.296 0.982 20 5 CCBDHN CCOC(=O)N[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000496004252 390282563 /nfs/dbraw/zinc/28/25/63/390282563.db2.gz WNRIWBHQINQEIS-RKDXNWHRSA-N 0 3 276.289 0.966 20 5 CCBDHN Cc1nn(C)c(C(=O)NCCN2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000572543227 390789117 /nfs/dbraw/zinc/78/91/17/390789117.db2.gz YCKCXKDTWWHHBT-VIFPVBQESA-N 0 3 295.343 0.708 20 5 CCBDHN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)CN1 ZINC000237650290 131050524 /nfs/dbraw/zinc/05/05/24/131050524.db2.gz HATXZNMHFGEJDF-IUCAKERBSA-N 0 3 278.312 0.999 20 5 CCBDHN COCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000263791503 131331389 /nfs/dbraw/zinc/33/13/89/131331389.db2.gz QUFWQVDQXLQYIC-UHFFFAOYSA-N 0 3 281.312 0.903 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356475825 144006013 /nfs/dbraw/zinc/00/60/13/144006013.db2.gz HLGQUKRPOWHFET-QMMMGPOBSA-N 0 3 267.289 0.152 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CN1C1CC1 ZINC000356728137 144027784 /nfs/dbraw/zinc/02/77/84/144027784.db2.gz JPXBMFHQGQGYFG-DTWKUNHWSA-N 0 3 293.327 0.683 20 5 CCBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000357334403 144082714 /nfs/dbraw/zinc/08/27/14/144082714.db2.gz YPZMQAGIPGYHDB-UHFFFAOYSA-N 0 3 284.316 0.621 20 5 CCBDHN C[C@H](CN(C)C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357534144 144098745 /nfs/dbraw/zinc/09/87/45/144098745.db2.gz NGRZLSPFURKUFX-SSDOTTSWSA-N 0 3 267.289 0.451 20 5 CCBDHN CN1CC[C@@](O)(CNCc2ccccc2[N+](=O)[O-])C1 ZINC000358119609 144153993 /nfs/dbraw/zinc/15/39/93/144153993.db2.gz OVJLOZWVDUPMJK-CYBMUJFWSA-N 0 3 265.313 0.751 20 5 CCBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cn[nH]c1 ZINC000358802758 144180627 /nfs/dbraw/zinc/18/06/27/144180627.db2.gz DTEYJXCGHHKEJW-GZMMTYOYSA-N 0 3 280.288 0.226 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)C(C)C ZINC000049825570 411676831 /nfs/dbraw/zinc/67/68/31/411676831.db2.gz QPNPVJVLJRFPIC-UHFFFAOYSA-N 0 3 256.306 0.802 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285046003 196184868 /nfs/dbraw/zinc/18/48/68/196184868.db2.gz PYOKWGGDADFDCR-QMMMGPOBSA-N 0 3 267.289 0.532 20 5 CCBDHN CN(CCN)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420380803 276942366 /nfs/dbraw/zinc/94/23/66/276942366.db2.gz OGEJPKLLYLQGPD-UHFFFAOYSA-N 0 3 287.341 0.259 20 5 CCBDHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577373283 335344038 /nfs/dbraw/zinc/34/40/38/335344038.db2.gz OFTJLEITNHWADH-BQBZGAKWSA-N 0 3 274.302 0.004 20 5 CCBDHN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577373286 335344049 /nfs/dbraw/zinc/34/40/49/335344049.db2.gz OFTJLEITNHWADH-RQJHMYQMSA-N 0 3 274.302 0.004 20 5 CCBDHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000581539743 336097528 /nfs/dbraw/zinc/09/75/28/336097528.db2.gz RPPJICJOSFUXQZ-QMMMGPOBSA-N 0 3 267.289 0.390 20 5 CCBDHN Cc1c(CC(=O)NC[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423996012 533832244 /nfs/dbraw/zinc/83/22/44/533832244.db2.gz VTSRAWBMFAIBRG-GFCCVEGCSA-N 0 3 293.323 0.550 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1O ZINC000186869622 533943386 /nfs/dbraw/zinc/94/33/86/533943386.db2.gz HJBQLUUNSBUOHG-ONGXEEELSA-N 0 3 254.290 0.494 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@]2(O)CCN(C)C2)n1 ZINC000358335422 534328639 /nfs/dbraw/zinc/32/86/39/534328639.db2.gz HPHZLSWRCCDEQH-LBPRGKRZSA-N 0 3 266.301 0.777 20 5 CCBDHN O=C(N[C@H]1CNCCC1(F)F)c1cc([N+](=O)[O-])c[nH]1 ZINC000449659001 534813080 /nfs/dbraw/zinc/81/30/80/534813080.db2.gz CMBNETFXBGRHTG-QMMMGPOBSA-N 0 3 274.227 0.650 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000358070503 536480421 /nfs/dbraw/zinc/48/04/21/536480421.db2.gz VUWBTWUVVBBYNS-ZDUSSCGKSA-N 0 3 297.286 0.530 20 5 CCBDHN COC(=O)C[C@]1(NCCn2ccc([N+](=O)[O-])n2)CCOC1 ZINC000362287711 536363040 /nfs/dbraw/zinc/36/30/40/536363040.db2.gz WOWCNYLBGZVXCK-GFCCVEGCSA-N 0 3 298.299 0.103 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](O)CN(C)C)c1 ZINC000782271058 581294650 /nfs/dbraw/zinc/29/46/50/581294650.db2.gz WYEOORMTFCTWAA-SNVBAGLBSA-N 0 3 297.311 0.716 20 5 CCBDHN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000794852563 581389640 /nfs/dbraw/zinc/38/96/40/581389640.db2.gz KJRMCHJPYFMCIY-ZOBORPQBSA-N 0 3 278.308 0.798 20 5 CCBDHN O=[N+]([O-])c1ccc([C@@H](O)CN(CCO)CCCO)cc1 ZINC000776581330 582079943 /nfs/dbraw/zinc/07/99/43/582079943.db2.gz CWSVHKBCIPQCOF-ZDUSSCGKSA-N 0 3 284.312 0.305 20 5 CCBDHN CC(=O)Nc1nc(C(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813103179 614209701 /nfs/dbraw/zinc/20/97/01/614209701.db2.gz YRWKQCPYDUQZMK-YFKPBYRVSA-N 0 3 273.270 0.924 20 5 CCBDHN CCC(=O)N1CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813103559 614626680 /nfs/dbraw/zinc/62/66/80/614626680.db2.gz QKIFEAOZBGGORW-RKDXNWHRSA-N 0 3 258.274 0.453 20 5 CCBDHN CCN(CCOCCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000800428150 615057412 /nfs/dbraw/zinc/05/74/12/615057412.db2.gz NWMDFKIVCWRMRV-AWEZNQCLSA-N 0 3 298.339 0.959 20 5 CCBDHN CCc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC000819052663 615650957 /nfs/dbraw/zinc/65/09/57/615650957.db2.gz BORIJZFCRINVQH-LBPRGKRZSA-N 0 3 294.315 0.228 20 5 CCBDHN CN(CCCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799365237 616076010 /nfs/dbraw/zinc/07/60/10/616076010.db2.gz VMXNSPVHIKFMEA-GFCCVEGCSA-N 0 3 254.286 0.942 20 5 CCBDHN CN(CCc1nnnn1C)CCc1ccccc1[N+](=O)[O-] ZINC000878598513 616125977 /nfs/dbraw/zinc/12/59/77/616125977.db2.gz JZXPKXFBMJVQFM-UHFFFAOYSA-N 0 3 290.327 0.835 20 5 CCBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)CO ZINC000930442858 616126030 /nfs/dbraw/zinc/12/60/30/616126030.db2.gz ZAYVYGMUNSCWIB-NSHDSACASA-N 0 3 254.286 0.422 20 5 CCBDHN COCC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000884064608 616675007 /nfs/dbraw/zinc/67/50/07/616675007.db2.gz NZBWGTMVSGCQKZ-NSHDSACASA-N 0 3 279.296 0.848 20 5 CCBDHN CC(COC(=O)[C@@]12CCC(=O)N1CCS2)[N+](=O)[O-] ZINC000813103539 624648700 /nfs/dbraw/zinc/64/87/00/624648700.db2.gz QDQNADHUCGNYPM-XVKPBYJWSA-N 0 3 274.298 0.260 20 5 CCBDHN CC(COC(=O)c1nn(C)c(=O)c2ccccc21)[N+](=O)[O-] ZINC000813105433 641022143 /nfs/dbraw/zinc/02/21/43/641022143.db2.gz MDQXCFXRQVIQRO-QMMMGPOBSA-N 0 3 291.263 0.756 20 5 CCBDHN CC(COC(=O)[C@H]1Cc2ccccc2C(=O)O1)[N+](=O)[O-] ZINC000813104280 641022310 /nfs/dbraw/zinc/02/23/10/641022310.db2.gz LOFLNEXAIJAEMU-GZMMTYOYSA-N 0 3 279.248 0.977 20 5 CCBDHN CC(COC(=O)c1ccc2nnn(C)c2c1)[N+](=O)[O-] ZINC000813107304 641023810 /nfs/dbraw/zinc/02/38/10/641023810.db2.gz OVGQBCZEHNCZCO-ZETCQYMHSA-N 0 3 264.241 0.790 20 5 CCBDHN Cc1nccn1CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670290 642784230 /nfs/dbraw/zinc/78/42/30/642784230.db2.gz QVVOMPBQBCGGAD-NXEZZACHSA-N 0 3 253.258 0.790 20 5 CCBDHN CO[C@](C)(C(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000851036391 643828762 /nfs/dbraw/zinc/82/87/62/643828762.db2.gz IYEYATKUDZTELI-PRHODGIISA-N 0 3 291.300 0.942 20 5 CCBDHN CC1(C)C[C@@H](O)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000879621751 647087060 /nfs/dbraw/zinc/08/70/60/647087060.db2.gz YIPKQMVVCPQKTF-SNVBAGLBSA-N 0 3 268.317 0.884 20 5 CCBDHN Cc1ccc(N2C(=O)N[C@@H](CN(C)C)C2=O)cc1[N+](=O)[O-] ZINC000927174758 648546989 /nfs/dbraw/zinc/54/69/89/648546989.db2.gz LZJNUFCBFMPOJZ-JTQLQIEISA-N 0 3 292.295 0.890 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCCN(C)C1 ZINC000932069647 649044989 /nfs/dbraw/zinc/04/49/89/649044989.db2.gz DWPWSWWIZUCETP-JTQLQIEISA-N 0 3 281.316 0.310 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252667513 649830975 /nfs/dbraw/zinc/83/09/75/649830975.db2.gz KSSHECVLVZMGCD-VHSXEESVSA-N 0 3 281.316 0.603 20 5 CCBDHN CCN1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2C)C[C@@H]1C ZINC001121298447 799030418 /nfs/dbraw/zinc/03/04/18/799030418.db2.gz HLIOBXNFCDNBTC-VHSXEESVSA-N 0 3 282.348 0.511 20 5 CCBDHN Cc1cc(C(=O)NCCN(C)CCO)c(N)c([N+](=O)[O-])c1 ZINC001155251104 800939475 /nfs/dbraw/zinc/93/94/75/800939475.db2.gz HXEFRAAKPKCREP-UHFFFAOYSA-N 0 3 296.327 0.139 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2nc(CN)cc2C)n1 ZINC001156044730 801101275 /nfs/dbraw/zinc/10/12/75/801101275.db2.gz RPQMFRWJOSPQMP-UHFFFAOYSA-N 0 3 291.267 0.729 20 5 CCBDHN COc1ncnc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001158347944 801623516 /nfs/dbraw/zinc/62/35/16/801623516.db2.gz ALYYDBUOOKREAJ-ZCFIWIBFSA-N 0 3 264.245 0.599 20 5 CCBDHN Cc1ccnc(N(C2CNC2)S(C)(=O)=O)c1[N+](=O)[O-] ZINC001166968269 803001666 /nfs/dbraw/zinc/00/16/66/803001666.db2.gz UIHXGPLCBOOYQD-UHFFFAOYSA-N 0 3 286.313 0.036 20 5 CCBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CNCCN2)n1 ZINC001247718098 807483384 /nfs/dbraw/zinc/48/33/84/807483384.db2.gz WCJFJQOINWXBDN-ZETCQYMHSA-N 0 3 294.246 0.413 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H](CO)[C@H](O)C1)C2 ZINC001254593535 808264254 /nfs/dbraw/zinc/26/42/54/808264254.db2.gz MNLBQDCHDGNHAX-KCPJHIHWSA-N 0 3 292.335 0.737 20 5 CCBDHN COc1nc(-n2nc(CN)cc2C)nc(OC)c1[N+](=O)[O-] ZINC001156038509 822298665 /nfs/dbraw/zinc/29/86/65/822298665.db2.gz ABSKGDQSOLVZCI-UHFFFAOYSA-N 0 3 294.271 0.355 20 5 CCBDHN CC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1C ZINC001169048233 836116272 /nfs/dbraw/zinc/11/62/72/836116272.db2.gz UAGDHOQWOODCLM-KGYLQXTDSA-N 0 3 269.345 0.984 20 5 CCBDHN C[C@H](N)c1ccn(-c2nccc(C(N)=O)c2[N+](=O)[O-])n1 ZINC001169231842 836167171 /nfs/dbraw/zinc/16/71/71/836167171.db2.gz USSKYZNPVNORTP-LURJTMIESA-N 0 3 276.256 0.294 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc([C@@H](C)N)n1 ZINC001158348381 838083391 /nfs/dbraw/zinc/08/33/91/838083391.db2.gz FZYNHKJFLNNGME-SSDOTTSWSA-N 0 3 291.267 0.982 20 5 CCBDHN Cc1ccc(CNC[C@@H](O)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000717289040 848218820 /nfs/dbraw/zinc/21/88/20/848218820.db2.gz SEFYYRRPZBELMU-BXKDBHETSA-N 0 3 254.286 0.735 20 5 CCBDHN CONC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001308054134 908373490 /nfs/dbraw/zinc/37/34/90/908373490.db2.gz DSIFAUTUDJVLSR-UHFFFAOYSA-N 0 3 297.315 0.181 20 5 CCBDHN CCC1(CC)CNC(=O)[C@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC001308105164 908380703 /nfs/dbraw/zinc/38/07/03/908380703.db2.gz XZWFTGROPBZAJI-LLVKDONJSA-N 0 3 295.343 0.686 20 5 CCBDHN CON(C)C(=O)CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001308828488 908438652 /nfs/dbraw/zinc/43/86/52/908438652.db2.gz GAIKBGCKBVLZJC-UHFFFAOYSA-N 0 3 283.288 0.104 20 5 CCBDHN COCC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333632524 919058677 /nfs/dbraw/zinc/05/86/77/919058677.db2.gz ZNRMXNGLFDBJOI-ZDUSSCGKSA-N 0 3 293.323 0.843 20 5 CCBDHN CCn1c(C[N+](=O)[O-])nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001342650892 923037932 /nfs/dbraw/zinc/03/79/32/923037932.db2.gz HQJVPZDXECAHLU-WDEREUQCSA-N 0 3 296.375 0.994 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CNCCO1)CC2 ZINC001347145321 924384436 /nfs/dbraw/zinc/38/44/36/924384436.db2.gz KXVNLAPHUHKOMQ-CQSZACIVSA-N 0 3 277.324 0.941 20 5 CCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CN2CCC1CC2 ZINC001347292018 924416072 /nfs/dbraw/zinc/41/60/72/924416072.db2.gz NFPAFXLUERADTO-GFCCVEGCSA-N 0 3 293.327 0.392 20 5 CCBDHN CN1CCN(c2ccccc2CNCC[N+](=O)[O-])CC1 ZINC001352801493 925645861 /nfs/dbraw/zinc/64/58/61/925645861.db2.gz APTXIMIGRRQCIO-UHFFFAOYSA-N 0 3 278.356 0.805 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001354257191 926059347 /nfs/dbraw/zinc/05/93/47/926059347.db2.gz BKJNUKULVXUWRA-SNVBAGLBSA-N 0 3 291.307 0.764 20 5 CCBDHN C[C@@H](O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090565239 349438526 /nfs/dbraw/zinc/43/85/26/349438526.db2.gz KQMZECQINPMIBU-VXGBXAGGSA-N 0 3 295.339 0.849 20 5 CCBDHN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](C)O ZINC000090529843 349438588 /nfs/dbraw/zinc/43/85/88/349438588.db2.gz MFBDJZLKIFXJCH-LLVKDONJSA-N 0 3 283.328 0.848 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CC(C)(C)O ZINC000092971474 349516563 /nfs/dbraw/zinc/51/65/63/349516563.db2.gz AOPDFSBLOZXQHV-UHFFFAOYSA-N 0 3 256.306 0.802 20 5 CCBDHN CN1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000601185228 362169537 /nfs/dbraw/zinc/16/95/37/362169537.db2.gz RYBNLGUSQWZTIW-ZJUUUORDSA-N 0 3 263.301 0.773 20 5 CCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CNCCO1 ZINC000157353023 290710648 /nfs/dbraw/zinc/71/06/48/290710648.db2.gz YHXKTHDPSMFLSA-GFCCVEGCSA-N 0 3 279.296 0.242 20 5 CCBDHN CCN(CCO)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601455980 362279039 /nfs/dbraw/zinc/27/90/39/362279039.db2.gz YIMRVGIXSJAACM-UHFFFAOYSA-N 0 3 299.302 0.778 20 5 CCBDHN Cc1ccnc(NC[C@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000358322690 232081291 /nfs/dbraw/zinc/08/12/91/232081291.db2.gz RVALZYMERRQSBL-GFCCVEGCSA-N 0 3 266.301 0.777 20 5 CCBDHN CN(CCN1CCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000119473159 349937411 /nfs/dbraw/zinc/93/74/11/349937411.db2.gz VCDJRJNLRWQDNE-UHFFFAOYSA-N 0 3 281.316 0.496 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(C2)CCCOC3)c1 ZINC000367489986 232358581 /nfs/dbraw/zinc/35/85/81/232358581.db2.gz MPLDIBNBRCBPKI-LBPRGKRZSA-N 0 3 296.327 0.265 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H](O)C1CC1 ZINC000602777233 362796230 /nfs/dbraw/zinc/79/62/30/362796230.db2.gz CJYHRARTURMVFU-LLVKDONJSA-N 0 3 268.317 0.802 20 5 CCBDHN COC[C@H](NCCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000602823645 362820325 /nfs/dbraw/zinc/82/03/25/362820325.db2.gz YAKVOKXIONQNBA-NWDGAFQWSA-N 0 3 298.343 0.883 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343441668 137135005 /nfs/dbraw/zinc/13/50/05/137135005.db2.gz AJNJDHOXYTZPBM-GXSJLCMTSA-N 0 3 295.343 0.699 20 5 CCBDHN CN(CCN1CCCC1)c1c([N+](=O)[O-])ncn1C ZINC000343576252 137143098 /nfs/dbraw/zinc/14/30/98/137143098.db2.gz GIJVALCMXWKVLK-UHFFFAOYSA-N 0 3 253.306 0.860 20 5 CCBDHN CCNC(=O)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000036780549 348170436 /nfs/dbraw/zinc/17/04/36/348170436.db2.gz KQVZEBFGOKRMDI-UHFFFAOYSA-N 0 3 251.286 0.863 20 5 CCBDHN CN(C)CC1(NC(=O)CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000339406247 215150374 /nfs/dbraw/zinc/15/03/74/215150374.db2.gz RLAZQLLSKCATFS-UHFFFAOYSA-N 0 3 295.343 0.782 20 5 CCBDHN CN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CCN(C2CC2)C1 ZINC000347308813 137330575 /nfs/dbraw/zinc/33/05/75/137330575.db2.gz NMNHEDCAVTXWBW-VIFPVBQESA-N 0 3 278.316 0.470 20 5 CCBDHN O=C(CCOC1CNC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000349027098 137384595 /nfs/dbraw/zinc/38/45/95/137384595.db2.gz LIILFBCEPBRPGI-UHFFFAOYSA-N 0 3 291.307 0.862 20 5 CCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CCCCC1 ZINC000065780405 348726115 /nfs/dbraw/zinc/72/61/15/348726115.db2.gz URAKQGMBMWQESI-UHFFFAOYSA-N 0 3 295.343 0.784 20 5 CCBDHN CN(C)CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000080393828 349212109 /nfs/dbraw/zinc/21/21/09/349212109.db2.gz QDWPLLRRVBYGTP-UHFFFAOYSA-N 0 3 284.291 0.950 20 5 CCBDHN COc1ccc(OC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000080745187 349227716 /nfs/dbraw/zinc/22/77/16/349227716.db2.gz SCIJMALWEMNSAY-JTQLQIEISA-N 0 3 268.269 0.971 20 5 CCBDHN CN(CCN1CCCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000134077238 350353273 /nfs/dbraw/zinc/35/32/73/350353273.db2.gz TYGAPZMHUQGXSA-UHFFFAOYSA-N 0 3 267.289 0.486 20 5 CCBDHN CS(=O)(=O)c1cccc(NC2CNC2)c1[N+](=O)[O-] ZINC000138079213 350439721 /nfs/dbraw/zinc/43/97/21/350439721.db2.gz DNZCIVXUVWLDIR-UHFFFAOYSA-N 0 3 271.298 0.382 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151285194 350497976 /nfs/dbraw/zinc/49/79/76/350497976.db2.gz KZOOXGKWCAARKD-JTQLQIEISA-N 0 3 296.331 0.185 20 5 CCBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CNCCO1 ZINC000157358880 350644442 /nfs/dbraw/zinc/64/44/42/350644442.db2.gz UGNLEWNSGKELHD-MUBLQREKSA-N 0 3 291.307 0.713 20 5 CCBDHN COc1ccc(CN[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000111014602 186342792 /nfs/dbraw/zinc/34/27/92/186342792.db2.gz JILYPXCUAWWXNH-SNVBAGLBSA-N 0 3 279.296 0.972 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCO1 ZINC000176225953 351162389 /nfs/dbraw/zinc/16/23/89/351162389.db2.gz CLDRFXKEPYIFPB-SNVBAGLBSA-N 0 3 254.290 0.902 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN2CCC1CC2 ZINC000188649162 351615293 /nfs/dbraw/zinc/61/52/93/351615293.db2.gz FTRGDUPVQCXNER-UHFFFAOYSA-N 0 3 293.327 0.406 20 5 CCBDHN C[C@H]1CCNC(=O)[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000193626861 351836796 /nfs/dbraw/zinc/83/67/96/351836796.db2.gz DWNLMXAIYUOICV-XDTLVQLUSA-N 0 3 293.323 0.742 20 5 CCBDHN COCCNCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000212742501 351930799 /nfs/dbraw/zinc/93/07/99/351930799.db2.gz YFMXZBOHMGLOFF-UHFFFAOYSA-N 0 3 281.312 0.869 20 5 CCBDHN COCCNCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000216444268 351941829 /nfs/dbraw/zinc/94/18/29/351941829.db2.gz MPWBXMBAQKUUGU-UHFFFAOYSA-N 0 3 254.290 0.946 20 5 CCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CNCCO1 ZINC000228393744 352074418 /nfs/dbraw/zinc/07/44/18/352074418.db2.gz BTDFYDDAWHESJU-GFCCVEGCSA-N 0 3 279.296 0.242 20 5 CCBDHN CC(C)C[C@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000236690757 352205962 /nfs/dbraw/zinc/20/59/62/352205962.db2.gz YABIAYQUOIEJSR-JTQLQIEISA-N 0 3 269.305 0.281 20 5 CCBDHN COC[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266928296 352733241 /nfs/dbraw/zinc/73/32/41/352733241.db2.gz LAUBDASIEKOBGG-JTQLQIEISA-N 0 3 254.290 0.760 20 5 CCBDHN COC[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267085515 352743170 /nfs/dbraw/zinc/74/31/70/352743170.db2.gz OEXXOOOGISPZDP-JTQLQIEISA-N 0 3 254.290 0.760 20 5 CCBDHN C[C@@H]1CCCN(CCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271133599 353024901 /nfs/dbraw/zinc/02/49/01/353024901.db2.gz QOQNXIFLRAZBER-SNVBAGLBSA-N 0 3 295.343 0.790 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](CO)CC1 ZINC000293102604 353791137 /nfs/dbraw/zinc/79/11/37/353791137.db2.gz LFCXMEAUROOWBE-LBPRGKRZSA-N 0 3 295.339 0.851 20 5 CCBDHN C[C@@H]1CCC[C@@H](CO)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000305876463 354167682 /nfs/dbraw/zinc/16/76/82/354167682.db2.gz RFSCSQWQWCPQOT-YPMHNXCESA-N 0 3 295.339 0.992 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@H]1O ZINC000352669023 356048426 /nfs/dbraw/zinc/04/84/26/356048426.db2.gz WSINYNOPRSXAQW-NWDGAFQWSA-N 0 3 281.312 0.602 20 5 CCBDHN CCN1CCN(CCCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273622649 192235390 /nfs/dbraw/zinc/23/53/90/192235390.db2.gz OXLAUHQATVFMIJ-UHFFFAOYSA-N 0 3 294.359 0.824 20 5 CCBDHN CN1CC[C@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000269101313 283161101 /nfs/dbraw/zinc/16/11/01/283161101.db2.gz RXBMEWPFBLBJLI-UWVGGRQHSA-N 0 3 292.343 0.888 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN(CCCO)C2CC2)c1 ZINC000610447944 363561033 /nfs/dbraw/zinc/56/10/33/363561033.db2.gz ZQRJMUJOLKWAQY-UHFFFAOYSA-N 0 3 254.290 0.638 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](CCO)C2)n1 ZINC000610485252 363564651 /nfs/dbraw/zinc/56/46/51/363564651.db2.gz ZXQCDMUQNUYHBX-NSHDSACASA-N 0 3 268.317 0.886 20 5 CCBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000293925233 198829569 /nfs/dbraw/zinc/82/95/69/198829569.db2.gz BHPHVHZCGVSZMY-UHFFFAOYSA-N 0 3 293.287 0.328 20 5 CCBDHN NC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(F)(F)F ZINC000401778248 357805640 /nfs/dbraw/zinc/80/56/40/357805640.db2.gz OPPKMULHCJGODA-RXMQYKEDSA-N 0 3 267.163 0.807 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCCO)C1CC1 ZINC000404372466 357820921 /nfs/dbraw/zinc/82/09/21/357820921.db2.gz PGLNBCDHRDHXIY-UHFFFAOYSA-N 0 3 268.317 0.947 20 5 CCBDHN CN(C)C(=O)C(C)(C)NCCn1ccc([N+](=O)[O-])n1 ZINC000533386608 358537302 /nfs/dbraw/zinc/53/73/02/358537302.db2.gz AFSITQBHCHDCRL-UHFFFAOYSA-N 0 3 269.305 0.248 20 5 CCBDHN CCCC[C@H](CN)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000567892499 358606826 /nfs/dbraw/zinc/60/68/26/358606826.db2.gz HPCYDLQNDULFTF-SNVBAGLBSA-N 0 3 296.327 0.390 20 5 CCBDHN C[C@@H]1COCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610990951 363644443 /nfs/dbraw/zinc/64/44/43/363644443.db2.gz WHLBACUXWUZVJQ-PWSUYJOCSA-N 0 3 284.316 0.263 20 5 CCBDHN Cc1cc(N[C@H](CO)CN(C)C)ncc1[N+](=O)[O-] ZINC000589102004 359358654 /nfs/dbraw/zinc/35/86/54/359358654.db2.gz SJQDKBRXPDMBJC-VIFPVBQESA-N 0 3 254.290 0.633 20 5 CCBDHN CCN1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000611092172 363659175 /nfs/dbraw/zinc/65/91/75/363659175.db2.gz KKOSOXXZFVFUJH-NSHDSACASA-N 0 3 267.333 0.817 20 5 CCBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC000562981548 291177977 /nfs/dbraw/zinc/17/79/77/291177977.db2.gz STPVLTCWWUVXKA-JTQLQIEISA-N 0 3 295.295 0.078 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000590445572 359468326 /nfs/dbraw/zinc/46/83/26/359468326.db2.gz QTSUSICHDCXNSB-RKDXNWHRSA-N 0 3 279.300 0.104 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000591435836 359592398 /nfs/dbraw/zinc/59/23/98/359592398.db2.gz SYIBZCKAEBJAJL-DTORHVGOSA-N 0 3 251.290 0.659 20 5 CCBDHN COCC1(N(C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611185639 363675674 /nfs/dbraw/zinc/67/56/74/363675674.db2.gz MUTTYOYMLQMIRV-UHFFFAOYSA-N 0 3 281.312 0.867 20 5 CCBDHN Cc1c([N+](=O)[O-])ccc(=O)n1C[C@H]1CNCCO1 ZINC000594696911 360362136 /nfs/dbraw/zinc/36/21/36/360362136.db2.gz SVRMXYPJGYHHHP-SECBINFHSA-N 0 3 253.258 0.053 20 5 CCBDHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595111783 360438724 /nfs/dbraw/zinc/43/87/24/360438724.db2.gz OBPYKMXTCOCEMR-BQBZGAKWSA-N 0 3 274.302 0.004 20 5 CCBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3CNCCO3)CC2)n1 ZINC000595890987 360691920 /nfs/dbraw/zinc/69/19/20/360691920.db2.gz GXMLZJMDRMDVPO-LBPRGKRZSA-N 0 3 295.343 0.417 20 5 CCBDHN CC(C)NCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595953847 360730643 /nfs/dbraw/zinc/73/06/43/360730643.db2.gz MWTLZHPHPUPIGL-UHFFFAOYSA-N 0 3 278.312 0.873 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000596244531 360851302 /nfs/dbraw/zinc/85/13/02/360851302.db2.gz RGCRZMGZGQALOF-NSHDSACASA-N 0 3 290.323 0.899 20 5 CCBDHN CCCN1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000596517297 360913476 /nfs/dbraw/zinc/91/34/76/360913476.db2.gz LSMIWEKZTFFPBD-VIFPVBQESA-N 0 3 293.327 0.985 20 5 CCBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000597606310 361159714 /nfs/dbraw/zinc/15/97/14/361159714.db2.gz WJLGDJXQMNQRFO-SECBINFHSA-N 0 3 281.316 0.874 20 5 CCBDHN COc1cc(C(=O)N[C@@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000597652439 361173218 /nfs/dbraw/zinc/17/32/18/361173218.db2.gz BTWDNYABQFLLTA-SNVBAGLBSA-N 0 3 297.311 0.256 20 5 CCBDHN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCN(C)C1 ZINC000597945028 361288600 /nfs/dbraw/zinc/28/86/00/361288600.db2.gz GRNTVEJDDBZRDQ-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN CCCN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000598341776 361392677 /nfs/dbraw/zinc/39/26/77/361392677.db2.gz GAEFBZUPEUNNGW-LLVKDONJSA-N 0 3 295.343 0.700 20 5 CCBDHN CNc1ccc(C(=O)NCCNCCOC)cc1[N+](=O)[O-] ZINC000572402349 291877133 /nfs/dbraw/zinc/87/71/33/291877133.db2.gz HOKXYGZINYGQNF-UHFFFAOYSA-N 0 3 296.327 0.602 20 5 CCBDHN CC(C)c1[nH]nc(C(=O)N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000270860500 389435270 /nfs/dbraw/zinc/43/52/70/389435270.db2.gz SWJYYOMPYFWLHG-UHFFFAOYSA-N 0 3 281.316 0.827 20 5 CCBDHN CC(C)OC[C@@H](CO)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000433147989 389901298 /nfs/dbraw/zinc/90/12/98/389901298.db2.gz PTPWUNKEVKFBSV-GFCCVEGCSA-N 0 3 286.332 0.509 20 5 CCBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547763716 390397377 /nfs/dbraw/zinc/39/73/77/390397377.db2.gz ZRBRJNUHVSYCDT-WCBMZHEXSA-N 0 3 281.316 0.730 20 5 CCBDHN Cc1nc(NC[C@H]2CCCCN2CCO)ccc1[N+](=O)[O-] ZINC000450609654 533599249 /nfs/dbraw/zinc/59/92/49/533599249.db2.gz FPGILEMKKMKRNA-GFCCVEGCSA-N 0 3 294.355 0.979 20 5 CCBDHN O=C(CNC[C@@H]1CCCO1)NCc1ccccc1[N+](=O)[O-] ZINC000237902357 131065146 /nfs/dbraw/zinc/06/51/46/131065146.db2.gz NEDHODPJLIVRED-LBPRGKRZSA-N 0 3 293.323 0.980 20 5 CCBDHN C[C@H](CO)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245608937 131088169 /nfs/dbraw/zinc/08/81/69/131088169.db2.gz KTQGHCTYKVUGTO-ZYHUDNBSSA-N 0 3 284.312 0.647 20 5 CCBDHN C[C@H]1NCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000262743761 131257762 /nfs/dbraw/zinc/25/77/62/131257762.db2.gz FHPHZHDRKANXHG-NXEZZACHSA-N 0 3 281.316 0.390 20 5 CCBDHN C[C@H]1NCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000262743764 131257773 /nfs/dbraw/zinc/25/77/73/131257773.db2.gz FHPHZHDRKANXHG-ZJUUUORDSA-N 0 3 281.316 0.390 20 5 CCBDHN CCN(CCNC(=O)Cn1cc([N+](=O)[O-])nc1C)C1CC1 ZINC000263665319 131304394 /nfs/dbraw/zinc/30/43/94/131304394.db2.gz BRUCNYSNJBGEQU-UHFFFAOYSA-N 0 3 295.343 0.700 20 5 CCBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000263692742 131310252 /nfs/dbraw/zinc/31/02/52/131310252.db2.gz RRDNDXRQXTVOKT-QMMMGPOBSA-N 0 3 281.316 0.704 20 5 CCBDHN Cc1nn(C)c(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000267891763 131929848 /nfs/dbraw/zinc/92/98/48/131929848.db2.gz UGNWUKVRIMBGGM-UHFFFAOYSA-N 0 3 269.305 0.270 20 5 CCBDHN C[C@H]1[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000357030553 144052177 /nfs/dbraw/zinc/05/21/77/144052177.db2.gz FDACYMXLTGHBCZ-QWRGUYRKSA-N 0 3 267.333 0.816 20 5 CCBDHN Cc1c(C(=O)NC[C@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000358068992 144148958 /nfs/dbraw/zinc/14/89/58/144148958.db2.gz SENFPRWUVIUZPK-CQSZACIVSA-N 0 3 293.323 0.700 20 5 CCBDHN Cc1nn(C)c(NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000358870522 144184164 /nfs/dbraw/zinc/18/41/64/144184164.db2.gz LJHNZPXHUTUNSI-UHFFFAOYSA-N 0 3 296.375 0.686 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](CO)C1 ZINC000049774039 411676318 /nfs/dbraw/zinc/67/63/18/411676318.db2.gz IAEJVLNYDNRMQW-NSHDSACASA-N 0 3 268.317 0.804 20 5 CCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285594430 196338154 /nfs/dbraw/zinc/33/81/54/196338154.db2.gz IXNGCOAAQDFDPR-PSASIEDQSA-N 0 3 281.316 0.730 20 5 CCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N(C)C1CC1 ZINC000184297447 262278419 /nfs/dbraw/zinc/27/84/19/262278419.db2.gz XLAKBGMTHFKGTQ-QMMMGPOBSA-N 0 3 293.327 0.785 20 5 CCBDHN O=[N+]([O-])c1cccc2ncnc(N3CCNCC3)c21 ZINC000420114839 275039560 /nfs/dbraw/zinc/03/95/60/275039560.db2.gz DYPYRLROXQKSSO-UHFFFAOYSA-N 0 3 259.269 0.948 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCNCC1 ZINC000019984365 281018802 /nfs/dbraw/zinc/01/88/02/281018802.db2.gz VWRSMUBEKOVVGI-UHFFFAOYSA-N 0 3 299.352 0.887 20 5 CCBDHN CN(C)[C@]1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCSC1 ZINC000580290001 327765861 /nfs/dbraw/zinc/76/58/61/327765861.db2.gz WOHIYIRXPJZHSO-NSHDSACASA-N 0 3 299.356 0.485 20 5 CCBDHN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000576645267 335230290 /nfs/dbraw/zinc/23/02/90/335230290.db2.gz WNBXYILLVMTZKY-UHFFFAOYSA-N 0 3 294.355 0.783 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CNCCO1 ZINC000157358090 525561751 /nfs/dbraw/zinc/56/17/51/525561751.db2.gz QWGCCHRKUINMFP-NSHDSACASA-N 0 3 279.296 0.621 20 5 CCBDHN C[C@H]1CCCCN1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055377243 526248487 /nfs/dbraw/zinc/24/84/87/526248487.db2.gz MLGMMJCELZRUQT-NSHDSACASA-N 0 3 295.343 0.782 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356481631 535567163 /nfs/dbraw/zinc/56/71/63/535567163.db2.gz OUNOLQPUQPBIBJ-SECBINFHSA-N 0 3 281.316 0.542 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](O)[C@H](N(C)C)C1 ZINC000359954486 535970552 /nfs/dbraw/zinc/97/05/52/535970552.db2.gz OBTZCYVVZNGFKI-NXEZZACHSA-N 0 3 283.332 0.231 20 5 CCBDHN CCC[C@H](O)[C@@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843098818 614427863 /nfs/dbraw/zinc/42/78/63/614427863.db2.gz ALYRPCUXJIVCFV-HZSPNIEDSA-N 0 3 298.339 0.740 20 5 CCBDHN CC(COC(=O)CN(C)C(=O)[C@H](C)n1cccn1)[N+](=O)[O-] ZINC000816090858 617300342 /nfs/dbraw/zinc/30/03/42/617300342.db2.gz ALTAFZLQJPEELY-ZJUUUORDSA-N 0 3 298.299 0.111 20 5 CCBDHN CC(C)C(=O)N1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108225 614360993 /nfs/dbraw/zinc/36/09/93/614360993.db2.gz WCLQWEDWKPTUPB-VHSXEESVSA-N 0 3 272.301 0.842 20 5 CCBDHN CCN1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)C1 ZINC000910283680 615120870 /nfs/dbraw/zinc/12/08/70/615120870.db2.gz LHPMHNZWHUGEIG-JTQLQIEISA-N 0 3 295.343 0.885 20 5 CCBDHN CCOC(=O)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000932645968 615378494 /nfs/dbraw/zinc/37/84/94/615378494.db2.gz WOCVHRHTUIEBRA-JTQLQIEISA-N 0 3 282.300 0.676 20 5 CCBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])cn1C ZINC000854946929 615908738 /nfs/dbraw/zinc/90/87/38/615908738.db2.gz AWIHGKRCZYTCKA-UHFFFAOYSA-N 0 3 256.262 0.156 20 5 CCBDHN COC(=O)[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@H]1C ZINC000878493042 616307185 /nfs/dbraw/zinc/30/71/85/616307185.db2.gz VSWXKFXUGCKMIJ-GXSJLCMTSA-N 0 3 296.327 0.983 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@H]2C1 ZINC000930619727 616507237 /nfs/dbraw/zinc/50/72/37/616507237.db2.gz GNQAMTISBLWKIL-SKDRFNHKSA-N 0 3 291.311 0.580 20 5 CCBDHN Cc1cnc2c(C(=O)OCC(C)[N+](=O)[O-])cnn2c1 ZINC000893046469 625303627 /nfs/dbraw/zinc/30/36/27/625303627.db2.gz CJYJDSKLOMKQPW-MRVPVSSYSA-N 0 3 264.241 0.860 20 5 CCBDHN CCN(CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351093 623368599 /nfs/dbraw/zinc/36/85/99/623368599.db2.gz AHPOAQOTJIYLQM-LBPRGKRZSA-N 0 3 254.286 0.942 20 5 CCBDHN CC(COC(=O)[C@H](C)NC(=O)c1ccco1)[N+](=O)[O-] ZINC000813104401 624649174 /nfs/dbraw/zinc/64/91/74/624649174.db2.gz ZYADCQYESMHSKA-YUMQZZPRSA-N 0 3 270.241 0.606 20 5 CCBDHN Cc1csc(=O)n1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813106362 624649979 /nfs/dbraw/zinc/64/99/79/624649979.db2.gz BRRLRDLTMKRJRK-SSDOTTSWSA-N 0 3 274.298 0.817 20 5 CCBDHN O=[N+]([O-])c1ccnn1CN1CC[C@H]2[C@H]1CCCN2CCO ZINC000902644643 634428646 /nfs/dbraw/zinc/42/86/46/634428646.db2.gz QCJXBMDLLTVKPC-NEPJUHHUSA-N 0 3 295.343 0.280 20 5 CCBDHN O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1CNCCO1)C2 ZINC000903882337 634677284 /nfs/dbraw/zinc/67/72/84/634677284.db2.gz LYTKFOBVAZASEB-LBPRGKRZSA-N 0 3 277.324 0.941 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)C2(O)CCC2)c1 ZINC000905067278 634795705 /nfs/dbraw/zinc/79/57/05/634795705.db2.gz XQJQQOLQTRWGSY-GFCCVEGCSA-N 0 3 266.297 0.960 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCN(C)CCO ZINC000912607004 636617547 /nfs/dbraw/zinc/61/75/47/636617547.db2.gz NXBQFWCQRLDKOK-UHFFFAOYSA-N 0 3 295.339 0.899 20 5 CCBDHN Cc1cccc(C(=O)N(C)CCN(C)CCO)c1[N+](=O)[O-] ZINC000912610755 636619798 /nfs/dbraw/zinc/61/97/98/636619798.db2.gz KYPASXPAUZCWRZ-UHFFFAOYSA-N 0 3 295.339 0.899 20 5 CCBDHN C[C@H]1CCCN1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000811808951 640987693 /nfs/dbraw/zinc/98/76/93/640987693.db2.gz IMEAHKGQBBUANU-VIFPVBQESA-N 0 3 293.327 0.985 20 5 CCBDHN CC(COC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[N+](=O)[O-] ZINC000813106780 641023428 /nfs/dbraw/zinc/02/34/28/641023428.db2.gz GZJMHZJYBMTIHL-IUCAKERBSA-N 0 3 294.329 0.009 20 5 CCBDHN CC(COC(=O)Cn1ncc2ccccc2c1=O)[N+](=O)[O-] ZINC000813108532 641023613 /nfs/dbraw/zinc/02/36/13/641023613.db2.gz GZASNLDPFMSRHV-SECBINFHSA-N 0 3 291.263 0.605 20 5 CCBDHN CC(COC(=O)CCCS(C)(=O)=O)[N+](=O)[O-] ZINC000813107331 641023777 /nfs/dbraw/zinc/02/37/77/641023777.db2.gz PGKVTGRSYIZIPK-SSDOTTSWSA-N 0 3 253.276 0.020 20 5 CCBDHN CC(COC(=O)[C@H](C)NC(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813110793 641024285 /nfs/dbraw/zinc/02/42/85/641024285.db2.gz JPLBIJQLUFPERE-SFYZADRCSA-N 0 3 260.290 0.746 20 5 CCBDHN CC(COC(=O)c1cccc(NC(N)=O)c1)[N+](=O)[O-] ZINC000813110694 641024329 /nfs/dbraw/zinc/02/43/29/641024329.db2.gz HOGZTDFAAVCZQW-ZETCQYMHSA-N 0 3 267.241 0.999 20 5 CCBDHN CC(COC(=O)c1ccn(CC(F)F)n1)[N+](=O)[O-] ZINC000813113891 641024400 /nfs/dbraw/zinc/02/44/00/641024400.db2.gz KIHMSSVNHKLLBT-ZCFIWIBFSA-N 0 3 263.200 0.970 20 5 CCBDHN CC(COC(=O)CN1CCc2ccccc2C1=O)[N+](=O)[O-] ZINC000813112821 641024887 /nfs/dbraw/zinc/02/48/87/641024887.db2.gz UCYQORYXGDKAST-SNVBAGLBSA-N 0 3 292.291 0.893 20 5 CCBDHN O=C(NCc1ccc2[nH]cnc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000854812524 644262480 /nfs/dbraw/zinc/26/24/80/644262480.db2.gz VYGNCVSJCUFBOZ-LDYMZIIASA-N 0 3 260.253 0.844 20 5 CCBDHN O=C(NCc1ccc2nc[nH]c2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000854812524 644262484 /nfs/dbraw/zinc/26/24/84/644262484.db2.gz VYGNCVSJCUFBOZ-LDYMZIIASA-N 0 3 260.253 0.844 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NOCCN(C)C ZINC000854945855 644275091 /nfs/dbraw/zinc/27/50/91/644275091.db2.gz SCDGCOPDYFHNNX-UHFFFAOYSA-N 0 3 285.304 0.099 20 5 CCBDHN Cc1noc(CN2C[C@@H]3CCCN3C[C@@H]2CO)c1[N+](=O)[O-] ZINC000880073022 647150877 /nfs/dbraw/zinc/15/08/77/647150877.db2.gz PUEJNBYDOKDACG-WDEREUQCSA-N 0 3 296.327 0.532 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(F)CC2)c1 ZINC000880242426 647173949 /nfs/dbraw/zinc/17/39/49/647173949.db2.gz YQYFOZYDZLFACY-LLVKDONJSA-N 0 3 272.280 0.586 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000933485673 649122916 /nfs/dbraw/zinc/12/29/16/649122916.db2.gz JBRHIIZLODUGDM-NSHDSACASA-N 0 3 295.343 0.652 20 5 CCBDHN COCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122387994 799219800 /nfs/dbraw/zinc/21/98/00/799219800.db2.gz KUPLEEUCKLSRCY-UHFFFAOYSA-N 0 3 281.312 0.837 20 5 CCBDHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C(C)(C)C1 ZINC001156836502 801246957 /nfs/dbraw/zinc/24/69/57/801246957.db2.gz JYRWSMOZUMHJOI-SECBINFHSA-N 0 3 281.316 0.778 20 5 CCBDHN O=[N+]([O-])c1ncccc1NCc1nnn2c1CNCCC2 ZINC001162971587 802444888 /nfs/dbraw/zinc/44/48/88/802444888.db2.gz LJUSZOFSEIRABM-UHFFFAOYSA-N 0 3 289.299 0.687 20 5 CCBDHN CN(c1c(Cl)nccc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164286921 802707413 /nfs/dbraw/zinc/70/74/13/802707413.db2.gz DVLCOVMWBRYLKS-UHFFFAOYSA-N 0 3 294.720 0.368 20 5 CCBDHN CN(c1cc(F)cc(F)c1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164296739 802711051 /nfs/dbraw/zinc/71/10/51/802711051.db2.gz NPYMTAPZIWZUNG-UHFFFAOYSA-N 0 3 295.267 0.598 20 5 CCBDHN NC(=O)[C@@H](N)Cc1ccc(O[C@@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001218329159 803949717 /nfs/dbraw/zinc/94/97/17/803949717.db2.gz SZRTVGGSTBSYRV-STQMWFEESA-N 0 3 293.323 0.476 20 5 CCBDHN O=C1C[C@@H](N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CO1 ZINC001254573558 808261689 /nfs/dbraw/zinc/26/16/89/808261689.db2.gz BWFLLYZEUKWXKK-GHMZBOCLSA-N 0 3 262.265 0.967 20 5 CCBDHN Cc1csc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126932257 815307946 /nfs/dbraw/zinc/30/79/46/815307946.db2.gz OPNNFPFIAOMSFU-RKDXNWHRSA-N 0 3 284.341 0.323 20 5 CCBDHN CC(C)n1ccc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126938743 815331327 /nfs/dbraw/zinc/33/13/27/815331327.db2.gz JDTXKEAELUIRIZ-VXGBXAGGSA-N 0 3 295.343 0.335 20 5 CCBDHN O=C(NCCN(C/C=C/Cl)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267326727 811160606 /nfs/dbraw/zinc/16/06/06/811160606.db2.gz ZZUTVAVANITYKE-HOXXMDGGSA-N 0 3 287.747 0.985 20 5 CCBDHN COCCN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169014385 836099617 /nfs/dbraw/zinc/09/96/17/836099617.db2.gz YWLSWBIQKCLJPO-STQMWFEESA-N 0 3 271.361 0.696 20 5 CCBDHN COC(=O)CN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169032960 836108435 /nfs/dbraw/zinc/10/84/35/836108435.db2.gz AGGFTLMYRKRZEB-NEPJUHHUSA-N 0 3 285.344 0.222 20 5 CCBDHN COC(=O)[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C ZINC001169035079 836110595 /nfs/dbraw/zinc/11/05/95/836110595.db2.gz AFWKMAHLERAMKN-TUAOUCFPSA-N 0 3 285.344 0.221 20 5 CCBDHN CN(C)c1ccc(-n2nncc2CN)c([N+](=O)[O-])c1 ZINC001169312072 836191352 /nfs/dbraw/zinc/19/13/52/836191352.db2.gz LBRXMJZQIWBKLO-UHFFFAOYSA-N 0 3 262.273 0.700 20 5 CCBDHN CC(COC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)[N+](=O)[O-] ZINC000813107190 838680134 /nfs/dbraw/zinc/68/01/34/838680134.db2.gz METYFAVORORSEI-ONGXEEELSA-N 0 3 284.312 0.843 20 5 CCBDHN CN(CCCN1CCN(C)CC1)c1nn(C)cc1[N+](=O)[O-] ZINC001185405138 844413881 /nfs/dbraw/zinc/41/38/81/844413881.db2.gz YUIKKIFBTYZVSN-UHFFFAOYSA-N 0 3 296.375 0.402 20 5 CCBDHN Cc1nnnn1-c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000845577884 840063348 /nfs/dbraw/zinc/06/33/48/840063348.db2.gz ZGMMGZAGWOMDJA-MRVPVSSYSA-N 0 3 291.267 0.793 20 5 CCBDHN O=[N+]([O-])c1cccc(CNCCN2CCNC2=S)c1 ZINC001179837874 843058980 /nfs/dbraw/zinc/05/89/80/843058980.db2.gz COQHHAMLQRIOOW-UHFFFAOYSA-N 0 3 280.353 0.875 20 5 CCBDHN CN1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001337480434 921258082 /nfs/dbraw/zinc/25/80/82/921258082.db2.gz LYQBFSDCTCZPQO-SNVBAGLBSA-N 0 3 281.316 0.392 20 5 CCBDHN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001322682280 911911398 /nfs/dbraw/zinc/91/13/98/911911398.db2.gz GUGQRKDLMYMNCM-VXGBXAGGSA-N 0 3 292.339 0.995 20 5 CCBDHN O=C(N1CCCC[C@H]1CNCC[N+](=O)[O-])C(F)(F)F ZINC001336828031 921045779 /nfs/dbraw/zinc/04/57/79/921045779.db2.gz DDDZYZDNCWHVOV-QMMMGPOBSA-N 0 3 283.250 0.796 20 5 CCBDHN C[C@@H](O)C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090589182 349438435 /nfs/dbraw/zinc/43/84/35/349438435.db2.gz VRQUFQKXAGQJFL-NEPJUHHUSA-N 0 3 295.339 0.992 20 5 CCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCN(CC2CC2)C1 ZINC000108297063 349744332 /nfs/dbraw/zinc/74/43/32/349744332.db2.gz GYCSKJABZHAKKN-NSHDSACASA-N 0 3 293.327 0.392 20 5 CCBDHN CCCc1n[nH]c(C(=O)NCCN(C)CC)c1[N+](=O)[O-] ZINC000117982766 349895061 /nfs/dbraw/zinc/89/50/61/349895061.db2.gz YGGWAZRPTUPCHE-UHFFFAOYSA-N 0 3 283.332 0.952 20 5 CCBDHN Cn1cc(CN[C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])n1 ZINC000602624942 362719944 /nfs/dbraw/zinc/71/99/44/362719944.db2.gz PZIZROFBSXZFGD-MWLCHTKSSA-N 0 3 268.317 0.969 20 5 CCBDHN CNC(=O)[C@]1(C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602826148 362821917 /nfs/dbraw/zinc/82/19/17/362821917.db2.gz MQAPPMOCZMVGGL-CYBMUJFWSA-N 0 3 295.343 0.558 20 5 CCBDHN C[C@H](NC(=O)CN1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000037766596 348201735 /nfs/dbraw/zinc/20/17/35/348201735.db2.gz RKDURDCSMNLQPJ-NSHDSACASA-N 0 3 292.339 0.677 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1[C@@H](C)O ZINC000602894510 362869612 /nfs/dbraw/zinc/86/96/12/362869612.db2.gz ICCOPOGYBBAVFM-MWLCHTKSSA-N 0 3 268.317 0.945 20 5 CCBDHN C[C@@H]1C[C@H](O)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000412035488 233012538 /nfs/dbraw/zinc/01/25/38/233012538.db2.gz LJZQCLYGARHAEX-KOLCDFICSA-N 0 3 254.290 0.494 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCNC1CC1 ZINC000054267162 348548132 /nfs/dbraw/zinc/54/81/32/348548132.db2.gz DEIGOBWAUHVEDU-UHFFFAOYSA-N 0 3 299.352 0.934 20 5 CCBDHN Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000062053020 348662943 /nfs/dbraw/zinc/66/29/43/348662943.db2.gz RFEGXUZLMOZXIL-CYBMUJFWSA-N 0 3 291.311 0.645 20 5 CCBDHN CCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068421459 348809898 /nfs/dbraw/zinc/80/98/98/348809898.db2.gz ZPABOAJYEGWDKC-UHFFFAOYSA-N 0 3 295.343 0.700 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCN(C)C ZINC000080388555 349211332 /nfs/dbraw/zinc/21/13/32/349211332.db2.gz NOSFOVPLTWVEHY-UHFFFAOYSA-N 0 3 283.332 0.510 20 5 CCBDHN Cc1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000124333393 350095473 /nfs/dbraw/zinc/09/54/73/350095473.db2.gz TZLAXVWKGDBTDO-GFCCVEGCSA-N 0 3 292.339 0.618 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CC[C@H](C)O ZINC000135643248 350405524 /nfs/dbraw/zinc/40/55/24/350405524.db2.gz KVZUSHDBCIYRBF-VIFPVBQESA-N 0 3 256.306 0.802 20 5 CCBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000140273590 350450779 /nfs/dbraw/zinc/45/07/79/350450779.db2.gz XOSXOSDMIGTDOO-UHFFFAOYSA-N 0 3 253.262 0.142 20 5 CCBDHN COc1cc(OC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000164076038 350775973 /nfs/dbraw/zinc/77/59/73/350775973.db2.gz LUNYZEJSOCZEIT-SNVBAGLBSA-N 0 3 268.269 0.971 20 5 CCBDHN C[C@H]1CSCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173783454 351055361 /nfs/dbraw/zinc/05/53/61/351055361.db2.gz XYCIPXAFKAVRMM-ONGXEEELSA-N 0 3 286.357 0.590 20 5 CCBDHN CNC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174857253 351108092 /nfs/dbraw/zinc/10/80/92/351108092.db2.gz LPYMWWSDHPINCL-JTQLQIEISA-N 0 3 281.316 0.249 20 5 CCBDHN CCN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176188900 351159220 /nfs/dbraw/zinc/15/92/20/351159220.db2.gz DQMXBAYPGDTXDC-UHFFFAOYSA-N 0 3 253.306 0.429 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC(OCCO)CC2)n1 ZINC000339780900 215339030 /nfs/dbraw/zinc/33/90/30/215339030.db2.gz KHJZWUJHTKZXNM-UHFFFAOYSA-N 0 3 284.316 0.265 20 5 CCBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](F)CN1 ZINC000188324597 351588378 /nfs/dbraw/zinc/58/83/78/351588378.db2.gz QATISGIJLJUBKI-GXSJLCMTSA-N 0 3 267.260 0.911 20 5 CCBDHN C=Cn1cc(CNCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000194376813 351866833 /nfs/dbraw/zinc/86/68/33/351866833.db2.gz UQMGLYXYHQFURS-UHFFFAOYSA-N 0 3 262.273 0.878 20 5 CCBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245895160 352340907 /nfs/dbraw/zinc/34/09/07/352340907.db2.gz SHZSPWNOKGPLBU-DTWKUNHWSA-N 0 3 281.316 0.730 20 5 CCBDHN C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC000266244026 352692687 /nfs/dbraw/zinc/69/26/87/352692687.db2.gz LTGLDYZRTYTTEX-RKDXNWHRSA-N 0 3 280.332 0.886 20 5 CCBDHN CN(C)[C@@]1(CNc2ncc([N+](=O)[O-])c(N)n2)CCSC1 ZINC000267087943 352743628 /nfs/dbraw/zinc/74/36/28/352743628.db2.gz LZBMAMZQHFOZFT-LLVKDONJSA-N 0 3 298.372 0.816 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000268090550 352808188 /nfs/dbraw/zinc/80/81/88/352808188.db2.gz GBRAHPBDTHGVRK-SECBINFHSA-N 0 3 281.316 0.793 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000268090550 352808189 /nfs/dbraw/zinc/80/81/89/352808189.db2.gz GBRAHPBDTHGVRK-SECBINFHSA-N 0 3 281.316 0.793 20 5 CCBDHN CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000270550680 352946675 /nfs/dbraw/zinc/94/66/75/352946675.db2.gz GXDIJOCMSKNTEZ-PWSUYJOCSA-N 0 3 281.312 0.459 20 5 CCBDHN COCCNCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000152473744 188021691 /nfs/dbraw/zinc/02/16/91/188021691.db2.gz NJPMKBQMCAPTNP-UHFFFAOYSA-N 0 3 295.339 0.880 20 5 CCBDHN Cc1ccc(C(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000152598834 188031731 /nfs/dbraw/zinc/03/17/31/188031731.db2.gz PQVVHTZZPQEMCT-CQSZACIVSA-N 0 3 295.339 0.946 20 5 CCBDHN Cc1cccc(C(=O)NC[C@@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000153038364 188060917 /nfs/dbraw/zinc/06/09/17/188060917.db2.gz DZPGLVKXKLEPCS-CQSZACIVSA-N 0 3 295.339 0.946 20 5 CCBDHN CCN(CCO)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000274611544 353145613 /nfs/dbraw/zinc/14/56/13/353145613.db2.gz ZHBUXPJMOBQJCT-UHFFFAOYSA-N 0 3 296.327 0.221 20 5 CCBDHN CN1CC[C@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000292601338 198347105 /nfs/dbraw/zinc/34/71/05/198347105.db2.gz RURZTLYAQITEIC-ZDUSSCGKSA-N 0 3 293.327 0.346 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1O ZINC000286501116 353591201 /nfs/dbraw/zinc/59/12/01/353591201.db2.gz MIQMXELIELCSDC-GHMZBOCLSA-N 0 3 254.290 0.637 20 5 CCBDHN CO[C@H]1COC[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000290207927 353714597 /nfs/dbraw/zinc/71/45/97/353714597.db2.gz UVQILTXAQYRTKY-XQQFMLRXSA-N 0 3 282.296 0.632 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](CO)CC1 ZINC000293102597 353790926 /nfs/dbraw/zinc/79/09/26/353790926.db2.gz LFCXMEAUROOWBE-GFCCVEGCSA-N 0 3 295.339 0.851 20 5 CCBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000330558296 354411701 /nfs/dbraw/zinc/41/17/01/354411701.db2.gz GPGZOAPYXXHIKA-JTQLQIEISA-N 0 3 295.343 0.742 20 5 CCBDHN CCN1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000330571294 354419267 /nfs/dbraw/zinc/41/92/67/354419267.db2.gz MQMKGJHLVJOEGC-UHFFFAOYSA-N 0 3 281.316 0.542 20 5 CCBDHN C[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CCN1C ZINC000558750242 291071705 /nfs/dbraw/zinc/07/17/05/291071705.db2.gz XMYAUXBLZUYCPS-SFYZADRCSA-N 0 3 267.289 0.530 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@@H]1O ZINC000352669024 356048237 /nfs/dbraw/zinc/04/82/37/356048237.db2.gz WSINYNOPRSXAQW-RYUDHWBXSA-N 0 3 281.312 0.602 20 5 CCBDHN CCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000352679368 356051413 /nfs/dbraw/zinc/05/14/13/356051413.db2.gz ZJGZIAOFPUYEQC-WCQYABFASA-N 0 3 297.359 0.178 20 5 CCBDHN CC(C)[C@@H]1CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353024978 356141314 /nfs/dbraw/zinc/14/13/14/356141314.db2.gz JPBMITMUWPTSMG-RYUDHWBXSA-N 0 3 268.317 0.883 20 5 CCBDHN COC(=O)C[C@@]1(NCCn2cc([N+](=O)[O-])cn2)CCOC1 ZINC000362264164 138053094 /nfs/dbraw/zinc/05/30/94/138053094.db2.gz ZUXRGRJQTZSVOW-LBPRGKRZSA-N 0 3 298.299 0.103 20 5 CCBDHN CC[C@@H](CN1CCCC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000609833841 363518822 /nfs/dbraw/zinc/51/88/22/363518822.db2.gz YBWSCRNFLWSTEZ-NSHDSACASA-N 0 3 295.343 0.782 20 5 CCBDHN CC[C@H](CN1CCCC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000609833840 363519272 /nfs/dbraw/zinc/51/92/72/363519272.db2.gz YBWSCRNFLWSTEZ-LLVKDONJSA-N 0 3 295.343 0.782 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](N(C)C)[C@@H](O)C1 ZINC000359967440 356928774 /nfs/dbraw/zinc/92/87/74/356928774.db2.gz HNJBGRRPMKHZHQ-ZJUUUORDSA-N 0 3 283.332 0.231 20 5 CCBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])o1 ZINC000360108478 356948197 /nfs/dbraw/zinc/94/81/97/356948197.db2.gz WGHVKWAFCGHRSN-NXEZZACHSA-N 0 3 295.295 0.781 20 5 CCBDHN O=[N+]([O-])c1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000405283659 357823531 /nfs/dbraw/zinc/82/35/31/357823531.db2.gz WRJKHYRFYGHEMU-QWHCGFSZSA-N 0 3 295.314 0.985 20 5 CCBDHN Cc1nc(NC[C@@H]2CCCCN2CCO)ncc1[N+](=O)[O-] ZINC000450608533 236100359 /nfs/dbraw/zinc/10/03/59/236100359.db2.gz DPVVGJRAHPOQRV-NSHDSACASA-N 0 3 295.343 0.374 20 5 CCBDHN C[C@H]1C[C@@H](O)CN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000452067110 236215586 /nfs/dbraw/zinc/21/55/86/236215586.db2.gz HJWKSZDUSOOEQW-CMPLNLGQSA-N 0 3 281.312 0.459 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H]2C2CC2)c1 ZINC000453025487 236271486 /nfs/dbraw/zinc/27/14/86/236271486.db2.gz UEPMEHZWLUFKPM-RYUDHWBXSA-N 0 3 266.301 0.637 20 5 CCBDHN Cc1cccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000579853626 359055434 /nfs/dbraw/zinc/05/54/34/359055434.db2.gz WXGKKVUVZVNHIK-GHMZBOCLSA-N 0 3 290.323 0.651 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000588863805 359343357 /nfs/dbraw/zinc/34/33/57/359343357.db2.gz SYFZGFCROVVZLY-SNVBAGLBSA-N 0 3 267.285 0.247 20 5 CCBDHN O=C(N[C@@H](CO)CN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000588867221 359344619 /nfs/dbraw/zinc/34/46/19/359344619.db2.gz MHWOVHZHWCDOPR-LLVKDONJSA-N 0 3 293.323 0.781 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000590369836 359445030 /nfs/dbraw/zinc/44/50/30/359445030.db2.gz PMFOLCFVWZKEJP-JTQLQIEISA-N 0 3 297.311 0.012 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590445030 359468205 /nfs/dbraw/zinc/46/82/05/359468205.db2.gz PLCVKUKIJAJDHN-JOYOIKCWSA-N 0 3 290.323 0.953 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCN(C)C3)C2)n1 ZINC000590456413 359470484 /nfs/dbraw/zinc/47/04/84/359470484.db2.gz PDZRLLHYTZMNMT-ZDUSSCGKSA-N 0 3 293.327 0.496 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCOC1 ZINC000591756932 359653888 /nfs/dbraw/zinc/65/38/88/359653888.db2.gz HXTSAZBPHQCEQD-MNOVXSKESA-N 0 3 282.296 0.713 20 5 CCBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccncc1[N+](=O)[O-] ZINC000591985731 359719211 /nfs/dbraw/zinc/71/92/11/359719211.db2.gz QCOFQNDPTUKQRJ-JTQLQIEISA-N 0 3 293.327 0.546 20 5 CCBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])nc1 ZINC000591984385 359720082 /nfs/dbraw/zinc/72/00/82/359720082.db2.gz GEPAUVLMIUNNHE-SNVBAGLBSA-N 0 3 293.327 0.546 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@](C)(F)C1 ZINC000592491809 359856458 /nfs/dbraw/zinc/85/64/58/359856458.db2.gz JLRCLKWKXPCSDB-NSHDSACASA-N 0 3 271.296 0.462 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@H]1C(F)F ZINC000592488399 359854314 /nfs/dbraw/zinc/85/43/14/359854314.db2.gz DRBBSCJCODBWCC-ZETCQYMHSA-N 0 3 275.259 0.367 20 5 CCBDHN CN(C)CCN1CCN(c2sccc2[N+](=O)[O-])CC1=O ZINC000593486439 360097394 /nfs/dbraw/zinc/09/73/94/360097394.db2.gz XJHJNEMNKQIYQJ-UHFFFAOYSA-N 0 3 298.368 0.867 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H]2CNCCO2)c1 ZINC000594697999 360361332 /nfs/dbraw/zinc/36/13/32/360361332.db2.gz FZBFRBGGLLDGGQ-SNVBAGLBSA-N 0 3 296.279 0.749 20 5 CCBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000595120590 360440700 /nfs/dbraw/zinc/44/07/00/360440700.db2.gz BICCBYZZHVVYBG-VIFPVBQESA-N 0 3 287.341 0.789 20 5 CCBDHN Cn1c(C(=O)N2CC[C@@H](F)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000595260795 360464687 /nfs/dbraw/zinc/46/46/87/360464687.db2.gz LBPJZUPNIRIPDU-HTQZYQBOSA-N 0 3 270.264 0.445 20 5 CCBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCc1cn[nH]n1)CC2 ZINC000595422466 360526382 /nfs/dbraw/zinc/52/63/82/360526382.db2.gz HBNXVJBXRWLLLQ-UHFFFAOYSA-N 0 3 274.284 0.709 20 5 CCBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCc1c[nH]nn1)CC2 ZINC000595422466 360526385 /nfs/dbraw/zinc/52/63/85/360526385.db2.gz HBNXVJBXRWLLLQ-UHFFFAOYSA-N 0 3 274.284 0.709 20 5 CCBDHN O=C1CC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@H]2N1 ZINC000595735829 360634596 /nfs/dbraw/zinc/63/45/96/360634596.db2.gz DKVVKEGOUZAAAR-GHMZBOCLSA-N 0 3 293.327 0.392 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595830297 360671141 /nfs/dbraw/zinc/67/11/41/360671141.db2.gz JZBWCBIHTYWDHL-QWRGUYRKSA-N 0 3 266.301 0.760 20 5 CCBDHN COC[C@@](C)([NH3+])CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596127593 360805292 /nfs/dbraw/zinc/80/52/92/360805292.db2.gz AHCKDSPQDOJPQZ-JTQLQIEISA-N 0 3 256.262 0.471 20 5 CCBDHN CC[C@H]1CN(C)CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000597603200 361158454 /nfs/dbraw/zinc/15/84/54/361158454.db2.gz AOCBOCULYKWOTA-JTQLQIEISA-N 0 3 296.331 0.129 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)n1 ZINC000597925538 361284567 /nfs/dbraw/zinc/28/45/67/361284567.db2.gz WSADETMPOPANHB-VIFPVBQESA-N 0 3 295.343 0.931 20 5 CCBDHN CC(C)(C)N1CC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000597859332 361270902 /nfs/dbraw/zinc/27/09/02/361270902.db2.gz UPQZGRBTFWRUEI-JTQLQIEISA-N 0 3 295.343 0.780 20 5 CCBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(CC)C1 ZINC000598043275 361322725 /nfs/dbraw/zinc/32/27/25/361322725.db2.gz STRVKIJYQVEXQA-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN NC[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598916454 361531527 /nfs/dbraw/zinc/53/15/27/361531527.db2.gz YZLYOHSVEXKIML-LLVKDONJSA-N 0 3 292.295 0.387 20 5 CCBDHN Cc1cc(NCCN2CC[C@H](O)C2)ncc1[N+](=O)[O-] ZINC000599200176 361608382 /nfs/dbraw/zinc/60/83/82/361608382.db2.gz ZMIPTUWUYLMLJD-JTQLQIEISA-N 0 3 266.301 0.199 20 5 CCBDHN O=[N+]([O-])c1cccc(OCCN2C[C@@H](CO)[C@H](CO)C2)c1 ZINC000599531435 361728777 /nfs/dbraw/zinc/72/87/77/361728777.db2.gz XPVANYODTJTGBO-RYUDHWBXSA-N 0 3 296.323 0.506 20 5 CCBDHN N[C@H]1C[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565234233 291364547 /nfs/dbraw/zinc/36/45/47/291364547.db2.gz SHLZIZMBKRWJTO-OLZOCXBDSA-N 0 3 290.323 0.339 20 5 CCBDHN CCN1CCC(N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000330626255 203055598 /nfs/dbraw/zinc/05/55/98/203055598.db2.gz IREIWFMHDNZIQO-UHFFFAOYSA-N 0 3 295.343 0.734 20 5 CCBDHN C[C@H]1CCCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330657971 203088297 /nfs/dbraw/zinc/08/82/97/203088297.db2.gz OUNPKOSIOBHZPY-JTQLQIEISA-N 0 3 296.331 0.034 20 5 CCBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000515059752 249118710 /nfs/dbraw/zinc/11/87/10/249118710.db2.gz SATHWZHJSGCUDR-SSDOTTSWSA-N 0 3 274.302 0.005 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCNCC2)n1 ZINC000514857301 249108485 /nfs/dbraw/zinc/10/84/85/249108485.db2.gz LGEAEDRICKSDMA-UHFFFAOYSA-N 0 3 267.289 0.247 20 5 CCBDHN O=C1C[C@@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)CN1 ZINC000278980252 194239291 /nfs/dbraw/zinc/23/92/91/194239291.db2.gz YZGADIBMMAPJQU-LBPRGKRZSA-N 0 3 279.300 0.003 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCC[C@H]1O ZINC000246747004 285031333 /nfs/dbraw/zinc/03/13/33/285031333.db2.gz OLRGEPYIUYZVGP-WDEREUQCSA-N 0 3 268.317 0.884 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1CO ZINC000181588851 285164657 /nfs/dbraw/zinc/16/46/57/285164657.db2.gz AJWJEIZYPYKRBE-NEPJUHHUSA-N 0 3 296.323 0.791 20 5 CCBDHN CCN(CCO)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000183966282 388767289 /nfs/dbraw/zinc/76/72/89/388767289.db2.gz YQAKQZDWDRQSOJ-UHFFFAOYSA-N 0 3 299.302 0.778 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1O ZINC000186854262 388856973 /nfs/dbraw/zinc/85/69/73/388856973.db2.gz QWZVNSIUCGSVET-JQWIXIFHSA-N 0 3 281.312 0.459 20 5 CCBDHN CCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000044924535 388873022 /nfs/dbraw/zinc/87/30/22/388873022.db2.gz NZDFQNJZLGLDHU-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN CN1CC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000074864771 388982929 /nfs/dbraw/zinc/98/29/29/388982929.db2.gz JIWHUVXRETYMJJ-SNVBAGLBSA-N 0 3 299.352 0.825 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1CO ZINC000190368179 388989663 /nfs/dbraw/zinc/98/96/63/388989663.db2.gz RWLUDGWETQCAEC-ZYHUDNBSSA-N 0 3 281.312 0.459 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000195314375 389123071 /nfs/dbraw/zinc/12/30/71/389123071.db2.gz UBRCJSRTMRNUJD-JTQLQIEISA-N 0 3 281.316 0.392 20 5 CCBDHN CO[C@@]1(C)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000330994341 389276177 /nfs/dbraw/zinc/27/61/77/389276177.db2.gz NVUPVRBPUCEMOB-STQMWFEESA-N 0 3 298.343 0.653 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@H]1CCCN1C ZINC000421699226 389370993 /nfs/dbraw/zinc/37/09/93/389370993.db2.gz APKZMGWVGXCOTJ-LLVKDONJSA-N 0 3 295.343 0.652 20 5 CCBDHN CN1CC[C@@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000269101312 389402450 /nfs/dbraw/zinc/40/24/50/389402450.db2.gz RXBMEWPFBLBJLI-NXEZZACHSA-N 0 3 292.343 0.888 20 5 CCBDHN COc1ccc(CNC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415097499 389658840 /nfs/dbraw/zinc/65/88/40/389658840.db2.gz SPQSWOQREOZNHV-LLVKDONJSA-N 0 3 281.312 0.681 20 5 CCBDHN CN1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000416498432 389748711 /nfs/dbraw/zinc/74/87/11/389748711.db2.gz XGERRLWGJLGEKI-SNVBAGLBSA-N 0 3 299.352 0.825 20 5 CCBDHN CC1(C)CCCN(CCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000443969833 389887204 /nfs/dbraw/zinc/88/72/04/389887204.db2.gz SGIKXBXRHHATQP-UHFFFAOYSA-N 0 3 294.359 0.753 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000447257333 389950014 /nfs/dbraw/zinc/95/00/14/389950014.db2.gz RGCYWSRTFMADIZ-SECBINFHSA-N 0 3 287.341 0.919 20 5 CCBDHN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCCC1 ZINC000540796429 390223929 /nfs/dbraw/zinc/22/39/29/390223929.db2.gz YGYRJCDHGLTHCT-VIFPVBQESA-N 0 3 281.316 0.542 20 5 CCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])o1 ZINC000554686050 390439622 /nfs/dbraw/zinc/43/96/22/390439622.db2.gz YWIULSJWVDGZSE-ZDUSSCGKSA-N 0 3 295.295 0.374 20 5 CCBDHN C[C@@H]1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000524720660 390651961 /nfs/dbraw/zinc/65/19/61/390651961.db2.gz JTPNAHUGDWTRDO-SNVBAGLBSA-N 0 3 281.316 0.249 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1C ZINC000262849476 131267236 /nfs/dbraw/zinc/26/72/36/131267236.db2.gz ZHIVVTUWXIGOPF-BDAKNGLRSA-N 0 3 278.312 0.999 20 5 CCBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000357058889 144055031 /nfs/dbraw/zinc/05/50/31/144055031.db2.gz QYQWMLPHKKDGRG-UHFFFAOYSA-N 0 3 299.331 0.026 20 5 CCBDHN C[C@@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000357497106 144096753 /nfs/dbraw/zinc/09/67/53/144096753.db2.gz ABJDZGYJFUVSPX-RKDXNWHRSA-N 0 3 293.327 0.983 20 5 CCBDHN CN(C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000005509003 170105711 /nfs/dbraw/zinc/10/57/11/170105711.db2.gz WHFIOSWJJNITGZ-UHFFFAOYSA-N 0 3 267.285 0.651 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](CO)C1 ZINC000049774040 411677017 /nfs/dbraw/zinc/67/70/17/411677017.db2.gz IAEJVLNYDNRMQW-LLVKDONJSA-N 0 3 268.317 0.804 20 5 CCBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCNCC1 ZINC000238171023 275015997 /nfs/dbraw/zinc/01/59/97/275015997.db2.gz UQTJNXCOIAJQQM-UHFFFAOYSA-N 0 3 289.295 0.907 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CCO)C1CC1 ZINC000181550167 275040203 /nfs/dbraw/zinc/04/02/03/275040203.db2.gz VABCAABUWSLSFZ-LBPRGKRZSA-N 0 3 296.323 0.791 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@@H](O)CN2CCCCC2)nc1 ZINC000273662678 275041216 /nfs/dbraw/zinc/04/12/16/275041216.db2.gz WFYQGWGUWNTPSV-LLVKDONJSA-N 0 3 281.316 0.644 20 5 CCBDHN CN1CC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000272412330 277134610 /nfs/dbraw/zinc/13/46/10/277134610.db2.gz JDANCLRREGWPBD-VIFPVBQESA-N 0 3 278.312 0.859 20 5 CCBDHN C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000237492090 278694100 /nfs/dbraw/zinc/69/41/00/278694100.db2.gz UIWACULYUZCSQI-RNFRBKRXSA-N 0 3 253.262 0.140 20 5 CCBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCNCC1 ZINC000019232038 280259573 /nfs/dbraw/zinc/25/95/73/280259573.db2.gz NWZAROVGGKADCN-UHFFFAOYSA-N 0 3 299.352 0.887 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](O)C1 ZINC000181769599 280375868 /nfs/dbraw/zinc/37/58/68/280375868.db2.gz LJVHSMZCIHFLDE-MNOVXSKESA-N 0 3 282.296 0.401 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)CN(C)C ZINC000286885458 293395317 /nfs/dbraw/zinc/39/53/17/293395317.db2.gz FTCISFSQFOEMHF-VIFPVBQESA-N 0 3 283.332 0.556 20 5 CCBDHN Cc1nn(CCC(=O)NC[C@@H](C)N(C)C)c(C)c1[N+](=O)[O-] ZINC000263954801 293799735 /nfs/dbraw/zinc/79/97/35/293799735.db2.gz BXHBRXUQJXEZIV-SECBINFHSA-N 0 3 297.359 0.865 20 5 CCBDHN Cc1ccnc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000517758697 302272350 /nfs/dbraw/zinc/27/23/50/302272350.db2.gz CGXLJNROCWQXBM-ZJUUUORDSA-N 0 3 291.311 0.046 20 5 CCBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000574181354 327298676 /nfs/dbraw/zinc/29/86/76/327298676.db2.gz ARCNXULCOLZWLM-ZDUSSCGKSA-N 0 3 296.327 0.422 20 5 CCBDHN COCC(C)(C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000179208388 335481009 /nfs/dbraw/zinc/48/10/09/335481009.db2.gz UCMOUPWONURPEA-UHFFFAOYSA-N 0 3 269.301 0.771 20 5 CCBDHN COCCN(C)C[C@@H](O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000380765658 336027114 /nfs/dbraw/zinc/02/71/14/336027114.db2.gz YRVLOELXHVIAPO-LLVKDONJSA-N 0 3 286.332 0.347 20 5 CCBDHN CC[C@@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000581425559 336075263 /nfs/dbraw/zinc/07/52/63/336075263.db2.gz IVKPIFQTPKHMDD-LLVKDONJSA-N 0 3 267.333 0.817 20 5 CCBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC000384632870 336128052 /nfs/dbraw/zinc/12/80/52/336128052.db2.gz QKWDTBUHRACFJO-FJOGCWAESA-N 0 3 291.307 0.713 20 5 CCBDHN C[C@H]1CCCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000055377820 524089767 /nfs/dbraw/zinc/08/97/67/524089767.db2.gz SOOMPAYOPMWLLD-NSHDSACASA-N 0 3 295.343 0.639 20 5 CCBDHN CN1CC[C@](O)(CNCc2ccccc2[N+](=O)[O-])C1 ZINC000358119610 536481820 /nfs/dbraw/zinc/48/18/20/536481820.db2.gz OVJLOZWVDUPMJK-ZDUSSCGKSA-N 0 3 265.313 0.751 20 5 CCBDHN CC[C@H]1[C@@H](CO)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000451257221 529339260 /nfs/dbraw/zinc/33/92/60/529339260.db2.gz PUTBOEAOWIEYNH-PWSUYJOCSA-N 0 3 268.317 0.884 20 5 CCBDHN CC1(C)[C@@H](O)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000361402225 535028252 /nfs/dbraw/zinc/02/82/52/535028252.db2.gz HGBLRGPNEMCVGC-JTQLQIEISA-N 0 3 254.290 0.637 20 5 CCBDHN C[C@@H](NC[C@@H](O)CN(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595415 581117699 /nfs/dbraw/zinc/11/76/99/581117699.db2.gz SXHGBNBMHLXHNN-MWLCHTKSSA-N 0 3 282.344 0.750 20 5 CCBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000794852562 581389628 /nfs/dbraw/zinc/38/96/28/581389628.db2.gz KJRMCHJPYFMCIY-DGAVXFQQSA-N 0 3 278.308 0.798 20 5 CCBDHN CC[C@H](CO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000794916230 581390805 /nfs/dbraw/zinc/39/08/05/581390805.db2.gz MPVYZUIXUCBOIO-LLVKDONJSA-N 0 3 293.323 0.844 20 5 CCBDHN CCN(CC)CCOC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000772215433 581846867 /nfs/dbraw/zinc/84/68/67/581846867.db2.gz RBYQMAFNFVLEIG-UHFFFAOYSA-N 0 3 297.311 0.642 20 5 CCBDHN COc1ccc(C[C@@](C)(CO)NCC[N+](=O)[O-])cc1 ZINC000933431607 617262969 /nfs/dbraw/zinc/26/29/69/617262969.db2.gz WZLFISDJSJLUSO-ZDUSSCGKSA-N 0 3 268.313 0.855 20 5 CCBDHN CCN1CCCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000892425824 615122446 /nfs/dbraw/zinc/12/24/46/615122446.db2.gz PWQGYBKJMCRYOW-UHFFFAOYSA-N 0 3 253.306 0.860 20 5 CCBDHN CCN1CCN([C@@H](C)CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891830192 615161954 /nfs/dbraw/zinc/16/19/54/615161954.db2.gz VYHFXGHCLLZNTM-NSHDSACASA-N 0 3 296.375 0.766 20 5 CCBDHN CN(C)C[C@@H]1NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000927172541 615935086 /nfs/dbraw/zinc/93/50/86/615935086.db2.gz AYBAPMVDOPTYEW-JTQLQIEISA-N 0 3 278.268 0.581 20 5 CCBDHN CN(CCO)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000884825170 616102519 /nfs/dbraw/zinc/10/25/19/616102519.db2.gz JBXKJIVKQABVBF-UHFFFAOYSA-N 0 3 290.323 0.901 20 5 CCBDHN CN(CCO)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000884826017 616108711 /nfs/dbraw/zinc/10/87/11/616108711.db2.gz CYXKUBUQXSRHAI-UHFFFAOYSA-N 0 3 258.253 0.465 20 5 CCBDHN CN(CCO)CCNc1ncc([N+](=O)[O-])cc1F ZINC000884825446 616108833 /nfs/dbraw/zinc/10/88/33/616108833.db2.gz XKZFMWLHWJKFLB-UHFFFAOYSA-N 0 3 258.253 0.465 20 5 CCBDHN COCCN1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823186315 616414303 /nfs/dbraw/zinc/41/43/03/616414303.db2.gz VTLYAWDYNQAGFK-NSHDSACASA-N 0 3 287.360 0.659 20 5 CCBDHN COC(=O)CSCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113761 616623822 /nfs/dbraw/zinc/62/38/22/616623822.db2.gz UXMCQYKYBGXRTR-ZETCQYMHSA-N 0 3 265.287 0.491 20 5 CCBDHN CO[C@@H]1CC[C@H]1N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000934114235 616713629 /nfs/dbraw/zinc/71/36/29/616713629.db2.gz GVNGGBDKJKWEEW-GHMZBOCLSA-N 0 3 254.290 0.901 20 5 CCBDHN CC(COC(=O)c1cc2n(n1)CCCO2)[N+](=O)[O-] ZINC000813102150 624647549 /nfs/dbraw/zinc/64/75/49/624647549.db2.gz OKWHUYXYASUHOL-SSDOTTSWSA-N 0 3 255.230 0.488 20 5 CCBDHN COC[C@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229172275 637101642 /nfs/dbraw/zinc/10/16/42/637101642.db2.gz GWNNARMPAMFTGB-JQWIXIFHSA-N 0 3 270.285 0.225 20 5 CCBDHN Cc1cccc(NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839686565 640349216 /nfs/dbraw/zinc/34/92/16/640349216.db2.gz QTKUWQGQGSXTSD-NXEZZACHSA-N 0 3 264.285 0.583 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)[N+](=O)[O-] ZINC000813108199 641023362 /nfs/dbraw/zinc/02/33/62/641023362.db2.gz VKOUOWYRTDURDQ-NXEZZACHSA-N 0 3 284.312 0.986 20 5 CCBDHN CC(COC(=O)c1ccc(NC(N)=O)cc1)[N+](=O)[O-] ZINC000813106875 641023383 /nfs/dbraw/zinc/02/33/83/641023383.db2.gz HCMGOOYQLPTNED-ZETCQYMHSA-N 0 3 267.241 0.999 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107433 641023592 /nfs/dbraw/zinc/02/35/92/641023592.db2.gz QKILRAZXKCNMMY-SSDOTTSWSA-N 0 3 286.244 0.698 20 5 CCBDHN Cc1c(CCC(=O)OCC(C)[N+](=O)[O-])cnn1C ZINC000813107094 641023834 /nfs/dbraw/zinc/02/38/34/641023834.db2.gz JPCYOTUNHHAPOG-QMMMGPOBSA-N 0 3 255.274 0.870 20 5 CCBDHN O=C1OC[C@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000860165744 644778004 /nfs/dbraw/zinc/77/80/04/644778004.db2.gz YWTFGYWHSLJSQX-RAIGVLPGSA-N 0 3 292.291 0.733 20 5 CCBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCN(C)CCO ZINC000925002385 648395998 /nfs/dbraw/zinc/39/59/98/648395998.db2.gz IGMUNYLCCCQFIO-UHFFFAOYSA-N 0 3 299.302 0.696 20 5 CCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc([O-])cc(F)c1 ZINC001233820655 806125934 /nfs/dbraw/zinc/12/59/34/806125934.db2.gz SLXFQQLENCOEBY-LLVKDONJSA-O 0 3 272.296 0.894 20 5 CCBDHN NC(=O)CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156011688 801093172 /nfs/dbraw/zinc/09/31/72/801093172.db2.gz AVSPULJITAVEIU-UHFFFAOYSA-N 0 3 294.311 0.066 20 5 CCBDHN Cc1cc(CN)nn1-c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001156042382 801100555 /nfs/dbraw/zinc/10/05/55/801100555.db2.gz ICRUIFJCEKLCLS-UHFFFAOYSA-N 0 3 263.257 0.489 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1N(C)S(=O)(=O)CCN ZINC001156231666 801124698 /nfs/dbraw/zinc/12/46/98/801124698.db2.gz LVEAUXLZLPECSQ-UHFFFAOYSA-N 0 3 274.302 0.023 20 5 CCBDHN COc1cnc(NC(=N)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001157915126 801519043 /nfs/dbraw/zinc/51/90/43/801519043.db2.gz QOGXWAOHWKVVEP-UHFFFAOYSA-N 0 3 294.315 0.592 20 5 CCBDHN COc1nc(-n2ccc([C@@H](C)N)n2)nc(OC)c1[N+](=O)[O-] ZINC001158349531 801623810 /nfs/dbraw/zinc/62/38/10/801623810.db2.gz SFLMOCVVNQKBNN-ZCFIWIBFSA-N 0 3 294.271 0.607 20 5 CCBDHN Cc1ncc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CNCCO2)n1 ZINC001159495110 801820949 /nfs/dbraw/zinc/82/09/49/801820949.db2.gz CVSQMXFKWKPURL-OIBJUYFYSA-N 0 3 267.289 0.482 20 5 CCBDHN Cc1cc(CN)nn1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001163977998 802643718 /nfs/dbraw/zinc/64/37/18/802643718.db2.gz NHHAJGKKPUIDRZ-UHFFFAOYSA-N 0 3 268.664 0.991 20 5 CCBDHN Cc1cc(CN)nn1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001163980066 802643777 /nfs/dbraw/zinc/64/37/77/802643777.db2.gz NIRUTCISHDUMCO-UHFFFAOYSA-N 0 3 273.256 0.819 20 5 CCBDHN COc1cc(-n2nc(CN)cc2C)cnc1[N+](=O)[O-] ZINC001163986167 802645621 /nfs/dbraw/zinc/64/56/21/802645621.db2.gz WFZSEKSSDFVJAM-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN Cc1cnc(N(C)S(=O)(=O)CCN)cc1[N+](=O)[O-] ZINC001164296617 802700887 /nfs/dbraw/zinc/70/08/87/802700887.db2.gz HIDVRYOYWKULMD-UHFFFAOYSA-N 0 3 274.302 0.023 20 5 CCBDHN COc1cccc(N(C)S(=O)(=O)CCN)c1[N+](=O)[O-] ZINC001164296721 802711095 /nfs/dbraw/zinc/71/10/95/802711095.db2.gz MVCDGIBMKCNYFM-UHFFFAOYSA-N 0 3 289.313 0.328 20 5 CCBDHN Cc1ncc([N+](=O)[O-])c(-n2cnc3c2CNCC3)n1 ZINC001164313571 802719099 /nfs/dbraw/zinc/71/90/99/802719099.db2.gz LOEAZRGTXMTPLP-UHFFFAOYSA-N 0 3 260.257 0.525 20 5 CCBDHN Cc1nc(N2CC[C@@H]3NCCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165269585 802808734 /nfs/dbraw/zinc/80/87/34/802808734.db2.gz NQGRIACTGGHGBC-JQWIXIFHSA-N 0 3 278.312 0.865 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1N(C1CNC1)S(C)(=O)=O ZINC001166967578 803000560 /nfs/dbraw/zinc/00/05/60/803000560.db2.gz PWEXPDMLDSBIGE-UHFFFAOYSA-N 0 3 286.313 0.036 20 5 CCBDHN CN(c1ncc(Cl)cc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001156231259 836040356 /nfs/dbraw/zinc/04/03/56/836040356.db2.gz BVFAGKFYTJBSKJ-UHFFFAOYSA-N 0 3 294.720 0.368 20 5 CCBDHN CCOC(=O)CN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005684 836095036 /nfs/dbraw/zinc/09/50/36/836095036.db2.gz CGNGHXCXGXYONH-CHWSQXEVSA-N 0 3 299.371 0.613 20 5 CCBDHN CCOC(=O)CN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005689 836095649 /nfs/dbraw/zinc/09/56/49/836095649.db2.gz CGNGHXCXGXYONH-STQMWFEESA-N 0 3 299.371 0.613 20 5 CCBDHN COc1ccc(-n2nncc2CN)nc1[N+](=O)[O-] ZINC001169304458 836205877 /nfs/dbraw/zinc/20/58/77/836205877.db2.gz VOTHWCQMKDCMMU-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN CCOCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835855 836935964 /nfs/dbraw/zinc/93/59/64/836935964.db2.gz QYGFVVJNJJVCHT-VXGBXAGGSA-N 0 3 285.344 0.222 20 5 CCBDHN C[C@@H](Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-])[C@H]1CNCCO1 ZINC001170562314 838106863 /nfs/dbraw/zinc/10/68/63/838106863.db2.gz IEHAIIIYYVVUDU-VXNVDRBHSA-N 0 3 286.263 0.156 20 5 CCBDHN COc1ccc([N+](=O)[O-])nc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170567440 838122240 /nfs/dbraw/zinc/12/22/40/838122240.db2.gz JUSREZQQRRQNDD-WPRPVWTQSA-N 0 3 282.300 0.787 20 5 CCBDHN CNc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1CNCCO1 ZINC001170566728 838128258 /nfs/dbraw/zinc/12/82/58/838128258.db2.gz AZEUONPWJNFYRR-KCJUWKMLSA-N 0 3 281.316 0.820 20 5 CCBDHN CC(COC(=O)c1cc(C(N)=O)cs1)[N+](=O)[O-] ZINC000813100899 838676301 /nfs/dbraw/zinc/67/63/01/838676301.db2.gz XUQROKFZOZGEFY-YFKPBYRVSA-N 0 3 258.255 0.669 20 5 CCBDHN CCC1([N-]c2nc(C)c([N+](=O)[O-])c(OC)n2)C[NH2+]C1 ZINC001168580674 897670094 /nfs/dbraw/zinc/67/00/94/897670094.db2.gz MJZIKHBZZKLBSJ-UHFFFAOYSA-N 0 3 267.289 0.866 20 5 CCBDHN CC[N@@H+]1CC[C@@H]1CNC(=O)c1[n-]nc([N+](=O)[O-])c1Cl ZINC001303018568 908059715 /nfs/dbraw/zinc/05/97/15/908059715.db2.gz DDHRLJRKAZXCTM-ZCFIWIBFSA-N 0 3 287.707 0.795 20 5 CCBDHN CC[N@H+]1CC[C@@H]1CNC(=O)c1[n-]nc([N+](=O)[O-])c1Cl ZINC001303018568 908059723 /nfs/dbraw/zinc/05/97/23/908059723.db2.gz DDHRLJRKAZXCTM-ZCFIWIBFSA-N 0 3 287.707 0.795 20 5 CCBDHN CN(C)C(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001308108748 908381366 /nfs/dbraw/zinc/38/13/66/908381366.db2.gz LHBMSGLZAQXJTQ-NSHDSACASA-N 0 3 295.343 0.592 20 5 CCBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1ccc([N+](=O)[O-])s1 ZINC001340613816 922141186 /nfs/dbraw/zinc/14/11/86/922141186.db2.gz GTLPSZQNDZMWNH-ZETCQYMHSA-N 0 3 283.309 0.517 20 5 CCBDHN C[C@H](NC(=O)[C@H]1CNCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC001340994597 922310991 /nfs/dbraw/zinc/31/09/91/922310991.db2.gz IULJWJXPJPTHPE-GXFFZTMASA-N 0 3 292.339 0.676 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC001341748789 922655958 /nfs/dbraw/zinc/65/59/58/922655958.db2.gz UEVGRPFIMBQILS-RKDXNWHRSA-N 0 3 281.316 0.309 20 5 CCBDHN Cc1ccc(S(=O)(=O)NC2CNC2)cc1[N+](=O)[O-] ZINC000090289311 349435540 /nfs/dbraw/zinc/43/55/40/349435540.db2.gz QBFXXEBZKYZMRD-UHFFFAOYSA-N 0 3 271.298 0.153 20 5 CCBDHN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](C)O ZINC000090529847 349439171 /nfs/dbraw/zinc/43/91/71/349439171.db2.gz MFBDJZLKIFXJCH-NSHDSACASA-N 0 3 283.328 0.848 20 5 CCBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCN(C)CC1 ZINC000599985830 361846343 /nfs/dbraw/zinc/84/63/43/361846343.db2.gz KPTAUMMDPHLWKH-UHFFFAOYSA-N 0 3 295.343 0.734 20 5 CCBDHN CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000439480389 529395364 /nfs/dbraw/zinc/39/53/64/529395364.db2.gz CVRKDFCZSCIDKW-QWHCGFSZSA-N 0 3 298.343 0.653 20 5 CCBDHN Nc1nc(N[C@H]2CCCN(CCCO)C2)ncc1[N+](=O)[O-] ZINC000294988538 199287098 /nfs/dbraw/zinc/28/70/98/199287098.db2.gz PZZJJUXWOCWSME-VIFPVBQESA-N 0 3 296.331 0.226 20 5 CCBDHN Cc1cc(S(=O)(=O)N(C)C2CNC2)c([N+](=O)[O-])s1 ZINC000601341853 362235377 /nfs/dbraw/zinc/23/53/77/362235377.db2.gz KZNPAKUJZQABRO-UHFFFAOYSA-N 0 3 291.354 0.557 20 5 CCBDHN CN1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413239747 529800990 /nfs/dbraw/zinc/80/09/90/529800990.db2.gz UNKJEDQGCIJYRU-LLVKDONJSA-N 0 3 270.264 0.607 20 5 CCBDHN CNC(=O)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058307 529864964 /nfs/dbraw/zinc/86/49/64/529864964.db2.gz IAAXOZPPWKZRJX-SECBINFHSA-N 0 3 251.286 0.861 20 5 CCBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC000157364304 290710740 /nfs/dbraw/zinc/71/07/40/290710740.db2.gz QKWDTBUHRACFJO-BTDICHCPSA-N 0 3 291.307 0.713 20 5 CCBDHN COc1ccc(CNCCC(N)=O)cc1[N+](=O)[O-] ZINC000036747304 348169319 /nfs/dbraw/zinc/16/93/19/348169319.db2.gz CHJBXHLJSTXBNE-UHFFFAOYSA-N 0 3 253.258 0.568 20 5 CCBDHN Cc1ncc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000040997944 348246540 /nfs/dbraw/zinc/24/65/40/348246540.db2.gz BDKCJYYYEUCVOD-SNVBAGLBSA-N 0 3 297.340 0.707 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H]1COCCO1 ZINC000602886277 362866492 /nfs/dbraw/zinc/86/64/92/362866492.db2.gz BCAJJUZBAHKWOX-LLVKDONJSA-N 0 3 284.316 0.447 20 5 CCBDHN C[C@]1(CO)C[C@@H](O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000602906763 362880433 /nfs/dbraw/zinc/88/04/33/362880433.db2.gz KBEMAIYWHCQPFD-TZMCWYRMSA-N 0 3 296.323 0.791 20 5 CCBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](CO)C1 ZINC000602930328 362892627 /nfs/dbraw/zinc/89/26/27/362892627.db2.gz DLSQBFXYPLJDFY-MNOVXSKESA-N 0 3 268.317 0.884 20 5 CCBDHN CC1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000046955807 348367013 /nfs/dbraw/zinc/36/70/13/348367013.db2.gz MMHKVJUNOYDLQQ-UHFFFAOYSA-N 0 3 295.343 0.639 20 5 CCBDHN CO[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000602961535 362909262 /nfs/dbraw/zinc/90/92/62/362909262.db2.gz BJPKTFAUTCRHGZ-DGCLKSJQSA-N 0 3 298.343 0.571 20 5 CCBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CN2CCC1CC2 ZINC000347916536 137364017 /nfs/dbraw/zinc/36/40/17/137364017.db2.gz AHXMJMDTFJKYRQ-LLVKDONJSA-N 0 3 293.327 0.344 20 5 CCBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NCCNC2CC2)cc1 ZINC000054266983 348547394 /nfs/dbraw/zinc/54/73/94/348547394.db2.gz YFUMWOQZRRVDBQ-UHFFFAOYSA-N 0 3 299.352 0.766 20 5 CCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(C2CC2)C1 ZINC000057555065 348611518 /nfs/dbraw/zinc/61/15/18/348611518.db2.gz QZVXCIFGCXYAGE-SNVBAGLBSA-N 0 3 293.327 0.534 20 5 CCBDHN COc1ccc(CNC(=O)C(C)(C)N)cc1[N+](=O)[O-] ZINC000083494620 349306740 /nfs/dbraw/zinc/30/67/40/349306740.db2.gz VQUXZJXHMXNKBS-UHFFFAOYSA-N 0 3 267.285 0.957 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000135535600 350401022 /nfs/dbraw/zinc/40/10/22/350401022.db2.gz XUWONJZUSLHRJT-RYUDHWBXSA-N 0 3 298.368 0.998 20 5 CCBDHN O=C(CCN1C[C@H]2C[C@@]2(O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000603087748 362956094 /nfs/dbraw/zinc/95/60/94/362956094.db2.gz OOCMPZSZIWDDRF-QMTHXVAHSA-N 0 3 291.307 0.990 20 5 CCBDHN CCN1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000171874162 350939948 /nfs/dbraw/zinc/93/99/48/350939948.db2.gz ULAYIDUWWLGDTQ-NSHDSACASA-N 0 3 295.343 0.782 20 5 CCBDHN CN(C)C(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176195026 351160286 /nfs/dbraw/zinc/16/02/86/351160286.db2.gz VEGJYBGFWDMJLD-UHFFFAOYSA-N 0 3 295.343 0.592 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC(CO)CC2)n1 ZINC000176209719 351160928 /nfs/dbraw/zinc/16/09/28/351160928.db2.gz LBCIXWLJYYCILI-UHFFFAOYSA-N 0 3 254.290 0.496 20 5 CCBDHN COC[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000178883083 351251666 /nfs/dbraw/zinc/25/16/66/351251666.db2.gz OCLWAJVIAJVVDN-JQWIXIFHSA-N 0 3 296.327 0.483 20 5 CCBDHN CO[C@H](CN)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000227345904 352045148 /nfs/dbraw/zinc/04/51/48/352045148.db2.gz ASHDIUPEEOXIOE-SNVBAGLBSA-N 0 3 253.258 0.815 20 5 CCBDHN C[C@H](O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000245407706 352320602 /nfs/dbraw/zinc/32/06/02/352320602.db2.gz CLJALXWTENJOEW-RYUDHWBXSA-N 0 3 297.359 0.178 20 5 CCBDHN CCN1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000264806709 352599059 /nfs/dbraw/zinc/59/90/59/352599059.db2.gz VCXJPJGNVCHABZ-UHFFFAOYSA-N 0 3 281.316 0.794 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000267903759 352797191 /nfs/dbraw/zinc/79/71/91/352797191.db2.gz AYHWLXGXGRUWRY-CBAPKCEASA-N 0 3 293.327 0.981 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000270732413 352974732 /nfs/dbraw/zinc/97/47/32/352974732.db2.gz GTLAWOKERCQTFG-VXNVDRBHSA-N 0 3 279.300 0.530 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270732413 352974736 /nfs/dbraw/zinc/97/47/36/352974736.db2.gz GTLAWOKERCQTFG-VXNVDRBHSA-N 0 3 279.300 0.530 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000270732407 352975254 /nfs/dbraw/zinc/97/52/54/352975254.db2.gz GTLAWOKERCQTFG-APPZFPTMSA-N 0 3 279.300 0.530 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270732407 352975255 /nfs/dbraw/zinc/97/52/55/352975255.db2.gz GTLAWOKERCQTFG-APPZFPTMSA-N 0 3 279.300 0.530 20 5 CCBDHN CN(C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000270643844 352962555 /nfs/dbraw/zinc/96/25/55/352962555.db2.gz JZCWKDBNFCGGKB-UHFFFAOYSA-N 0 3 280.328 0.998 20 5 CCBDHN CN(CCNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CC1 ZINC000270671565 352966095 /nfs/dbraw/zinc/96/60/95/352966095.db2.gz PVSLMRQBMAUJJU-UHFFFAOYSA-N 0 3 253.262 0.142 20 5 CCBDHN CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000270887870 352999846 /nfs/dbraw/zinc/99/98/46/352999846.db2.gz KXOWXZIMNPOOFN-KOLCDFICSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1 ZINC000272579095 353076125 /nfs/dbraw/zinc/07/61/25/353076125.db2.gz OALKFOUSKRTYJS-RKDXNWHRSA-N 0 3 267.289 0.000 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000152604590 188031915 /nfs/dbraw/zinc/03/19/15/188031915.db2.gz VRMNVVQCHFDCJY-AWEZNQCLSA-N 0 3 295.339 0.566 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000287251888 353634642 /nfs/dbraw/zinc/63/46/42/353634642.db2.gz QYDDHSBRVUBVQJ-QMMMGPOBSA-N 0 3 266.301 0.857 20 5 CCBDHN CC[C@H](CO)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000304478696 354117666 /nfs/dbraw/zinc/11/76/66/354117666.db2.gz AJILLXOZKKFSAK-GFCCVEGCSA-N 0 3 297.359 0.180 20 5 CCBDHN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531898154 358487988 /nfs/dbraw/zinc/48/79/88/358487988.db2.gz XBHMAIOUDILUCM-SECBINFHSA-N 0 3 264.285 0.671 20 5 CCBDHN Nc1c(C(=O)NC[C@@H]2CNCCO2)cc(F)cc1[N+](=O)[O-] ZINC000423986965 235132126 /nfs/dbraw/zinc/13/21/26/235132126.db2.gz GYQBDGLKJFNHRJ-QMMMGPOBSA-N 0 3 298.274 0.034 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CNCCO1 ZINC000424011039 235137611 /nfs/dbraw/zinc/13/76/11/235137611.db2.gz YLGOTHRCIFMIQJ-NSHDSACASA-N 0 3 293.323 0.930 20 5 CCBDHN CN1CCN(CCCn2cccc([N+](=O)[O-])c2=O)CC1 ZINC000339113852 355489669 /nfs/dbraw/zinc/48/96/69/355489669.db2.gz JKRLHGMBKNJESM-UHFFFAOYSA-N 0 3 280.328 0.394 20 5 CCBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000341112642 355608459 /nfs/dbraw/zinc/60/84/59/355608459.db2.gz XZGOBJTZBABYQE-NXEZZACHSA-N 0 3 294.359 0.894 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC1(O)CCC1 ZINC000353473773 356231995 /nfs/dbraw/zinc/23/19/95/356231995.db2.gz VGJQVVOJTLXOOY-UHFFFAOYSA-N 0 3 254.290 0.638 20 5 CCBDHN COC(=O)COc1ccc(CN[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000353758537 356288356 /nfs/dbraw/zinc/28/83/56/356288356.db2.gz LYPPXNTWDDTPBC-VIFPVBQESA-N 0 3 298.295 0.617 20 5 CCBDHN CC(C)(CO)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610481165 363565255 /nfs/dbraw/zinc/56/52/55/363565255.db2.gz LYVPHTPHJSZXBL-UHFFFAOYSA-N 0 3 297.359 0.180 20 5 CCBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])o1 ZINC000360108481 356948219 /nfs/dbraw/zinc/94/82/19/356948219.db2.gz WGHVKWAFCGHRSN-ZJUUUORDSA-N 0 3 295.295 0.781 20 5 CCBDHN Cn1c(C(=O)N[C@H](CN)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000401773176 357805699 /nfs/dbraw/zinc/80/56/99/357805699.db2.gz QBEHJINVBPTSHX-ZCFIWIBFSA-N 0 3 280.206 0.553 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420433725 358182537 /nfs/dbraw/zinc/18/25/37/358182537.db2.gz DDZNREMFKLBOCR-IUCAKERBSA-N 0 3 287.341 0.917 20 5 CCBDHN CCCCN(C)CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000584663540 359188860 /nfs/dbraw/zinc/18/88/60/359188860.db2.gz FFVTYEWPIBEEGX-UHFFFAOYSA-N 0 3 295.343 0.864 20 5 CCBDHN CN[C@@H](C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000584790970 359208072 /nfs/dbraw/zinc/20/80/72/359208072.db2.gz WXOISVWNQCFJJM-LURJTMIESA-N 0 3 263.257 0.439 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000588865182 359344274 /nfs/dbraw/zinc/34/42/74/359344274.db2.gz YADQCYHJMGSSNE-LLVKDONJSA-N 0 3 281.312 0.176 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000590444243 359466580 /nfs/dbraw/zinc/46/65/80/359466580.db2.gz NBMQDJNHCIBYRD-CABZTGNLSA-N 0 3 290.323 0.953 20 5 CCBDHN Cc1nc(N2C[C@@H](C)NC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000591433921 359590903 /nfs/dbraw/zinc/59/09/03/359590903.db2.gz ORDUNSMCLGVIID-SFYZADRCSA-N 0 3 251.290 0.880 20 5 CCBDHN CC1(C)CNCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592473446 359849086 /nfs/dbraw/zinc/84/90/86/359849086.db2.gz LGDBUHCCIHMCQF-UHFFFAOYSA-N 0 3 253.262 0.142 20 5 CCBDHN CN(C)CCN1CCN(c2ccccc2[N+](=O)[O-])CC1=O ZINC000593485976 360096213 /nfs/dbraw/zinc/09/62/13/360096213.db2.gz DYZOJLWDAXBNTB-UHFFFAOYSA-N 0 3 292.339 0.805 20 5 CCBDHN CC1(O)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000177316358 189044060 /nfs/dbraw/zinc/04/40/60/189044060.db2.gz VWSRQWPRCGLCNP-UHFFFAOYSA-N 0 3 254.290 0.638 20 5 CCBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595111315 360438537 /nfs/dbraw/zinc/43/85/37/360438537.db2.gz HJBWKOKURFDBQD-SSDOTTSWSA-N 0 3 274.302 0.005 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC23CC(C2)C[NH2+]3)nc1 ZINC000595120553 360440673 /nfs/dbraw/zinc/44/06/73/360440673.db2.gz HUHRAOCFKBOCRX-UHFFFAOYSA-N 0 3 298.324 0.020 20 5 CCBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595121463 360440759 /nfs/dbraw/zinc/44/07/59/360440759.db2.gz JZPQXLIYGUSZNC-LURJTMIESA-N 0 3 279.343 0.543 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595260820 360464292 /nfs/dbraw/zinc/46/42/92/360464292.db2.gz LVMJLAOENVQQKB-NXEZZACHSA-N 0 3 299.306 0.388 20 5 CCBDHN CN(CC1=CCSC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595887587 360690811 /nfs/dbraw/zinc/69/08/11/360690811.db2.gz GUSAPQOBYZTJFM-LBPRGKRZSA-N 0 3 298.368 0.757 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2COC[C@H]2C1 ZINC000595826932 360669377 /nfs/dbraw/zinc/66/93/77/360669377.db2.gz BEBJIRCFNXIXBQ-VXGBXAGGSA-N 0 3 293.323 0.725 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H]3COC[C@@H]3C2)n1 ZINC000595831286 360671429 /nfs/dbraw/zinc/67/14/29/360671429.db2.gz NANWPQKROCKZHJ-QWRGUYRKSA-N 0 3 266.301 0.760 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1[N+](=O)[O-] ZINC000595947416 360725196 /nfs/dbraw/zinc/72/51/96/360725196.db2.gz LELXXRPLURKAGG-HTQZYQBOSA-N 0 3 285.279 0.148 20 5 CCBDHN N[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1F ZINC000595906727 360700036 /nfs/dbraw/zinc/70/00/36/360700036.db2.gz MITJWKSYTKZNBP-NXEZZACHSA-N 0 3 257.269 0.162 20 5 CCBDHN COCCN(C)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596104366 360795165 /nfs/dbraw/zinc/79/51/65/360795165.db2.gz KBXIZRSAMQFUEC-UHFFFAOYSA-N 0 3 270.289 0.686 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180508995 189259992 /nfs/dbraw/zinc/25/99/92/189259992.db2.gz OTXDXWBIVDNFEF-SECBINFHSA-N 0 3 293.327 0.786 20 5 CCBDHN CC(C)(C)N1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000597926327 361284312 /nfs/dbraw/zinc/28/43/12/361284312.db2.gz YKSSYBCYOMXMIE-SECBINFHSA-N 0 3 296.331 0.175 20 5 CCBDHN CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598039786 361321429 /nfs/dbraw/zinc/32/14/29/361321429.db2.gz NIBKGUWJGLECHC-SECBINFHSA-N 0 3 281.316 0.874 20 5 CCBDHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000598648951 361472138 /nfs/dbraw/zinc/47/21/38/361472138.db2.gz JEQBSKLZBBJPOZ-NTZNESFSSA-N 0 3 298.343 0.103 20 5 CCBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000598650191 361472406 /nfs/dbraw/zinc/47/24/06/361472406.db2.gz NKDSOGJCWLGKOZ-WDEREUQCSA-N 0 3 268.317 0.742 20 5 CCBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000598650186 361473184 /nfs/dbraw/zinc/47/31/84/361473184.db2.gz NKDSOGJCWLGKOZ-QWRGUYRKSA-N 0 3 268.317 0.742 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CN(C)C)n1 ZINC000598739333 361503639 /nfs/dbraw/zinc/50/36/39/361503639.db2.gz AWRUHVVWJJNYRL-UHFFFAOYSA-N 0 3 283.332 0.881 20 5 CCBDHN Cc1ccc([C@H](C)Nc2nc(N)nc(N)n2)cc1[N+](=O)[O-] ZINC000599062456 361563563 /nfs/dbraw/zinc/56/35/63/361563563.db2.gz QTBSIGZNKXOLNY-ZETCQYMHSA-N 0 3 289.299 0.508 20 5 CCBDHN CN1CC[C@](O)(CNc2cccnc2[N+](=O)[O-])C1 ZINC000613049670 364101151 /nfs/dbraw/zinc/10/11/51/364101151.db2.gz DJXOMJSRSZTWTL-NSHDSACASA-N 0 3 252.274 0.468 20 5 CCBDHN CO[C@@H]1COC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000564928132 291317875 /nfs/dbraw/zinc/31/78/75/291317875.db2.gz JAJLRWXZMRVXBE-ZWNOBZJWSA-N 0 3 282.296 0.977 20 5 CCBDHN COC(=O)NCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000496604290 240237939 /nfs/dbraw/zinc/23/79/39/240237939.db2.gz FKKWARVIKLEIGQ-LLVKDONJSA-N 0 3 283.284 0.574 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330669879 203098245 /nfs/dbraw/zinc/09/82/45/203098245.db2.gz DCXHQHCBYWEUET-VIFPVBQESA-N 0 3 283.332 0.593 20 5 CCBDHN CN1CC[C@]2(CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000515534276 249138525 /nfs/dbraw/zinc/13/85/25/249138525.db2.gz RVYWGYPSDJONDS-ZDUSSCGKSA-N 0 3 293.327 0.346 20 5 CCBDHN N[C@H]1C[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000518564124 249255984 /nfs/dbraw/zinc/25/59/84/249255984.db2.gz IAMXVXYTMZXKPZ-NEPJUHHUSA-N 0 3 290.323 0.339 20 5 CCBDHN O=C(NCCN1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340460344 389160903 /nfs/dbraw/zinc/16/09/03/389160903.db2.gz ODJZNQJZNXAOHO-UHFFFAOYSA-N 0 3 252.274 0.749 20 5 CCBDHN COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340907157 389164959 /nfs/dbraw/zinc/16/49/59/389164959.db2.gz BCMROCPXSRPPEF-SNVBAGLBSA-N 0 3 296.327 0.764 20 5 CCBDHN COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340907157 389164960 /nfs/dbraw/zinc/16/49/60/389164960.db2.gz BCMROCPXSRPPEF-SNVBAGLBSA-N 0 3 296.327 0.764 20 5 CCBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000340907157 389164962 /nfs/dbraw/zinc/16/49/62/389164962.db2.gz BCMROCPXSRPPEF-SNVBAGLBSA-N 0 3 296.327 0.764 20 5 CCBDHN C[C@@H]1[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCCN1C ZINC000343597365 389267616 /nfs/dbraw/zinc/26/76/16/389267616.db2.gz HKVMXKIKJSVVSM-NXEZZACHSA-N 0 3 290.327 0.954 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2C[C@H](O)C3(CC3)C2)n1 ZINC000364436220 389264739 /nfs/dbraw/zinc/26/47/39/389264739.db2.gz WOOWBPUMKIYWEK-VIFPVBQESA-N 0 3 252.274 0.248 20 5 CCBDHN C[C@@H]1CC[C@H](O)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000420998289 389344278 /nfs/dbraw/zinc/34/42/78/389344278.db2.gz BNDBZLBIJNXRGT-KOLCDFICSA-N 0 3 254.290 0.637 20 5 CCBDHN C[C@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331022142 389286434 /nfs/dbraw/zinc/28/64/34/389286434.db2.gz ZACARXPLFBLCPK-JTQLQIEISA-N 0 3 253.306 0.427 20 5 CCBDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000160405244 389387384 /nfs/dbraw/zinc/38/73/84/389387384.db2.gz HVOLBELIUKKRDQ-JTQLQIEISA-N 0 3 297.311 0.764 20 5 CCBDHN CCN(CCOCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000281933774 389636400 /nfs/dbraw/zinc/63/64/00/389636400.db2.gz DNOASJQBEAGUSE-UHFFFAOYSA-N 0 3 299.327 0.087 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C1(CO)CCC1 ZINC000429238823 389746725 /nfs/dbraw/zinc/74/67/25/389746725.db2.gz OZWMRNYXQGBESZ-UHFFFAOYSA-N 0 3 254.290 0.638 20 5 CCBDHN Cc1n[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1[N+](=O)[O-] ZINC000446414366 389935543 /nfs/dbraw/zinc/93/55/43/389935543.db2.gz XAWDQSKBDZMMPT-DTORHVGOSA-N 0 3 279.300 0.593 20 5 CCBDHN Cc1[nH]nc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1[N+](=O)[O-] ZINC000446414366 389935546 /nfs/dbraw/zinc/93/55/46/389935546.db2.gz XAWDQSKBDZMMPT-DTORHVGOSA-N 0 3 279.300 0.593 20 5 CCBDHN C[C@H]1[C@H](CO)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000488749174 390095935 /nfs/dbraw/zinc/09/59/35/390095935.db2.gz ROANFCXNTDQZNJ-UWVGGRQHSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@H]1CCCN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000579427810 390172115 /nfs/dbraw/zinc/17/21/15/390172115.db2.gz OMJYHXQNFSHOLM-VIFPVBQESA-N 0 3 281.316 0.780 20 5 CCBDHN CC[C@]1(O)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000495190795 390222578 /nfs/dbraw/zinc/22/25/78/390222578.db2.gz IWHXWHAQFSPJMN-NSHDSACASA-N 0 3 254.290 0.638 20 5 CCBDHN CCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000567521025 390702682 /nfs/dbraw/zinc/70/26/82/390702682.db2.gz NFWCCPVYBXVMRI-LLVKDONJSA-N 0 3 269.301 0.378 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCC[C@H]2F)c1 ZINC000572357327 390779409 /nfs/dbraw/zinc/77/94/09/390779409.db2.gz PBAJGBBBJLUOPO-AXFHLTTASA-N 0 3 272.280 0.632 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)NC[C@H]2C)n1 ZINC000578647901 390896745 /nfs/dbraw/zinc/89/67/45/390896745.db2.gz NGPIIRQKUZDWKJ-DTWKUNHWSA-N 0 3 281.316 0.634 20 5 CCBDHN COCCNCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237279978 131020507 /nfs/dbraw/zinc/02/05/07/131020507.db2.gz PLTBLQGQRLAHBG-UHFFFAOYSA-N 0 3 297.311 0.326 20 5 CCBDHN C[C@@H]1NCCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1C ZINC000262849480 131267565 /nfs/dbraw/zinc/26/75/65/131267565.db2.gz ZHIVVTUWXIGOPF-IUCAKERBSA-N 0 3 278.312 0.999 20 5 CCBDHN Nc1nc(NC[C@@H](O)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000263942898 131365734 /nfs/dbraw/zinc/36/57/34/131365734.db2.gz GAEZLSXNRAVXGL-SECBINFHSA-N 0 3 296.331 0.226 20 5 CCBDHN CN1CCN(CCCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000263974185 131371478 /nfs/dbraw/zinc/37/14/78/131371478.db2.gz XFJPPXBUHGJWNT-UHFFFAOYSA-N 0 3 295.347 0.016 20 5 CCBDHN COc1ccc(CNC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358165222 533673043 /nfs/dbraw/zinc/67/30/43/533673043.db2.gz KYBQTPWFNITZGJ-CQSZACIVSA-N 0 3 295.339 0.760 20 5 CCBDHN Cc1cc(S(=O)(=O)N(C)C2CNC2)ccc1[N+](=O)[O-] ZINC000357485271 144095575 /nfs/dbraw/zinc/09/55/75/144095575.db2.gz OBMIQDXKUKZJQM-UHFFFAOYSA-N 0 3 285.325 0.496 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](N2CCCC2)C1 ZINC000371825343 144345681 /nfs/dbraw/zinc/34/56/81/144345681.db2.gz SJXDLNNDCPTCSX-LLVKDONJSA-N 0 3 279.344 0.998 20 5 CCBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005509022 170105785 /nfs/dbraw/zinc/10/57/85/170105785.db2.gz RPCOBAXNXUIUGW-UHFFFAOYSA-N 0 3 282.256 0.794 20 5 CCBDHN C[C@H](CO)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000284974948 196169034 /nfs/dbraw/zinc/16/90/34/196169034.db2.gz XVLUUOWWRXOOOM-SECBINFHSA-N 0 3 255.274 0.069 20 5 CCBDHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285183111 196216265 /nfs/dbraw/zinc/21/62/65/196216265.db2.gz NRDTWHYECWLJGR-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN CCN(CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000071794359 176264112 /nfs/dbraw/zinc/26/41/12/176264112.db2.gz UMXXFNVLPXYVDA-GFCCVEGCSA-N 0 3 284.312 0.649 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417916198 227164612 /nfs/dbraw/zinc/16/46/12/227164612.db2.gz URGZCUIJXBUAAC-VHSXEESVSA-N 0 3 296.331 0.183 20 5 CCBDHN C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1 ZINC000417916197 227165543 /nfs/dbraw/zinc/16/55/43/227165543.db2.gz URGZCUIJXBUAAC-UWVGGRQHSA-N 0 3 296.331 0.183 20 5 CCBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1N(C)C ZINC000270403583 274183384 /nfs/dbraw/zinc/18/33/84/274183384.db2.gz VULDKPZGDXLCKT-RKDXNWHRSA-N 0 3 298.372 0.449 20 5 CCBDHN N[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000423720439 274954593 /nfs/dbraw/zinc/95/45/93/274954593.db2.gz HDVXGQNKZQIZRI-LLVKDONJSA-N 0 3 289.295 0.959 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CC[NH2+]CC1 ZINC000035346776 302047101 /nfs/dbraw/zinc/04/71/01/302047101.db2.gz NNMMAIIYSWYECT-UHFFFAOYSA-N 0 3 299.352 0.934 20 5 CCBDHN COCCN(C)C[C@H](O)Cn1nc([N+](=O)[O-])cc1C ZINC000388730674 328072763 /nfs/dbraw/zinc/07/27/63/328072763.db2.gz KCIWEXOTFSZIIL-JTQLQIEISA-N 0 3 272.305 0.039 20 5 CCBDHN CN(C)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000582012351 336191643 /nfs/dbraw/zinc/19/16/43/336191643.db2.gz FJJTYHFTYCEMDK-RYUDHWBXSA-N 0 3 297.286 0.481 20 5 CCBDHN O=C(CCN(CCO)CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411221647 534392844 /nfs/dbraw/zinc/39/28/44/534392844.db2.gz HOHWFZGFEKAXHV-UHFFFAOYSA-N 0 3 297.311 0.210 20 5 CCBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCOC1 ZINC000361589600 528612144 /nfs/dbraw/zinc/61/21/44/528612144.db2.gz HOYXWTXNYZQALC-LBPRGKRZSA-N 0 3 281.312 0.867 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](O)[C@@H](N(C)C)C1 ZINC000359954487 535969866 /nfs/dbraw/zinc/96/98/66/535969866.db2.gz OBTZCYVVZNGFKI-VHSXEESVSA-N 0 3 283.332 0.231 20 5 CCBDHN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CN2CCC1CC2 ZINC000347957020 536012475 /nfs/dbraw/zinc/01/24/75/536012475.db2.gz UNOWUMXVSMIAIV-LBPRGKRZSA-N 0 3 293.327 0.344 20 5 CCBDHN CC[C@@H](CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000794914596 581390661 /nfs/dbraw/zinc/39/06/61/581390661.db2.gz CVTAICHLCXWDMH-JTQLQIEISA-N 0 3 267.285 0.554 20 5 CCBDHN C[C@@H]1CCCN1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000742424711 581781445 /nfs/dbraw/zinc/78/14/45/581781445.db2.gz BPXFMYBVUMXSQQ-SECBINFHSA-N 0 3 293.327 0.985 20 5 CCBDHN CNC(=O)[C@@H](C)CN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592021 582083127 /nfs/dbraw/zinc/08/31/27/582083127.db2.gz OKVREUDXIZMVDY-GXFFZTMASA-N 0 3 295.339 0.942 20 5 CCBDHN CCC(=O)N1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108183 614542591 /nfs/dbraw/zinc/54/25/91/614542591.db2.gz BYBMKFOJRYKUSL-UWVGGRQHSA-N 0 3 272.301 0.986 20 5 CCBDHN CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000861892332 614707332 /nfs/dbraw/zinc/70/73/32/614707332.db2.gz GPLDRRVOXSCCOP-UHFFFAOYSA-N 0 3 281.316 0.874 20 5 CCBDHN CCOC(=O)CC1(NCC[N+](=O)[O-])CCOCC1 ZINC000931071245 615170928 /nfs/dbraw/zinc/17/09/28/615170928.db2.gz WCGLTNCSFVJNFB-UHFFFAOYSA-N 0 3 260.290 0.355 20 5 CCBDHN CC[C@H](C)[C@H](NC(C)=O)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112953 615697700 /nfs/dbraw/zinc/69/77/00/615697700.db2.gz MNUKHHKGLGXVBS-XKSSXDPKSA-N 0 3 260.290 0.746 20 5 CCBDHN CN(CCO)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000899734292 616106019 /nfs/dbraw/zinc/10/60/19/616106019.db2.gz ZINJZMCKGHOKQW-UHFFFAOYSA-N 0 3 285.275 0.388 20 5 CCBDHN CN1CCOC[C@]1(CO)CNCc1ccccc1[N+](=O)[O-] ZINC000922537682 616250496 /nfs/dbraw/zinc/25/04/96/616250496.db2.gz ADXVPOKVQQCROM-CQSZACIVSA-N 0 3 295.339 0.378 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000893939934 616508133 /nfs/dbraw/zinc/50/81/33/616508133.db2.gz KREKRDAUUPJNAL-BDAKNGLRSA-N 0 3 251.290 0.469 20 5 CCBDHN COCCOc1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114789 616598685 /nfs/dbraw/zinc/59/86/85/616598685.db2.gz WODCANCAJIDBJY-SECBINFHSA-N 0 3 284.268 0.929 20 5 CCBDHN CC(COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)[N+](=O)[O-] ZINC000813103434 624648706 /nfs/dbraw/zinc/64/87/06/624648706.db2.gz AHTPKNMLLQOJRT-XLDPMVHQSA-N 0 3 288.325 0.649 20 5 CCBDHN C[C@@H](CN1CCN(c2ccccn2)CC1)NCC[N+](=O)[O-] ZINC000905126090 634805233 /nfs/dbraw/zinc/80/52/33/634805233.db2.gz DFRNBLITCBAZGW-ZDUSSCGKSA-N 0 3 293.371 0.458 20 5 CCBDHN Cc1nc(N2CCN(C)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000897094734 632391721 /nfs/dbraw/zinc/39/17/21/632391721.db2.gz NCMZFSNFWNJJAW-UHFFFAOYSA-N 0 3 293.371 0.982 20 5 CCBDHN C[C@H](C(=O)NCCN(C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000899738117 633880925 /nfs/dbraw/zinc/88/09/25/633880925.db2.gz RZLAHZQBABPBIC-NSHDSACASA-N 0 3 295.339 0.739 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCN(C)CCO ZINC000899742358 633886383 /nfs/dbraw/zinc/88/63/83/633886383.db2.gz WXJFEALDHLJZHF-UHFFFAOYSA-N 0 3 295.339 0.866 20 5 CCBDHN Cc1nccc(CCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000842802328 640234359 /nfs/dbraw/zinc/23/43/59/640234359.db2.gz VNWGSYYGYVUUBT-MRVPVSSYSA-N 0 3 253.258 0.926 20 5 CCBDHN CC(COC(=O)c1ccoc1CC(N)=O)[N+](=O)[O-] ZINC000813108557 641022951 /nfs/dbraw/zinc/02/29/51/641022951.db2.gz HIJRCRQOFWSBLA-ZCFIWIBFSA-N 0 3 256.214 0.129 20 5 CCBDHN CC(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)[N+](=O)[O-] ZINC000813112803 641024612 /nfs/dbraw/zinc/02/46/12/641024612.db2.gz LMUAALRVDRZNDP-QMMMGPOBSA-N 0 3 299.283 0.059 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC(CO)CO ZINC000873062700 646346610 /nfs/dbraw/zinc/34/66/10/646346610.db2.gz XLGLEWMBMANELQ-UHFFFAOYSA-N 0 3 254.286 0.654 20 5 CCBDHN CC(COC(=O)c1c2c(nn1C)CCC2)[N+](=O)[O-] ZINC001123043121 799342334 /nfs/dbraw/zinc/34/23/34/799342334.db2.gz WLNOSBYWWOYISH-ZETCQYMHSA-N 0 3 253.258 0.731 20 5 CCBDHN CN(c1cc([N+](=O)[O-])c2cc[nH]c2n1)S(=O)(=O)CCN ZINC001156238321 801136384 /nfs/dbraw/zinc/13/63/84/801136384.db2.gz JCUDQSMULHPFOE-UHFFFAOYSA-N 0 3 299.312 0.196 20 5 CCBDHN COc1nc(-n2nncc2CN)ccc1[N+](=O)[O-] ZINC001158420191 801637983 /nfs/dbraw/zinc/63/79/83/801637983.db2.gz GYPPEBGDEHZUJZ-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN NCc1cn(-c2ncnc3[nH]cc([N+](=O)[O-])c32)cn1 ZINC001162296987 802303393 /nfs/dbraw/zinc/30/33/93/802303393.db2.gz SGJNWGVTSNFNFF-UHFFFAOYSA-N 0 3 259.229 0.511 20 5 CCBDHN Cc1nc(-n2cnc3c2CNCC3)ncc1[N+](=O)[O-] ZINC001164317435 802721555 /nfs/dbraw/zinc/72/15/55/802721555.db2.gz SOQIEQZVUAFKCO-UHFFFAOYSA-N 0 3 260.257 0.525 20 5 CCBDHN COc1ncnc(N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC001165140960 802786424 /nfs/dbraw/zinc/78/64/24/802786424.db2.gz RGAJBVVXIUXEDS-UHFFFAOYSA-N 0 3 281.316 0.925 20 5 CCBDHN COc1cnc(N2CC[C@@H]3NCCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165271454 802809144 /nfs/dbraw/zinc/80/91/44/802809144.db2.gz VPEVTNBVCAUIGS-JQWIXIFHSA-N 0 3 294.311 0.566 20 5 CCBDHN Nc1cc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)ccn1 ZINC001226653328 805261511 /nfs/dbraw/zinc/26/15/11/805261511.db2.gz HGCVSSXZSJOXTI-QMMMGPOBSA-N 0 3 277.240 0.609 20 5 CCBDHN C[C@H](C[N+](C)(C)C)Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1 ZINC001227430435 805350417 /nfs/dbraw/zinc/35/04/17/805350417.db2.gz KXDCJIVBHPCWML-ZCFIWIBFSA-O 0 3 268.297 0.238 20 5 CCBDHN CN(CCCNC(=O)C(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001265030869 809697093 /nfs/dbraw/zinc/69/70/93/809697093.db2.gz MUEDUTICBTVANX-UHFFFAOYSA-N 0 3 294.311 0.018 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702063130 819047913 /nfs/dbraw/zinc/04/79/13/819047913.db2.gz KQSUMTXUWKCKOH-SECBINFHSA-N 0 3 299.714 0.966 20 5 CCBDHN CN(C1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)[C@H]1CCOC1 ZINC001169051348 836116249 /nfs/dbraw/zinc/11/62/49/836116249.db2.gz DMJCHIIJXNMBNR-XQQFMLRXSA-N 0 3 283.372 0.837 20 5 CCBDHN COC(=O)C1(O)CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046307 836117036 /nfs/dbraw/zinc/11/70/36/836117036.db2.gz KHOUIQFILGAZQT-GHMZBOCLSA-N 0 3 286.328 0.432 20 5 CCBDHN O=c1[n-]n([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1C[NH2+]CC2 ZINC001169049639 836117371 /nfs/dbraw/zinc/11/73/71/836117371.db2.gz XDIAKWMEONWOFH-DTWKUNHWSA-N 0 3 266.301 0.852 20 5 CCBDHN NCc1cnnn1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001169311603 836211725 /nfs/dbraw/zinc/21/17/25/836211725.db2.gz MBPBSUSFQRCQAA-UHFFFAOYSA-N 0 3 259.229 0.282 20 5 CCBDHN CN1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]21 ZINC001157259462 836899791 /nfs/dbraw/zinc/89/97/91/836899791.db2.gz FEKQCETZPBCFHX-ZYHUDNBSSA-N 0 3 278.312 0.759 20 5 CCBDHN C[C@H](Nc1cnc([N+](=O)[O-])cn1)[C@H]1CNCCO1 ZINC001170572195 838147842 /nfs/dbraw/zinc/14/78/42/838147842.db2.gz PIOGIWVXIZJGFZ-JGVFFNPUSA-N 0 3 253.262 0.174 20 5 CCBDHN Cc1nnc2ccc(C(=O)OCC(C)[N+](=O)[O-])cn12 ZINC000813101603 838676262 /nfs/dbraw/zinc/67/62/62/838676262.db2.gz DYTZFUUKRWQVJT-SSDOTTSWSA-N 0 3 264.241 0.860 20 5 CCBDHN COc1ncc(/C=C\C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813102652 838677219 /nfs/dbraw/zinc/67/72/19/838677219.db2.gz IEEYOBKRWISSNR-VEMNSZJBSA-N 0 3 267.241 0.707 20 5 CCBDHN C[C@@H](Nc1cc([N+](=O)[O-])cc[n+]1[O-])[C@@H]1CNCCO1 ZINC001159488405 839298830 /nfs/dbraw/zinc/29/88/30/839298830.db2.gz CVKKDBWGPZJVPV-SCZZXKLOSA-N 0 3 268.273 0.017 20 5 CCBDHN CC(C)(O)CN1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001307185226 908293727 /nfs/dbraw/zinc/29/37/27/908293727.db2.gz MUZPNAYGARDPIF-QMMMGPOBSA-N 0 3 296.331 0.224 20 5 CCBDHN CCn1ccc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001317584935 909382542 /nfs/dbraw/zinc/38/25/42/909382542.db2.gz KJMQHYSEBYJIEY-VXGBXAGGSA-N 0 3 295.343 0.116 20 5 CCBDHN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC001320395716 910656227 /nfs/dbraw/zinc/65/62/27/910656227.db2.gz ZZFLZWDXEUWVDI-UHFFFAOYSA-N 0 3 281.316 0.495 20 5 CCBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001332525679 918254369 /nfs/dbraw/zinc/25/43/69/918254369.db2.gz AVEARIXFCDUENF-NXEZZACHSA-N 0 3 279.300 0.627 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C2CCC1(CO)CC2 ZINC001336285653 920700779 /nfs/dbraw/zinc/70/07/79/920700779.db2.gz CQJGXYPSYRQPAC-UHFFFAOYSA-N 0 3 293.323 0.746 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCCN2CCO ZINC001352096707 925522799 /nfs/dbraw/zinc/52/27/99/925522799.db2.gz HRNXNPPLXVDUKF-WDEREUQCSA-N 0 3 295.343 0.364 20 5 CCBDHN C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C1=CCN(C)CC1 ZINC000273036405 192027108 /nfs/dbraw/zinc/02/71/08/192027108.db2.gz VNRGBRXXPVZHQM-SNVBAGLBSA-N 0 3 293.327 0.558 20 5 CCBDHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111302431 349770262 /nfs/dbraw/zinc/77/02/62/349770262.db2.gz MVJLAOSJLQDCBB-ZETCQYMHSA-N 0 3 259.287 0.220 20 5 CCBDHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111302220 349770345 /nfs/dbraw/zinc/77/03/45/349770345.db2.gz RMESMBRKDSNRFK-LURJTMIESA-N 0 3 293.732 0.874 20 5 CCBDHN CN1CC[C@@](O)(CNc2ncccc2[N+](=O)[O-])C1 ZINC000358322628 529801319 /nfs/dbraw/zinc/80/13/19/529801319.db2.gz RHHIZZXOYQKWCO-LLVKDONJSA-N 0 3 252.274 0.468 20 5 CCBDHN CN(C)c1ncc(CNCCn2cc([N+](=O)[O-])cn2)n1C ZINC000425339364 529809604 /nfs/dbraw/zinc/80/96/04/529809604.db2.gz CJTROJZAXIHFLO-UHFFFAOYSA-N 0 3 293.331 0.381 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343441672 137135500 /nfs/dbraw/zinc/13/55/00/137135500.db2.gz AJNJDHOXYTZPBM-MWLCHTKSSA-N 0 3 295.343 0.699 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343441671 137135701 /nfs/dbraw/zinc/13/57/01/137135701.db2.gz AJNJDHOXYTZPBM-KOLCDFICSA-N 0 3 295.343 0.699 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)C ZINC000346163364 137270256 /nfs/dbraw/zinc/27/02/56/137270256.db2.gz OSPZJBKWZLRADK-QMMMGPOBSA-N 0 3 266.301 0.978 20 5 CCBDHN CCN(C)CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347529282 137341751 /nfs/dbraw/zinc/34/17/51/137341751.db2.gz SOFHPTUCWZONQA-UHFFFAOYSA-N 0 3 255.278 0.010 20 5 CCBDHN O=C(CCOC1CNC1)NCCc1ccccc1[N+](=O)[O-] ZINC000348989570 137382619 /nfs/dbraw/zinc/38/26/19/137382619.db2.gz CTTYFOJDQBTILQ-UHFFFAOYSA-N 0 3 293.323 0.632 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)Cn2cccn2)c1 ZINC000052926328 348517342 /nfs/dbraw/zinc/51/73/42/348517342.db2.gz AXUKCEYSNQHXIK-ZDUSSCGKSA-N 0 3 276.296 0.942 20 5 CCBDHN O=C(CN1CCNCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000052942823 348518185 /nfs/dbraw/zinc/51/81/85/348518185.db2.gz KCUNSGRNBXLYLG-UHFFFAOYSA-N 0 3 278.312 0.116 20 5 CCBDHN C[C@@H]1[C@@H](CO)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000412098642 233058216 /nfs/dbraw/zinc/05/82/16/233058216.db2.gz VSCQQJCEDUTGPV-VXGBXAGGSA-N 0 3 295.339 0.849 20 5 CCBDHN CCCc1n[nH]c(C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000131172227 350265702 /nfs/dbraw/zinc/26/57/02/350265702.db2.gz ZYQXEMDAAWBHBR-UHFFFAOYSA-N 0 3 269.305 0.562 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](O)[C@H](C)C1 ZINC000167199082 350807247 /nfs/dbraw/zinc/80/72/47/350807247.db2.gz MOIKYOWZQORGOB-KOLCDFICSA-N 0 3 268.317 0.802 20 5 CCBDHN Cc1nn(C)c(C(=O)NC[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000171103835 350885356 /nfs/dbraw/zinc/88/53/56/350885356.db2.gz KJZKNDIESZASPL-QMMMGPOBSA-N 0 3 295.343 0.849 20 5 CCBDHN CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000178916034 351252430 /nfs/dbraw/zinc/25/24/30/351252430.db2.gz WYVRPCCXYXIFKI-UHFFFAOYSA-N 0 3 273.314 0.401 20 5 CCBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230695897 352117793 /nfs/dbraw/zinc/11/77/93/352117793.db2.gz NGWJUQTWTWXCRY-UHFFFAOYSA-N 0 3 293.327 0.740 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCCN2C[C@H](O)C[C@H]2CO)cc1 ZINC000248387866 352436744 /nfs/dbraw/zinc/43/67/44/352436744.db2.gz CCNXQMJAQNTGAF-QWHCGFSZSA-N 0 3 296.323 0.791 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C1(CO)CCC1 ZINC000292069507 198152144 /nfs/dbraw/zinc/15/21/44/198152144.db2.gz DLPOXLJVODLHSI-UHFFFAOYSA-N 0 3 254.290 0.638 20 5 CCBDHN CN(c1c([N+](=O)[O-])ncn1C)[C@@H]1CCCN(C)C1 ZINC000266021584 352677654 /nfs/dbraw/zinc/67/76/54/352677654.db2.gz PRGSXVLSZDLHPD-SECBINFHSA-N 0 3 253.306 0.859 20 5 CCBDHN COC(=O)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267048244 352740915 /nfs/dbraw/zinc/74/09/15/352740915.db2.gz FPSNRLRSLZLAMO-VIFPVBQESA-N 0 3 268.273 0.286 20 5 CCBDHN CN(C)[C@@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270749532 352977713 /nfs/dbraw/zinc/97/77/13/352977713.db2.gz BXMXKAIMOUGEFQ-SECBINFHSA-N 0 3 281.316 0.495 20 5 CCBDHN CN(C)CCN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272562154 353074478 /nfs/dbraw/zinc/07/44/78/353074478.db2.gz CCOUKCMHSYIOPB-UHFFFAOYSA-N 0 3 266.301 0.811 20 5 CCBDHN Cc1ccc(C(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000152598743 188031512 /nfs/dbraw/zinc/03/15/12/188031512.db2.gz PQVVHTZZPQEMCT-AWEZNQCLSA-N 0 3 295.339 0.946 20 5 CCBDHN C[C@H](O)CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154363082 188137968 /nfs/dbraw/zinc/13/79/68/188137968.db2.gz JDGBHDLIUZIQSD-CABZTGNLSA-N 0 3 254.286 0.941 20 5 CCBDHN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000279714227 353311290 /nfs/dbraw/zinc/31/12/90/353311290.db2.gz IGQLDGMYRUWHDT-NSHDSACASA-N 0 3 281.312 0.459 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@H]1O ZINC000286710837 353605448 /nfs/dbraw/zinc/60/54/48/353605448.db2.gz WSINYNOPRSXAQW-VXGBXAGGSA-N 0 3 281.312 0.602 20 5 CCBDHN CN(C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301155560 354071104 /nfs/dbraw/zinc/07/11/04/354071104.db2.gz MYQHHKLPGVZQBT-QMMMGPOBSA-N 0 3 279.300 0.229 20 5 CCBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1CO ZINC000305730450 354156106 /nfs/dbraw/zinc/15/61/06/354156106.db2.gz NGUWADKASNRSAO-DGCLKSJQSA-N 0 3 295.339 0.849 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2CCC(O)(CO)CC2)cc1 ZINC000313625564 354216716 /nfs/dbraw/zinc/21/67/16/354216716.db2.gz KRYSHCQRACPJHZ-UHFFFAOYSA-N 0 3 280.324 0.957 20 5 CCBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1CCOC1 ZINC000330418036 354350774 /nfs/dbraw/zinc/35/07/74/354350774.db2.gz WHGPGKGBXQNRLP-DTWKUNHWSA-N 0 3 254.290 0.843 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCC[C@@]1(C)CO ZINC000331189459 354484630 /nfs/dbraw/zinc/48/46/30/354484630.db2.gz VGVYAERZJOOJEE-JQWIXIFHSA-N 0 3 268.317 0.969 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000351814202 356007293 /nfs/dbraw/zinc/00/72/93/356007293.db2.gz JJCNVXNJPRVUKF-MPKXVKKWSA-N 0 3 296.323 0.647 20 5 CCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1CO ZINC000362090766 138046465 /nfs/dbraw/zinc/04/64/65/138046465.db2.gz OOOIKQNTEPPXBW-NXEZZACHSA-N 0 3 254.290 0.352 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC([C@@H]3CCOC3)C2)c1 ZINC000619506709 366269809 /nfs/dbraw/zinc/26/98/09/366269809.db2.gz WDHZTIXFCNPJSH-MFKMUULPSA-N 0 3 296.327 0.121 20 5 CCBDHN CC(C)(CO)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610485209 363565200 /nfs/dbraw/zinc/56/52/00/363565200.db2.gz CLSJHPOMKPKNMH-UHFFFAOYSA-N 0 3 297.359 0.180 20 5 CCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](N2CCCC2)C1 ZINC000360254707 356977898 /nfs/dbraw/zinc/97/78/98/356977898.db2.gz QLSNLHCDNOUVQW-LLVKDONJSA-N 0 3 293.327 0.488 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366461465 357212114 /nfs/dbraw/zinc/21/21/14/357212114.db2.gz LOHIOVVTLUJVEI-UWVGGRQHSA-N 0 3 299.306 0.306 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(O)c2)c1 ZINC000383674652 357717410 /nfs/dbraw/zinc/71/74/10/357717410.db2.gz XAYXGJCCMLSOBW-ZDUSSCGKSA-N 0 3 292.295 0.648 20 5 CCBDHN Cc1nc(NC[C@@H]2CCCN2CCCO)ncc1[N+](=O)[O-] ZINC000450590846 236097931 /nfs/dbraw/zinc/09/79/31/236097931.db2.gz DXTPWZSOIZJVQF-NSHDSACASA-N 0 3 295.343 0.374 20 5 CCBDHN Cc1n[nH]c(C(=O)NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000408159214 357946327 /nfs/dbraw/zinc/94/63/27/357946327.db2.gz QHSCIFVKLMPRMB-UHFFFAOYSA-N 0 3 267.289 0.450 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCc3cn[nH]c3C2)c1 ZINC000611009227 363648376 /nfs/dbraw/zinc/64/83/76/363648376.db2.gz VCHADSRFHSVOKI-UHFFFAOYSA-N 0 3 262.273 0.573 20 5 CCBDHN CC(C)c1n[nH]c(C(=O)N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000590370227 359445649 /nfs/dbraw/zinc/44/56/49/359445649.db2.gz VYTYOMFKRIFICH-QMMMGPOBSA-N 0 3 299.331 0.094 20 5 CCBDHN Cc1nn(C)c(N2CCNC[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000591442192 359593711 /nfs/dbraw/zinc/59/37/11/359593711.db2.gz ORGMUNSWCGQIDK-NSHDSACASA-N 0 3 271.296 0.775 20 5 CCBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2C[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000592383156 359830722 /nfs/dbraw/zinc/83/07/22/359830722.db2.gz JXLSXZKZUOQFRX-AOOOYVTPSA-N 0 3 299.352 0.980 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000611219836 363685667 /nfs/dbraw/zinc/68/56/67/363685667.db2.gz VBCDXLAUKNPDOJ-SNVBAGLBSA-N 0 3 293.327 0.542 20 5 CCBDHN CC1(OCC(=O)N2CCc3c2cccc3[N+](=O)[O-])CNC1 ZINC000592534446 359877100 /nfs/dbraw/zinc/87/71/00/359877100.db2.gz VXXJQLDYKJGMMI-UHFFFAOYSA-N 0 3 291.307 0.862 20 5 CCBDHN Cn1nnnc1CCNCc1cccc([N+](=O)[O-])c1 ZINC000611314596 363706292 /nfs/dbraw/zinc/70/62/92/363706292.db2.gz PKWHXVQFEXCNKK-UHFFFAOYSA-N 0 3 262.273 0.451 20 5 CCBDHN CN(CCN1CCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000593882038 360193348 /nfs/dbraw/zinc/19/33/48/360193348.db2.gz BGHGFAIIBZEAPE-UHFFFAOYSA-N 0 3 295.343 0.736 20 5 CCBDHN Cc1cc(=O)n(C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000594699538 360361833 /nfs/dbraw/zinc/36/18/33/360361833.db2.gz ZIBBHTRBZALCRY-VIFPVBQESA-N 0 3 253.258 0.053 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(OCCO)CCOC2)cc1 ZINC000594974521 360428183 /nfs/dbraw/zinc/42/81/83/360428183.db2.gz KWNYQLONQURMPG-AWEZNQCLSA-N 0 3 296.323 0.852 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1C[C@@H](O)C12CCC2 ZINC000595779839 360652930 /nfs/dbraw/zinc/65/29/30/360652930.db2.gz FXAYWRVEDFVUKR-VXGBXAGGSA-N 0 3 293.323 0.650 20 5 CCBDHN Nc1ccc(N2C[C@H]3CCC[C@@H](C2)N3)nc1[N+](=O)[O-] ZINC000596016047 360776399 /nfs/dbraw/zinc/77/63/99/360776399.db2.gz OEOFHVKMGGFMCL-DTORHVGOSA-N 0 3 263.301 0.903 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](CO)CN(C)C ZINC000596245058 360851023 /nfs/dbraw/zinc/85/10/23/360851023.db2.gz WJEAIJWMASRGGZ-SECBINFHSA-N 0 3 271.321 0.454 20 5 CCBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000597923113 361282815 /nfs/dbraw/zinc/28/28/15/361282815.db2.gz LKPGWZHMCVBAGI-MRVPVSSYSA-N 0 3 281.316 0.921 20 5 CCBDHN Cc1cc(NCCN2CC[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000599176815 361600054 /nfs/dbraw/zinc/60/00/54/361600054.db2.gz ZMIPTUWUYLMLJD-SNVBAGLBSA-N 0 3 266.301 0.199 20 5 CCBDHN C[C@@H](CSc1ncc([N+](=O)[O-])c(N)n1)N(C)C ZINC000514735016 249101808 /nfs/dbraw/zinc/10/18/08/249101808.db2.gz SDYVKXMCXLPMQM-LURJTMIESA-N 0 3 257.319 0.840 20 5 CCBDHN COCCN(C)C[C@H](O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000517175979 249206821 /nfs/dbraw/zinc/20/68/21/249206821.db2.gz KKDBJAOGTNHNBH-JTQLQIEISA-N 0 3 272.305 0.039 20 5 CCBDHN CN(C)CC1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CCC1 ZINC000281171538 195134548 /nfs/dbraw/zinc/13/45/48/195134548.db2.gz XSZDDZKIVUKWBJ-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN COC(=O)CC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000288559603 197111974 /nfs/dbraw/zinc/11/19/74/197111974.db2.gz JRFBHULFWDVTMQ-JTQLQIEISA-N 0 3 281.268 0.814 20 5 CCBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000525804048 285319170 /nfs/dbraw/zinc/31/91/70/285319170.db2.gz GYNABOSWCIVDGD-VIFPVBQESA-N 0 3 266.301 0.995 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1O ZINC000186854241 388856247 /nfs/dbraw/zinc/85/62/47/388856247.db2.gz QWZVNSIUCGSVET-PWSUYJOCSA-N 0 3 281.312 0.459 20 5 CCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1O ZINC000186857714 388856558 /nfs/dbraw/zinc/85/65/58/388856558.db2.gz OXHHAXNPQOXBQX-UWVGGRQHSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@H]1[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCCN1C ZINC000343597370 389267633 /nfs/dbraw/zinc/26/76/33/389267633.db2.gz HKVMXKIKJSVVSM-VHSXEESVSA-N 0 3 290.327 0.954 20 5 CCBDHN CN1CC[C@H]2CCN(c3ncc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000273706461 389477257 /nfs/dbraw/zinc/47/72/57/389477257.db2.gz DNIJVGKVIJEVTG-GXSJLCMTSA-N 0 3 263.301 0.915 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC1CNC1 ZINC000429603220 389761846 /nfs/dbraw/zinc/76/18/46/389761846.db2.gz FEQNNZMNYMXPOV-UHFFFAOYSA-N 0 3 265.269 0.830 20 5 CCBDHN C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000420332511 389984825 /nfs/dbraw/zinc/98/48/25/389984825.db2.gz GLILEBYJSQXFQP-NSHDSACASA-N 0 3 292.339 0.851 20 5 CCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547763717 390397089 /nfs/dbraw/zinc/39/70/89/390397089.db2.gz ZRBRJNUHVSYCDT-WPRPVWTQSA-N 0 3 281.316 0.730 20 5 CCBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000514679070 390468416 /nfs/dbraw/zinc/46/84/16/390468416.db2.gz WPXCTNARUINAJW-NEPJUHHUSA-N 0 3 290.323 0.651 20 5 CCBDHN C[C@@H](O)CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246249524 131092677 /nfs/dbraw/zinc/09/26/77/131092677.db2.gz JDGBHDLIUZIQSD-BXKDBHETSA-N 0 3 254.286 0.941 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262816686 131264647 /nfs/dbraw/zinc/26/46/47/131264647.db2.gz PGEGDLCFNWTQOC-BDAKNGLRSA-N 0 3 281.316 0.309 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262830274 131265386 /nfs/dbraw/zinc/26/53/86/131265386.db2.gz UVJCZBPEUSDXDF-ZJUUUORDSA-N 0 3 295.343 0.699 20 5 CCBDHN Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)c(N)c([N+](=O)[O-])c1 ZINC000368386445 144222169 /nfs/dbraw/zinc/22/21/69/144222169.db2.gz XILOMRFULDKJGQ-IUCAKERBSA-N 0 3 296.302 0.915 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548962746 286081880 /nfs/dbraw/zinc/08/18/80/286081880.db2.gz WYQWBONHSCQCPK-OIBJUYFYSA-N 0 3 279.300 0.530 20 5 CCBDHN CN1CCC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000548943910 286081091 /nfs/dbraw/zinc/08/10/91/286081091.db2.gz BKCNUFHRTXYAPC-MRVPVSSYSA-N 0 3 267.289 0.390 20 5 CCBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000552285487 286162016 /nfs/dbraw/zinc/16/20/16/286162016.db2.gz PIXRGYKYJXYPHN-MRVPVSSYSA-N 0 3 267.289 0.390 20 5 CCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000575194506 335078869 /nfs/dbraw/zinc/07/88/69/335078869.db2.gz JJIISJNOMYIXCA-CYBMUJFWSA-N 0 3 294.311 0.109 20 5 CCBDHN C[C@@H]1CCN(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000524719842 269789583 /nfs/dbraw/zinc/78/95/83/269789583.db2.gz NGRUWIFBRCIDLZ-LLVKDONJSA-N 0 3 295.343 0.639 20 5 CCBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000332307683 287682685 /nfs/dbraw/zinc/68/26/85/287682685.db2.gz KLQRROJGGAWVNS-GHMZBOCLSA-N 0 3 295.343 0.780 20 5 CCBDHN CN1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)C1 ZINC000292751899 277087684 /nfs/dbraw/zinc/08/76/84/277087684.db2.gz JSGSDQZOCXFWDY-ZDUSSCGKSA-N 0 3 292.343 0.889 20 5 CCBDHN COc1ccc(S(=O)(=O)[N-][C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000111303276 277923112 /nfs/dbraw/zinc/92/31/12/277923112.db2.gz QRVHLIHAYCPHAN-SSDOTTSWSA-N 0 3 289.313 0.229 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000086467452 278843437 /nfs/dbraw/zinc/84/34/37/278843437.db2.gz PBLQRIXESYWHSN-DTWKUNHWSA-N 0 3 266.301 0.756 20 5 CCBDHN CCCN1CCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000164488272 330033887 /nfs/dbraw/zinc/03/38/87/330033887.db2.gz LUPDNJZLBDMDOJ-GFCCVEGCSA-N 0 3 295.343 0.782 20 5 CCBDHN CN(C)CCOCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000543388159 333870694 /nfs/dbraw/zinc/87/06/94/333870694.db2.gz QZXQHSNKVXSTRO-UHFFFAOYSA-N 0 3 282.300 0.298 20 5 CCBDHN CC(C)N1CCC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000581358744 336060156 /nfs/dbraw/zinc/06/01/56/336060156.db2.gz VAUREZSEGJXEPT-SECBINFHSA-N 0 3 281.316 0.921 20 5 CCBDHN C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1 ZINC000417916199 534313721 /nfs/dbraw/zinc/31/37/21/534313721.db2.gz URGZCUIJXBUAAC-ZJUUUORDSA-N 0 3 296.331 0.183 20 5 CCBDHN NC(=O)C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000367982125 526906127 /nfs/dbraw/zinc/90/61/27/526906127.db2.gz HEELZKGVZINUPQ-GWCFXTLKSA-N 0 3 293.323 0.826 20 5 CCBDHN CC(C)N1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000263932474 535238664 /nfs/dbraw/zinc/23/86/64/535238664.db2.gz AYLPQKWBDBYFMQ-MRVPVSSYSA-N 0 3 266.305 0.862 20 5 CCBDHN CC(C)(CCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[N+](=O)[O-] ZINC000822880172 614081484 /nfs/dbraw/zinc/08/14/84/614081484.db2.gz ZCRUOSKBADQCNN-VXGBXAGGSA-N 0 3 299.371 0.801 20 5 CCBDHN CCN1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910284588 615121431 /nfs/dbraw/zinc/12/14/31/615121431.db2.gz RUADZTNAVDBMSS-JTQLQIEISA-N 0 3 295.343 0.885 20 5 CCBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000930442855 616126023 /nfs/dbraw/zinc/12/60/23/616126023.db2.gz ZAYVYGMUNSCWIB-LLVKDONJSA-N 0 3 254.286 0.422 20 5 CCBDHN CO[C@@H]1COC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830103528 616828728 /nfs/dbraw/zinc/82/87/28/616828728.db2.gz UVQILTXAQYRTKY-FRRDWIJNSA-N 0 3 282.296 0.632 20 5 CCBDHN CO[C@H]1CC[C@H]1N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000934114236 617106322 /nfs/dbraw/zinc/10/63/22/617106322.db2.gz GVNGGBDKJKWEEW-MNOVXSKESA-N 0 3 254.290 0.901 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000892141728 622609749 /nfs/dbraw/zinc/60/97/49/622609749.db2.gz CJAVSVHWKBAXAS-NXEZZACHSA-N 0 3 281.316 0.603 20 5 CCBDHN C[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000932345843 624492280 /nfs/dbraw/zinc/49/22/80/624492280.db2.gz IRBNNTGURQNNDA-CMPLNLGQSA-N 0 3 284.316 0.263 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000928433408 631833647 /nfs/dbraw/zinc/83/36/47/631833647.db2.gz TVBWDPOSPFTHQL-OASPWFOLSA-N 0 3 293.323 0.837 20 5 CCBDHN CS(=O)(=O)CCNCCc1ccccc1[N+](=O)[O-] ZINC000062726334 637181077 /nfs/dbraw/zinc/18/10/77/637181077.db2.gz FNMVGHPRGRORDO-UHFFFAOYSA-N 0 3 272.326 0.772 20 5 CCBDHN CC(COC(=O)[C@@H]1Cc2ccccc2C(=O)O1)[N+](=O)[O-] ZINC000813104281 641022640 /nfs/dbraw/zinc/02/26/40/641022640.db2.gz LOFLNEXAIJAEMU-KCJUWKMLSA-N 0 3 279.248 0.977 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)[N+](=O)[O-] ZINC000813108201 641023606 /nfs/dbraw/zinc/02/36/06/641023606.db2.gz VKOUOWYRTDURDQ-VHSXEESVSA-N 0 3 284.312 0.986 20 5 CCBDHN CC(COC(=O)COCc1cccnc1)[N+](=O)[O-] ZINC000813112724 641024825 /nfs/dbraw/zinc/02/48/25/641024825.db2.gz JWZXVOJDTPECAU-VIFPVBQESA-N 0 3 254.242 0.807 20 5 CCBDHN CC(COC(=O)CCNC(=O)Cc1ccccc1)[N+](=O)[O-] ZINC000813112814 641024895 /nfs/dbraw/zinc/02/48/95/641024895.db2.gz LUPALPLAYPRXBK-LLVKDONJSA-N 0 3 294.307 0.944 20 5 CCBDHN CC(COC(=O)CCc1ccc(C(N)=O)cc1)[N+](=O)[O-] ZINC000835453688 642663875 /nfs/dbraw/zinc/66/38/75/642663875.db2.gz GBVPYXRCGVFOKT-VIFPVBQESA-N 0 3 280.280 0.927 20 5 CCBDHN O=[N+]([O-])c1cccc(OCCN2C[C@H](CO)[C@H](CO)C2)c1 ZINC000879693067 647094832 /nfs/dbraw/zinc/09/48/32/647094832.db2.gz XPVANYODTJTGBO-TXEJJXNPSA-N 0 3 296.323 0.506 20 5 CCBDHN NCc1cnnn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001158420296 801640520 /nfs/dbraw/zinc/64/05/20/801640520.db2.gz MCNSXUCYXCLEFY-UHFFFAOYSA-N 0 3 254.637 0.683 20 5 CCBDHN COc1nc(N2CCNC3(CC3)C2)ccc1[N+](=O)[O-] ZINC001158934076 801725529 /nfs/dbraw/zinc/72/55/29/801725529.db2.gz ZIGBCXFKCWXNNE-UHFFFAOYSA-N 0 3 264.285 0.941 20 5 CCBDHN C[C@@H](Nc1nc(Cl)ncc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159488450 801816938 /nfs/dbraw/zinc/81/69/38/801816938.db2.gz DGEYDKCRKXOMDF-HTRCEHHLSA-N 0 3 287.707 0.827 20 5 CCBDHN C[C@@H](Nc1ncc(F)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159494841 801819186 /nfs/dbraw/zinc/81/91/86/801819186.db2.gz AEUUTSJGGPSWDI-GMSGAONNSA-N 0 3 270.264 0.918 20 5 CCBDHN Cc1nn(C)c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001161353270 802136244 /nfs/dbraw/zinc/13/62/44/802136244.db2.gz YKIIAKQBLCBGLM-ZJUUUORDSA-N 0 3 293.327 0.413 20 5 CCBDHN COc1ccc(-n2nc(CN)cc2C)nc1[N+](=O)[O-] ZINC001163978325 802643626 /nfs/dbraw/zinc/64/36/26/802643626.db2.gz YAEZTWHHQLIIPW-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC001126801458 815112604 /nfs/dbraw/zinc/11/26/04/815112604.db2.gz WCFBMMSNUHVPRS-UHFFFAOYSA-N 0 3 289.295 0.838 20 5 CCBDHN O=C(NCCNCc1c(F)cccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001126932209 815308385 /nfs/dbraw/zinc/30/83/85/815308385.db2.gz MHSYGROMPSHXQK-PRHODGIISA-N 0 3 299.277 0.836 20 5 CCBDHN N=c1ncc(CN)cn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997265 836094031 /nfs/dbraw/zinc/09/40/31/836094031.db2.gz YIEXPHGTDOGKHF-SCZZXKLOSA-N 0 3 251.290 0.439 20 5 CCBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCC3(C2)OCCO3)C1 ZINC001169027489 836105955 /nfs/dbraw/zinc/10/59/55/836105955.db2.gz QHKYSRHRTDILPV-QWRGUYRKSA-N 0 3 256.302 0.881 20 5 CCBDHN CN1CCN(C2CN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169042771 836113485 /nfs/dbraw/zinc/11/34/85/836113485.db2.gz FKFKVRVIJXGUQW-QWHCGFSZSA-N 0 3 282.388 0.363 20 5 CCBDHN O=c1[n-]n([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1C[NH2+]CC2 ZINC001169049638 836116900 /nfs/dbraw/zinc/11/69/00/836116900.db2.gz XDIAKWMEONWOFH-BDAKNGLRSA-N 0 3 266.301 0.852 20 5 CCBDHN COC(=O)c1ncc([N+](=O)[O-])cc1-n1ccc([C@H](C)N)n1 ZINC001169237859 836171679 /nfs/dbraw/zinc/17/16/79/836171679.db2.gz RGXCJCRIMQONML-ZETCQYMHSA-N 0 3 291.267 0.982 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1-n1nncc1CN ZINC001169309838 836210094 /nfs/dbraw/zinc/21/00/94/836210094.db2.gz LIMPRMBKFFBUNW-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN CN1Cc2cc(-n3nncc3CN)cc([N+](=O)[O-])c2N1 ZINC001169311582 836211857 /nfs/dbraw/zinc/21/18/57/836211857.db2.gz LBYBUGMEJSNVHH-UHFFFAOYSA-N 0 3 275.272 0.407 20 5 CCBDHN COc1cc(N[C@@H](C)[C@H]2CNCCO2)cnc1[N+](=O)[O-] ZINC001170570236 838141394 /nfs/dbraw/zinc/14/13/94/838141394.db2.gz KYQLZRUVQIMOTA-GZMMTYOYSA-N 0 3 282.300 0.787 20 5 CCBDHN NCc1cnnn1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001158420378 838153144 /nfs/dbraw/zinc/15/31/44/838153144.db2.gz PQOWFTZQSHWZFH-UHFFFAOYSA-N 0 3 290.070 0.731 20 5 CCBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1CNCCO1 ZINC001159496275 839313873 /nfs/dbraw/zinc/31/38/73/839313873.db2.gz IRHIZVILPDLMAF-XVKPBYJWSA-N 0 3 270.264 0.918 20 5 CCBDHN CN(C)CCn1nccc1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001177810258 842685727 /nfs/dbraw/zinc/68/57/27/842685727.db2.gz LYPBTZXWCBIUQQ-UHFFFAOYSA-N 0 3 293.287 0.328 20 5 CCBDHN Cc1n[n-]c(C(=O)NCC[NH+]2CC=CC2)c1[N+](=O)[O-] ZINC001323481065 899435471 /nfs/dbraw/zinc/43/54/71/899435471.db2.gz DHCBENAIGUWPOT-UHFFFAOYSA-N 0 3 265.273 0.228 20 5 CCBDHN CNS(=O)(=O)CCCNCc1cccc([N+](=O)[O-])c1 ZINC001308487121 908417107 /nfs/dbraw/zinc/41/71/07/908417107.db2.gz TWCUPLRZJGXKJV-UHFFFAOYSA-N 0 3 287.341 0.624 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCCCC1 ZINC001333287887 918778847 /nfs/dbraw/zinc/77/88/47/918778847.db2.gz BIHIMLGDTQIAMD-UHFFFAOYSA-N 0 3 295.343 0.702 20 5 CCBDHN O=C(N[C@H]1COC2(CNC2)C1)c1csc([N+](=O)[O-])c1 ZINC001342214180 922863393 /nfs/dbraw/zinc/86/33/93/922863393.db2.gz BVCKQQBBNKXSRW-MRVPVSSYSA-N 0 3 283.309 0.517 20 5 CCBDHN CCn1c(C[N+](=O)[O-])nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001342650888 923039657 /nfs/dbraw/zinc/03/96/57/923039657.db2.gz HQJVPZDXECAHLU-MNOVXSKESA-N 0 3 296.375 0.994 20 5 CCBDHN Cc1ccc(C(=O)NCC(=O)OCC(C)[N+](=O)[O-])s1 ZINC001343371384 923284919 /nfs/dbraw/zinc/28/49/19/923284919.db2.gz KSATXCKLIUKOGM-SSDOTTSWSA-N 0 3 286.309 0.995 20 5 CCBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000093333561 349538997 /nfs/dbraw/zinc/53/89/97/349538997.db2.gz YJQSZEKYXUECHZ-JQWIXIFHSA-N 0 3 281.312 0.459 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](O)C2)c1 ZINC000113503489 349813245 /nfs/dbraw/zinc/81/32/45/349813245.db2.gz KDMMQNUZPOQUKW-NWDGAFQWSA-N 0 3 282.296 0.401 20 5 CCBDHN CN1CC[C@@](O)(CNCc2csc([N+](=O)[O-])c2)C1 ZINC000358167534 529800669 /nfs/dbraw/zinc/80/06/69/529800669.db2.gz MTFNLDKIZOINEZ-LLVKDONJSA-N 0 3 271.342 0.813 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCC[C@H]1O ZINC000426203307 529939454 /nfs/dbraw/zinc/93/94/54/529939454.db2.gz JYKYSMIHLJZMBC-CHWSQXEVSA-N 0 3 295.339 0.992 20 5 CCBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000118494683 349903408 /nfs/dbraw/zinc/90/34/08/349903408.db2.gz DROFJZWUCUFWKH-SECBINFHSA-N 0 3 295.343 0.952 20 5 CCBDHN Cc1ccnc(NC[C@@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000358322691 232080850 /nfs/dbraw/zinc/08/08/50/232080850.db2.gz RVALZYMERRQSBL-LBPRGKRZSA-N 0 3 266.301 0.777 20 5 CCBDHN Cn1cc(CN[C@@H](CO)C2CCCC2)c([N+](=O)[O-])n1 ZINC000602838808 362827896 /nfs/dbraw/zinc/82/78/96/362827896.db2.gz SMGLZBHGRYMCEB-NSHDSACASA-N 0 3 268.317 0.969 20 5 CCBDHN CC(C)[C@](C)(CO)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602840271 362829888 /nfs/dbraw/zinc/82/98/88/362829888.db2.gz YSCMOABESSKUJK-NSHDSACASA-N 0 3 256.306 0.825 20 5 CCBDHN Cn1cc(CN2CC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])n1 ZINC000602840496 362829925 /nfs/dbraw/zinc/82/99/25/362829925.db2.gz NNQRTLQXUQYOOH-GXSJLCMTSA-N 0 3 265.317 0.464 20 5 CCBDHN C[C@H](CN(C)C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000343794742 137158072 /nfs/dbraw/zinc/15/80/72/137158072.db2.gz PPFMZRKRNPPFHX-SSDOTTSWSA-N 0 3 267.289 0.451 20 5 CCBDHN CCN1CCN(CCNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000029585635 348112907 /nfs/dbraw/zinc/11/29/07/348112907.db2.gz PVONGNDCZCOKBU-UHFFFAOYSA-N 0 3 282.348 0.378 20 5 CCBDHN CN(C)CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000034079738 348148733 /nfs/dbraw/zinc/14/87/33/348148733.db2.gz GIBBLMSVPKGANE-UHFFFAOYSA-N 0 3 263.253 0.752 20 5 CCBDHN C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N(C)C ZINC000347017322 137316074 /nfs/dbraw/zinc/31/60/74/137316074.db2.gz SVLJGWMUFXADHG-SSDOTTSWSA-N 0 3 255.278 0.008 20 5 CCBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000347605687 137345115 /nfs/dbraw/zinc/34/51/15/137345115.db2.gz ZUNNYFOZDOALRM-UHFFFAOYSA-N 0 3 279.344 0.461 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000057705465 348614563 /nfs/dbraw/zinc/61/45/63/348614563.db2.gz OMAZYBQEBUDUAF-SECBINFHSA-N 0 3 295.343 0.699 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCN(C)C)c1 ZINC000075481378 349034608 /nfs/dbraw/zinc/03/46/08/349034608.db2.gz NMMPNVGQVHOOPG-UHFFFAOYSA-N 0 3 269.257 0.105 20 5 CCBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)CN1 ZINC000086467733 349339598 /nfs/dbraw/zinc/33/95/98/349339598.db2.gz DBBYYYIPDXXTQE-YUMQZZPRSA-N 0 3 252.274 0.745 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000105326748 186053171 /nfs/dbraw/zinc/05/31/71/186053171.db2.gz VLZYJKCJFMFUJV-LLVKDONJSA-N 0 3 295.343 0.652 20 5 CCBDHN NC1(C(=O)NCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000132245575 350301752 /nfs/dbraw/zinc/30/17/52/350301752.db2.gz VAFZRCSDLQEAMG-UHFFFAOYSA-N 0 3 279.296 0.719 20 5 CCBDHN C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N(C)C1CC1 ZINC000132314436 350303913 /nfs/dbraw/zinc/30/39/13/350303913.db2.gz RTTJAKIZDYRJSQ-SSDOTTSWSA-N 0 3 267.289 0.530 20 5 CCBDHN CCc1nn(C)c(NC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC000134265836 350359112 /nfs/dbraw/zinc/35/91/12/350359112.db2.gz SHDQSLGMPJLXOD-MRVPVSSYSA-N 0 3 269.305 0.291 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000135535625 350401353 /nfs/dbraw/zinc/40/13/53/350401353.db2.gz XUWONJZUSLHRJT-NWDGAFQWSA-N 0 3 298.368 0.998 20 5 CCBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000144593710 350463931 /nfs/dbraw/zinc/46/39/31/350463931.db2.gz CGXFMPDELJJNNS-UHFFFAOYSA-N 0 3 252.274 0.747 20 5 CCBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000171809144 350935686 /nfs/dbraw/zinc/93/56/86/350935686.db2.gz ACXSKMYDMBCTNZ-MRVPVSSYSA-N 0 3 281.316 0.656 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC(n3cncn3)CC2)n1 ZINC000176221623 351162348 /nfs/dbraw/zinc/16/23/48/351162348.db2.gz UMBVLQLVLWRISX-UHFFFAOYSA-N 0 3 291.315 0.720 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]([C@H](C)O)C1 ZINC000228169361 352070116 /nfs/dbraw/zinc/07/01/16/352070116.db2.gz DEFQYQBDYOUCAE-ONGXEEELSA-N 0 3 268.317 0.802 20 5 CCBDHN CN(C)CCOCCNc1ncccc1[N+](=O)[O-] ZINC000226738289 352033295 /nfs/dbraw/zinc/03/32/95/352033295.db2.gz ITWHWXINIBLCND-UHFFFAOYSA-N 0 3 254.290 0.980 20 5 CCBDHN CC(C)(N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000236783129 352213630 /nfs/dbraw/zinc/21/36/30/352213630.db2.gz MLIHBXGROXWRON-VIFPVBQESA-N 0 3 293.327 0.740 20 5 CCBDHN CN(C[C@@H]1CCCN(C)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000265258594 352628803 /nfs/dbraw/zinc/62/88/03/352628803.db2.gz XWWASQQORWJTNX-SECBINFHSA-N 0 3 280.332 0.745 20 5 CCBDHN CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000270887873 352999411 /nfs/dbraw/zinc/99/94/11/352999411.db2.gz KXOWXZIMNPOOFN-ONGXEEELSA-N 0 3 254.290 0.494 20 5 CCBDHN CNC(=O)CCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000155015816 188176658 /nfs/dbraw/zinc/17/66/58/188176658.db2.gz YIMGEBRQHHNWHJ-UHFFFAOYSA-N 0 3 269.305 0.249 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1C ZINC000277466313 353244864 /nfs/dbraw/zinc/24/48/64/353244864.db2.gz JIWTZEDEVFFFPN-SFYZADRCSA-N 0 3 252.274 0.745 20 5 CCBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)C1 ZINC000294025814 353861586 /nfs/dbraw/zinc/86/15/86/353861586.db2.gz ZKESNCDSDUPLGR-LBPRGKRZSA-N 0 3 279.300 0.486 20 5 CCBDHN C[C@@H]1[C@H](O)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000296305466 353940798 /nfs/dbraw/zinc/94/07/98/353940798.db2.gz PNBIUOBGCVFTSV-MWLCHTKSSA-N 0 3 254.290 0.637 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCC[C@H]1CCO ZINC000330582410 354424140 /nfs/dbraw/zinc/42/41/40/354424140.db2.gz SGKWSIAQRLBMQJ-VHSXEESVSA-N 0 3 268.317 0.969 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1CO ZINC000362079638 138045780 /nfs/dbraw/zinc/04/57/80/138045780.db2.gz UXODZSAJQUJHPX-QWRGUYRKSA-N 0 3 281.312 0.317 20 5 CCBDHN CC[C@H](CN1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000609833435 363518692 /nfs/dbraw/zinc/51/86/92/363518692.db2.gz JXQZCIIALLXLSJ-LLVKDONJSA-N 0 3 295.343 0.782 20 5 CCBDHN CC[C@@H](CN1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000609833436 363518748 /nfs/dbraw/zinc/51/87/48/363518748.db2.gz JXQZCIIALLXLSJ-NSHDSACASA-N 0 3 295.343 0.782 20 5 CCBDHN C[C@@H]1CCN(C)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357539573 356771673 /nfs/dbraw/zinc/77/16/73/356771673.db2.gz SLSNNILBWJSBSB-SECBINFHSA-N 0 3 293.327 0.619 20 5 CCBDHN CC[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1O ZINC000400031719 357785635 /nfs/dbraw/zinc/78/56/35/357785635.db2.gz IXPIQNARRUIIJV-QWRGUYRKSA-N 0 3 268.317 0.802 20 5 CCBDHN C[C@H](NC[C@@]1(O)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294746411 199164043 /nfs/dbraw/zinc/16/40/43/199164043.db2.gz LSGXHNDLWWLRKI-ZANVPECISA-N 0 3 281.312 0.979 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000588863815 359343931 /nfs/dbraw/zinc/34/39/31/359343931.db2.gz VTISBMXDCBMJGA-LLVKDONJSA-N 0 3 281.312 0.176 20 5 CCBDHN CN(C)C/C=C\C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000492199759 237103349 /nfs/dbraw/zinc/10/33/49/237103349.db2.gz ZBTIEPSWGGFKBS-ARJAWSKDSA-N 0 3 267.289 0.025 20 5 CCBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000591981534 359718756 /nfs/dbraw/zinc/71/87/56/359718756.db2.gz BYBJJHAPRSFDIN-SNVBAGLBSA-N 0 3 293.327 0.546 20 5 CCBDHN CC1(C)CN[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592230072 359803620 /nfs/dbraw/zinc/80/36/20/359803620.db2.gz OPZVIOFWRDBRKJ-SNVBAGLBSA-N 0 3 289.295 0.830 20 5 CCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000592555556 359886518 /nfs/dbraw/zinc/88/65/18/359886518.db2.gz ZHOYRRUDWQEXTC-YUMQZZPRSA-N 0 3 282.275 0.607 20 5 CCBDHN CN(C)CCN(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000176810143 189010355 /nfs/dbraw/zinc/01/03/55/189010355.db2.gz PIZZCHWTDRZKDQ-UHFFFAOYSA-N 0 3 281.312 0.994 20 5 CCBDHN N[C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000594694871 360360207 /nfs/dbraw/zinc/36/02/07/360360207.db2.gz WYDTXXUAWPNISQ-SFYZADRCSA-N 0 3 282.325 0.405 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595260550 360463594 /nfs/dbraw/zinc/46/35/94/360463594.db2.gz CLWRGWGVAANYTI-GHMZBOCLSA-N 0 3 282.275 0.810 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@]1(C)CO ZINC000595876374 360688683 /nfs/dbraw/zinc/68/86/83/360688683.db2.gz SLQHWFPGTQCOGF-CMPLNLGQSA-N 0 3 268.317 0.742 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1C[C@H](O)C1 ZINC000596066947 360786556 /nfs/dbraw/zinc/78/65/56/360786556.db2.gz HYQJQWHEQVSNOP-DCAQKATOSA-N 0 3 282.296 0.447 20 5 CCBDHN CNc1nccc(C(=O)NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000563547001 291237414 /nfs/dbraw/zinc/23/74/14/291237414.db2.gz NEKUJFMHVVOIHC-VIFPVBQESA-N 0 3 293.327 0.135 20 5 CCBDHN CN(CCC[NH+](C)C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596425924 360891257 /nfs/dbraw/zinc/89/12/57/360891257.db2.gz YQFYTPUNJONCEG-UHFFFAOYSA-N 0 3 297.359 0.991 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCOC2(CNC2)C1 ZINC000596576988 360923447 /nfs/dbraw/zinc/92/34/47/360923447.db2.gz CBLZXUKTGJJLQE-UHFFFAOYSA-N 0 3 267.241 0.002 20 5 CCBDHN C[C@@H](CO)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179513956 189199166 /nfs/dbraw/zinc/19/91/66/189199166.db2.gz FTGYYZOYYCSUJT-CABZTGNLSA-N 0 3 254.286 0.941 20 5 CCBDHN NC[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598916456 361531471 /nfs/dbraw/zinc/53/14/71/361531471.db2.gz YZLYOHSVEXKIML-NSHDSACASA-N 0 3 292.295 0.387 20 5 CCBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCNCC1 ZINC000564982705 291330603 /nfs/dbraw/zinc/33/06/03/291330603.db2.gz IDMPIQROTKYACU-UHFFFAOYSA-N 0 3 293.279 0.759 20 5 CCBDHN C[C@@H]1CN(C)[C@@H](C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000330592978 203012771 /nfs/dbraw/zinc/01/27/71/203012771.db2.gz PNGQWWKCSHRMJR-WDEREUQCSA-N 0 3 267.333 0.816 20 5 CCBDHN CN(CCN1CCCC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000567288805 291472966 /nfs/dbraw/zinc/47/29/66/291472966.db2.gz ZETKMLHMIFVYRT-UHFFFAOYSA-N 0 3 293.327 0.570 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000330888996 203356422 /nfs/dbraw/zinc/35/64/22/203356422.db2.gz AXQRPTRPMREKLS-KOLCDFICSA-N 0 3 295.343 0.699 20 5 CCBDHN CN(CCCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000276231654 193251951 /nfs/dbraw/zinc/25/19/51/193251951.db2.gz CRUKUPVVXYCHKN-UHFFFAOYSA-N 0 3 269.301 0.461 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCN2C[C@H](CO)[C@H](O)C2)cc1 ZINC000459681867 249053205 /nfs/dbraw/zinc/05/32/05/249053205.db2.gz DQSMDNMPOGGLSO-ZWNOBZJWSA-N 0 3 282.296 0.259 20 5 CCBDHN CO[C@@H]1COC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000459823258 249065349 /nfs/dbraw/zinc/06/53/49/249065349.db2.gz JAJLRWXZMRVXBE-GXFFZTMASA-N 0 3 282.296 0.977 20 5 CCBDHN CC[C@H]1CN(C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000514857858 249108357 /nfs/dbraw/zinc/10/83/57/249108357.db2.gz WLBURCRPNTWORS-NSHDSACASA-N 0 3 267.333 0.817 20 5 CCBDHN CC(C(=O)NCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000048737292 388901886 /nfs/dbraw/zinc/90/18/86/388901886.db2.gz LNPUZBFGGBULIZ-QMMMGPOBSA-N 0 3 286.309 0.644 20 5 CCBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCCNC2)c1 ZINC000193353274 389067695 /nfs/dbraw/zinc/06/76/95/389067695.db2.gz BGCBCJKHAVRUBQ-NSHDSACASA-N 0 3 299.352 0.766 20 5 CCBDHN COCCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272951006 389471343 /nfs/dbraw/zinc/47/13/43/389471343.db2.gz PWTUNUIFWBANGB-LLVKDONJSA-N 0 3 284.312 0.913 20 5 CCBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1 ZINC000180558252 389671841 /nfs/dbraw/zinc/67/18/41/389671841.db2.gz AYZWRMXRNNHBRM-UHFFFAOYSA-N 0 3 293.327 0.786 20 5 CCBDHN C[C@@H]1NCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1C ZINC000379491802 389761924 /nfs/dbraw/zinc/76/19/24/389761924.db2.gz HXUAYQQGUSPMSC-YUMQZZPRSA-N 0 3 252.274 0.745 20 5 CCBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCOC1 ZINC000352194897 389768803 /nfs/dbraw/zinc/76/88/03/389768803.db2.gz MLLYMOYTRPXNNT-CMPLNLGQSA-N 0 3 284.316 0.263 20 5 CCBDHN C[C@H]1COCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000433152601 389901346 /nfs/dbraw/zinc/90/13/46/389901346.db2.gz RYOITPXCIQZJMK-DTWKUNHWSA-N 0 3 254.290 0.843 20 5 CCBDHN C[C@H]1CNCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000420221416 389967576 /nfs/dbraw/zinc/96/75/76/389967576.db2.gz ZIFALUYHVGBASO-QMMMGPOBSA-N 0 3 262.273 0.436 20 5 CCBDHN C[C@]1(F)CNCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000420335106 389985158 /nfs/dbraw/zinc/98/51/58/389985158.db2.gz PBKNHJKMXAFVJG-NSHDSACASA-N 0 3 271.296 0.425 20 5 CCBDHN CC(C)N1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000450951725 389999332 /nfs/dbraw/zinc/99/93/32/389999332.db2.gz QJUNAPXFHZDXPP-VIFPVBQESA-N 0 3 280.332 0.716 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2OCC[C@@H]2C1 ZINC000579118796 390143397 /nfs/dbraw/zinc/14/33/97/390143397.db2.gz IDBCNZFFSFVGEX-YPMHNXCESA-N 0 3 293.323 0.867 20 5 CCBDHN CN(C)[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000579668820 390195915 /nfs/dbraw/zinc/19/59/15/390195915.db2.gz BFASYVWUDCCIFC-STQMWFEESA-N 0 3 295.339 0.580 20 5 CCBDHN C[C@@]1(CO)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000546101925 390345375 /nfs/dbraw/zinc/34/53/75/390345375.db2.gz IGGLQYSHLDNUQS-NSHDSACASA-N 0 3 254.290 0.638 20 5 CCBDHN COCCNCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000237280448 131020402 /nfs/dbraw/zinc/02/04/02/131020402.db2.gz WAJWZLPJDRARSS-UHFFFAOYSA-N 0 3 297.311 0.326 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCNC[C@@H]2C)c1[N+](=O)[O-] ZINC000269221436 132135179 /nfs/dbraw/zinc/13/51/79/132135179.db2.gz SNATXQXONKTTQZ-LURJTMIESA-N 0 3 253.262 0.060 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCNC[C@@H]2C)c1[N+](=O)[O-] ZINC000269221436 132135181 /nfs/dbraw/zinc/13/51/81/132135181.db2.gz SNATXQXONKTTQZ-LURJTMIESA-N 0 3 253.262 0.060 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000356732576 144028412 /nfs/dbraw/zinc/02/84/12/144028412.db2.gz RZBWQYDGIRATAK-GXSJLCMTSA-N 0 3 293.327 0.495 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000358064629 144148727 /nfs/dbraw/zinc/14/87/27/144148727.db2.gz LHMUSUXDQYKCIO-CQSZACIVSA-N 0 3 293.323 0.320 20 5 CCBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000285537399 196319490 /nfs/dbraw/zinc/31/94/90/196319490.db2.gz PPHYCRBNAKTNIK-LLVKDONJSA-N 0 3 296.323 0.791 20 5 CCBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000521361189 260086121 /nfs/dbraw/zinc/08/61/21/260086121.db2.gz PZYOVDAWPRBFJD-UHFFFAOYSA-N 0 3 264.285 0.814 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(CCO)CC2)c1 ZINC000525783809 262233104 /nfs/dbraw/zinc/23/31/04/262233104.db2.gz ZAKMYIWICYSTRT-ZDUSSCGKSA-N 0 3 298.343 0.247 20 5 CCBDHN CC(C)C[C@@H](CN(C)C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000068224227 278969552 /nfs/dbraw/zinc/96/95/52/278969552.db2.gz MASJPCYKZWIOQQ-NSHDSACASA-N 0 3 297.359 0.884 20 5 CCBDHN NC1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000583082444 329311720 /nfs/dbraw/zinc/31/17/20/329311720.db2.gz XMTAGZNPFFPASB-UHFFFAOYSA-N 0 3 279.296 0.971 20 5 CCBDHN CCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000386488473 336175504 /nfs/dbraw/zinc/17/55/04/336175504.db2.gz XEUSAHIGHMDVHD-JTQLQIEISA-N 0 3 255.274 0.069 20 5 CCBDHN C[C@@H]1CCN[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000423893032 534107443 /nfs/dbraw/zinc/10/74/43/534107443.db2.gz COSYGZSJLDDSLH-KOLCDFICSA-N 0 3 281.316 0.296 20 5 CCBDHN COCCN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000068336853 523590349 /nfs/dbraw/zinc/59/03/49/523590349.db2.gz UBSZTTLKTUNVEG-UHFFFAOYSA-N 0 3 295.339 0.832 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000157361494 526552095 /nfs/dbraw/zinc/55/20/95/526552095.db2.gz CCTTZSBMODVCMM-VIFPVBQESA-N 0 3 299.714 0.966 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000157368622 526622876 /nfs/dbraw/zinc/62/28/76/526622876.db2.gz UIFDWXOODYOCDE-LLVKDONJSA-N 0 3 283.259 0.452 20 5 CCBDHN COc1ccc(OC(=O)C2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000792114284 581248341 /nfs/dbraw/zinc/24/83/41/581248341.db2.gz WFLVAVHEZOGDGG-VIFPVBQESA-N 0 3 294.263 0.987 20 5 CCBDHN C[C@@H]1CCCN1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000783920014 581367577 /nfs/dbraw/zinc/36/75/77/581367577.db2.gz XMUGOOHBBQKTPT-SECBINFHSA-N 0 3 281.316 0.542 20 5 CCBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1C(C)C ZINC000797284455 581463823 /nfs/dbraw/zinc/46/38/23/581463823.db2.gz XSOIAOLAFGBAPO-ZETCQYMHSA-N 0 3 256.262 0.989 20 5 CCBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@H](CO)C2)cc1 ZINC000776584042 582080959 /nfs/dbraw/zinc/08/09/59/582080959.db2.gz JBPRJLSDGTUQSR-MFKMUULPSA-N 0 3 266.297 0.942 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(NCCN(C)CCO)c1 ZINC000884824839 617282504 /nfs/dbraw/zinc/28/25/04/617282504.db2.gz RBCUQOYYGGUZKO-UHFFFAOYSA-N 0 3 269.301 0.939 20 5 CCBDHN CC(C)(CCC(=O)NC[C@H]1CN2CCC[C@H]2CO1)[N+](=O)[O-] ZINC000822880171 614081637 /nfs/dbraw/zinc/08/16/37/614081637.db2.gz ZCRUOSKBADQCNN-RYUDHWBXSA-N 0 3 299.371 0.801 20 5 CCBDHN CC(C)([NH3+])CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735670977 614163045 /nfs/dbraw/zinc/16/30/45/614163045.db2.gz IHZRQHGFRRZSAE-UHFFFAOYSA-N 0 3 277.288 0.924 20 5 CCBDHN CC(C)([NH3+])CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735670977 614163046 /nfs/dbraw/zinc/16/30/46/614163046.db2.gz IHZRQHGFRRZSAE-UHFFFAOYSA-N 0 3 277.288 0.924 20 5 CCBDHN CCNCC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000818461531 615079744 /nfs/dbraw/zinc/07/97/44/615079744.db2.gz DJZOOYTUDSUNSN-UHFFFAOYSA-N 0 3 281.268 0.929 20 5 CCBDHN CN(C)CCONC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000854945085 615908716 /nfs/dbraw/zinc/90/87/16/615908716.db2.gz AHBYKKMZCVPQAC-UHFFFAOYSA-N 0 3 254.246 0.213 20 5 CCBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000874842585 616199754 /nfs/dbraw/zinc/19/97/54/616199754.db2.gz JACRHIIWVDRYLI-GHMZBOCLSA-N 0 3 293.327 0.486 20 5 CCBDHN CN1CCN(c2ccc(CNCC[N+](=O)[O-])cn2)CC1 ZINC000929586441 616247162 /nfs/dbraw/zinc/24/71/62/616247162.db2.gz MDHSMPSLSTZUOI-UHFFFAOYSA-N 0 3 279.344 0.200 20 5 CCBDHN COCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)(C)C1 ZINC000844949060 616364572 /nfs/dbraw/zinc/36/45/72/616364572.db2.gz LBAFCZFWEOCHFY-GHMZBOCLSA-N 0 3 285.344 0.221 20 5 CCBDHN COCC1(C(=O)OCC(C)[N+](=O)[O-])CCOCC1 ZINC000813106946 616753055 /nfs/dbraw/zinc/75/30/55/616753055.db2.gz IKQOOHPVQTVJOD-VIFPVBQESA-N 0 3 261.274 0.638 20 5 CCBDHN CNC(=O)c1cncc(/C=C/C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813109392 616926002 /nfs/dbraw/zinc/92/60/02/616926002.db2.gz JSMHLKWYNFSEAB-CDAZIORVSA-N 0 3 293.279 0.663 20 5 CCBDHN CC(COC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)[N+](=O)[O-] ZINC000813104997 624649218 /nfs/dbraw/zinc/64/92/18/624649218.db2.gz IZACQOPEXJIWHB-FSDSQADBSA-N 0 3 298.217 0.652 20 5 CCBDHN COc1ccc(NC(=O)CNC(C)(C)CO)c([N+](=O)[O-])c1 ZINC000916572300 637907328 /nfs/dbraw/zinc/90/73/28/637907328.db2.gz AUHDDOYKCWFKEP-UHFFFAOYSA-N 0 3 297.311 0.902 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[N+](=O)[O-] ZINC000813109630 641023019 /nfs/dbraw/zinc/02/30/19/641023019.db2.gz NHIGKYLSOHWPNP-RNFRBKRXSA-N 0 3 298.217 0.606 20 5 CCBDHN CC(COC(=O)CCn1cc([N+](=O)[O-])cn1)[N+](=O)[O-] ZINC000813107985 641023405 /nfs/dbraw/zinc/02/34/05/641023405.db2.gz ZWJUEWJQSIFHOK-SSDOTTSWSA-N 0 3 272.217 0.390 20 5 CCBDHN CC(COC(=O)c1ncn(C(C)(C)C)n1)[N+](=O)[O-] ZINC000813111015 641024256 /nfs/dbraw/zinc/02/42/56/641024256.db2.gz AIWMYRFNEGUTFQ-ZETCQYMHSA-N 0 3 256.262 0.855 20 5 CCBDHN CC(COC(=O)c1ccc2c(c1)OCC(=O)N2)[N+](=O)[O-] ZINC000813112949 641024581 /nfs/dbraw/zinc/02/45/81/641024581.db2.gz MMYANUCYNFUJCC-ZETCQYMHSA-N 0 3 280.236 0.840 20 5 CCBDHN Cc1nn(C)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112274 641024672 /nfs/dbraw/zinc/02/46/72/641024672.db2.gz OWGZDTWZGNJBMI-ZETCQYMHSA-N 0 3 255.274 0.788 20 5 CCBDHN C[S@@](=O)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032209 641375079 /nfs/dbraw/zinc/37/50/79/641375079.db2.gz DDTNXTGFUWJHKB-BBATYDOGSA-N 0 3 272.326 0.596 20 5 CCBDHN CC(COC(=O)c1noc2c1COCC2)[N+](=O)[O-] ZINC000857853173 644566634 /nfs/dbraw/zinc/56/66/34/644566634.db2.gz MZKWXVQDHHIFQS-LURJTMIESA-N 0 3 256.214 0.569 20 5 CCBDHN Cc1conc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139505 651043557 /nfs/dbraw/zinc/04/35/57/651043557.db2.gz BOFNJVLEYSEPSD-DNRKLUKYSA-N 0 3 294.311 0.385 20 5 CCBDHN C[C@H]1COCCN1C1CCN(CC[N+](=O)[O-])CC1 ZINC000930529631 648872406 /nfs/dbraw/zinc/87/24/06/648872406.db2.gz ZGXYRZWBNSYGBT-NSHDSACASA-N 0 3 257.334 0.448 20 5 CCBDHN Cc1ccc(C(=O)N[C@H]2COC3(CNC3)C2)cc1[N+](=O)[O-] ZINC001122064388 799133382 /nfs/dbraw/zinc/13/33/82/799133382.db2.gz XFHNLFZBTZYTNW-LLVKDONJSA-N 0 3 291.307 0.764 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1-n1nc(CN)cc1C ZINC001156038278 801098717 /nfs/dbraw/zinc/09/87/17/801098717.db2.gz JONWMVCIRIXWFX-UHFFFAOYSA-N 0 3 291.267 0.729 20 5 CCBDHN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCNC2(CC2)C1 ZINC001158936653 801725021 /nfs/dbraw/zinc/72/50/21/801725021.db2.gz MUJYMWOVWLZTES-UHFFFAOYSA-N 0 3 284.703 0.824 20 5 CCBDHN Cc1cccc(N(C)S(=O)(=O)CCN)c1[N+](=O)[O-] ZINC001164296729 802711365 /nfs/dbraw/zinc/71/13/65/802711365.db2.gz NHFXFTCJYIWGOI-UHFFFAOYSA-N 0 3 273.314 0.628 20 5 CCBDHN COc1nc(C)c([N+](=O)[O-])c(-n2cnc3c2CNCC3)n1 ZINC001164313970 802721128 /nfs/dbraw/zinc/72/11/28/802721128.db2.gz YBSODQYYSOOGGH-UHFFFAOYSA-N 0 3 290.283 0.533 20 5 CCBDHN COc1nc(N2CC[C@@H]3NCCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165269674 802808757 /nfs/dbraw/zinc/80/87/57/802808757.db2.gz RFQLOXDQJAFSCT-ONGXEEELSA-N 0 3 294.311 0.566 20 5 CCBDHN Cc1nc(N2CC[C@@H]3NCCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165274550 802810610 /nfs/dbraw/zinc/81/06/10/802810610.db2.gz OJQLFNVOBYQEPQ-ONGXEEELSA-N 0 3 279.300 0.260 20 5 CCBDHN CCN(OC)C(=O)CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001206420741 803240554 /nfs/dbraw/zinc/24/05/54/803240554.db2.gz SDKBWCXXTHTMLC-UHFFFAOYSA-N 0 3 297.315 0.494 20 5 CCBDHN CS(=O)(=O)CCN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566112 808260037 /nfs/dbraw/zinc/26/00/37/808260037.db2.gz HXJTUGFVIWHNOR-NSHDSACASA-N 0 3 284.337 0.696 20 5 CCBDHN CN(C)C(=O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567870 808261344 /nfs/dbraw/zinc/26/13/44/808261344.db2.gz QIOAIBLOLUBYSO-LLVKDONJSA-N 0 3 263.297 0.740 20 5 CCBDHN CCOC(=O)c1cnc(-n2cnc(CN)c2)c([N+](=O)[O-])c1 ZINC001162297289 818750269 /nfs/dbraw/zinc/75/02/69/818750269.db2.gz YWFMXYWARJQXPZ-UHFFFAOYSA-N 0 3 291.267 0.811 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)CCN(C)C ZINC001163590297 820147888 /nfs/dbraw/zinc/14/78/88/820147888.db2.gz PQTNIYJMCNTXMA-UHFFFAOYSA-N 0 3 254.290 0.534 20 5 CCBDHN CCOC(=O)CC1(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)COC1 ZINC001168978437 836076962 /nfs/dbraw/zinc/07/69/62/836076962.db2.gz SDVPUJDDKBHZLE-GHMZBOCLSA-N 0 3 286.328 0.744 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@]3(CCOC3)C2)C1 ZINC001169013073 836098596 /nfs/dbraw/zinc/09/85/96/836098596.db2.gz TXDLUPRMNKSMGL-FRRDWIJNSA-N 0 3 270.329 0.923 20 5 CCBDHN NCc1cnnn1-c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001169308410 836209038 /nfs/dbraw/zinc/20/90/38/836209038.db2.gz LWEBSYRAVALGOC-UHFFFAOYSA-N 0 3 289.230 0.717 20 5 CCBDHN NCc1cnnn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001158422984 838153833 /nfs/dbraw/zinc/15/38/33/838153833.db2.gz LCLNMVWBMPHIOG-UHFFFAOYSA-N 0 3 259.229 0.511 20 5 CCBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1nncc1CN ZINC001158422551 838156634 /nfs/dbraw/zinc/15/66/34/838156634.db2.gz AYHBCGRZPTXWQL-UHFFFAOYSA-N 0 3 292.255 0.206 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000716713558 841674470 /nfs/dbraw/zinc/67/44/70/841674470.db2.gz LZYNDTZUEJIVTO-QMMMGPOBSA-N 0 3 285.275 0.386 20 5 CCBDHN C[C@@H](O)[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000717285976 848217449 /nfs/dbraw/zinc/21/74/49/848217449.db2.gz ADRCDAZXSSDTLQ-SBMIAAHKSA-N 0 3 254.286 0.987 20 5 CCBDHN CN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001307225996 908299053 /nfs/dbraw/zinc/29/90/53/908299053.db2.gz VTHQYLRJHFKZDI-VIFPVBQESA-N 0 3 293.327 0.985 20 5 CCBDHN NC(=O)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC001308316760 908406889 /nfs/dbraw/zinc/40/68/89/908406889.db2.gz SQFISNNBHNOVON-UHFFFAOYSA-N 0 3 289.295 0.680 20 5 CCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CN2CCC1CC2 ZINC001347292419 924415033 /nfs/dbraw/zinc/41/50/33/924415033.db2.gz NFPAFXLUERADTO-LBPRGKRZSA-N 0 3 293.327 0.392 20 5 CCBDHN CC[C@@](C)(NCCn1cc([N+](=O)[O-])ccc1=O)C(N)=O ZINC000090559284 349438817 /nfs/dbraw/zinc/43/88/17/349438817.db2.gz HBGSDJLUZXVZJW-GFCCVEGCSA-N 0 3 282.300 0.000 20 5 CCBDHN CS(=O)(=O)C1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600551244 362008708 /nfs/dbraw/zinc/00/87/08/362008708.db2.gz IFCMJPRWJUFRCQ-SNVBAGLBSA-N 0 3 284.293 0.745 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000573395159 334935128 /nfs/dbraw/zinc/93/51/28/334935128.db2.gz NXEWZQLYAXMNTF-QMMMGPOBSA-N 0 3 252.274 0.670 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000128085815 187350046 /nfs/dbraw/zinc/35/00/46/187350046.db2.gz GYXQZOMDBKIMDE-MRVPVSSYSA-N 0 3 267.289 0.532 20 5 CCBDHN CS[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000602795479 362804909 /nfs/dbraw/zinc/80/49/09/362804909.db2.gz AQLVVLHFBKSDII-WDEREUQCSA-N 0 3 299.400 0.806 20 5 CCBDHN CCCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000343992614 137172185 /nfs/dbraw/zinc/17/21/85/137172185.db2.gz ZGKZCWQFMAJFCO-SECBINFHSA-N 0 3 280.332 0.506 20 5 CCBDHN CC[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040835656 348245585 /nfs/dbraw/zinc/24/55/85/348245585.db2.gz SOPKAEHPHNQWOV-ZDUSSCGKSA-N 0 3 292.339 0.981 20 5 CCBDHN O=C(CCOC1CNC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000348995576 137383081 /nfs/dbraw/zinc/38/30/81/137383081.db2.gz VTWYCRFMBWAHBJ-UHFFFAOYSA-N 0 3 279.296 0.590 20 5 CCBDHN CCC1(O)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075859588 349054458 /nfs/dbraw/zinc/05/44/58/349054458.db2.gz RSYZIAALWVCWTR-LBPRGKRZSA-N 0 3 298.343 0.389 20 5 CCBDHN O=C(C[C@H]1CNCCO1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000091310296 180132249 /nfs/dbraw/zinc/13/22/49/180132249.db2.gz CLUFAFZDXOCHOT-ZDUSSCGKSA-N 0 3 293.323 0.632 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCS[C@@H]3COCC[C@@H]32)n1 ZINC000135536003 350401278 /nfs/dbraw/zinc/40/12/78/350401278.db2.gz CTVLYKFXLBSVGY-WDEREUQCSA-N 0 3 298.368 0.998 20 5 CCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(C2CC2)C1 ZINC000144361525 350462869 /nfs/dbraw/zinc/46/28/69/350462869.db2.gz AGMIMSPKKNIBJO-VIFPVBQESA-N 0 3 279.300 0.144 20 5 CCBDHN CCN1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000137946415 350439796 /nfs/dbraw/zinc/43/97/96/350439796.db2.gz IBLCWSZODAIGKI-MRVPVSSYSA-N 0 3 267.289 0.532 20 5 CCBDHN C[C@H]1CCCCN1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000162128488 350737876 /nfs/dbraw/zinc/73/78/76/350737876.db2.gz RQTKIYFAZUIUAF-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172235818 350969628 /nfs/dbraw/zinc/96/96/28/350969628.db2.gz IBXMLNXVTQBDBE-LLVKDONJSA-N 0 3 295.343 0.592 20 5 CCBDHN C[C@@H]1C[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000172623059 351000354 /nfs/dbraw/zinc/00/03/54/351000354.db2.gz BYDRANTVHLUAPE-MNOVXSKESA-N 0 3 295.343 0.732 20 5 CCBDHN CNC(=O)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176239247 351163998 /nfs/dbraw/zinc/16/39/98/351163998.db2.gz LEYACFHKERFUKK-SNVBAGLBSA-N 0 3 281.316 0.249 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@](C)(O)CN(C)C ZINC000218813417 351962111 /nfs/dbraw/zinc/96/21/11/351962111.db2.gz WJEDMYBYKUFGQC-AWEZNQCLSA-N 0 3 295.339 0.946 20 5 CCBDHN CO[C@@H](CN)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000227356580 352046229 /nfs/dbraw/zinc/04/62/29/352046229.db2.gz FGRXSQWHPBPCBZ-JTQLQIEISA-N 0 3 253.258 0.815 20 5 CCBDHN O=[N+]([O-])c1cnccc1NC[C@H]1CSCCN1 ZINC000603417800 363122113 /nfs/dbraw/zinc/12/21/13/363122113.db2.gz BKXDNEIZLGUYRI-QMMMGPOBSA-N 0 3 254.315 0.529 20 5 CCBDHN CCC[C@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000236863926 352222531 /nfs/dbraw/zinc/22/25/31/352222531.db2.gz JQOGSINRUJGQRG-VIFPVBQESA-N 0 3 255.278 0.035 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000268221890 352817388 /nfs/dbraw/zinc/81/73/88/352817388.db2.gz WSTOISPFYSRWQE-SNVBAGLBSA-N 0 3 295.343 0.803 20 5 CCBDHN CN(C)C[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000268228285 352818211 /nfs/dbraw/zinc/81/82/11/352818211.db2.gz XSELBBFAPJAZRN-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN NC(=O)N[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000270702198 352970731 /nfs/dbraw/zinc/97/07/31/352970731.db2.gz YBFPYELMFQIUAN-NSHDSACASA-N 0 3 278.312 0.880 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272138365 353038134 /nfs/dbraw/zinc/03/81/34/353038134.db2.gz AZOAIESAJNCCNF-UWVGGRQHSA-N 0 3 265.317 0.859 20 5 CCBDHN CN(CCN(C)C1CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000274542163 353139239 /nfs/dbraw/zinc/13/92/39/353139239.db2.gz FIIWSXDMDWTOKQ-UHFFFAOYSA-N 0 3 281.316 0.344 20 5 CCBDHN CN(C)[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000292308667 198239293 /nfs/dbraw/zinc/23/92/93/198239293.db2.gz LQVYGYOQPKXLHB-QWRGUYRKSA-N 0 3 269.276 0.845 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000286853119 353615114 /nfs/dbraw/zinc/61/51/14/353615114.db2.gz BIMGCTWGPONOJH-ZETCQYMHSA-N 0 3 284.291 0.996 20 5 CCBDHN C[C@H](O)CN(CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289835743 353689149 /nfs/dbraw/zinc/68/91/49/353689149.db2.gz OUOZCAKQSNZABW-GWCFXTLKSA-N 0 3 284.312 0.303 20 5 CCBDHN COc1ccc(CNC(=O)[C@H](CN)OC)cc1[N+](=O)[O-] ZINC000289962217 353697644 /nfs/dbraw/zinc/69/76/44/353697644.db2.gz MWTLIUIIPDSRFB-NSHDSACASA-N 0 3 283.284 0.193 20 5 CCBDHN CC(C)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304356546 354114619 /nfs/dbraw/zinc/11/46/19/354114619.db2.gz SKPJBTSZUAHNRB-ZDUSSCGKSA-N 0 3 297.359 0.178 20 5 CCBDHN CCO[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304378055 354115368 /nfs/dbraw/zinc/11/53/68/354115368.db2.gz XOLBNSNOGGSPFC-QWHCGFSZSA-N 0 3 298.343 0.653 20 5 CCBDHN C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1CO ZINC000305444555 354146804 /nfs/dbraw/zinc/14/68/04/354146804.db2.gz ORTNAJMIFYKOBN-WDEREUQCSA-N 0 3 268.317 0.884 20 5 CCBDHN C[C@@H]1CCOCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305758457 354160050 /nfs/dbraw/zinc/16/00/50/354160050.db2.gz CGJHAAJSVFHFLB-PWSUYJOCSA-N 0 3 284.316 0.263 20 5 CCBDHN CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531887703 358486969 /nfs/dbraw/zinc/48/69/69/358486969.db2.gz IIZRLBUGBSKRKA-UHFFFAOYSA-N 0 3 264.285 0.814 20 5 CCBDHN CN(CCOc1ccccc1[N+](=O)[O-])CCC(N)=O ZINC000353186153 356174225 /nfs/dbraw/zinc/17/42/25/356174225.db2.gz VLEIJKBBXTVNTP-UHFFFAOYSA-N 0 3 267.285 0.781 20 5 CCBDHN CO[C@@H](CN)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000353052693 356147700 /nfs/dbraw/zinc/14/77/00/356147700.db2.gz QWSUWVWYIJYOCL-NSHDSACASA-N 0 3 281.312 0.920 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC([C@@H]3CCOC3)C2)c1 ZINC000619506710 366270560 /nfs/dbraw/zinc/27/05/60/366270560.db2.gz WDHZTIXFCNPJSH-ZWNOBZJWSA-N 0 3 296.327 0.121 20 5 CCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCCC1 ZINC000560479407 291104363 /nfs/dbraw/zinc/10/43/63/291104363.db2.gz NZZRIXVPAVBJFV-QMMMGPOBSA-N 0 3 267.289 0.532 20 5 CCBDHN CCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000610336478 363551720 /nfs/dbraw/zinc/55/17/20/363551720.db2.gz OKYOCXMRZNBYQL-YPMHNXCESA-N 0 3 297.359 0.178 20 5 CCBDHN CN(C)[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000573664657 358988074 /nfs/dbraw/zinc/98/80/74/358988074.db2.gz LIUBENJFFXHZCS-KBPBESRZSA-N 0 3 279.340 0.744 20 5 CCBDHN C[C@H](NC1CC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000592223873 359802221 /nfs/dbraw/zinc/80/22/21/359802221.db2.gz IQOWIOAIWONCSJ-QMMMGPOBSA-N 0 3 267.289 0.048 20 5 CCBDHN CC1(C)CN[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592230071 359803606 /nfs/dbraw/zinc/80/36/06/359803606.db2.gz OPZVIOFWRDBRKJ-JTQLQIEISA-N 0 3 289.295 0.830 20 5 CCBDHN COC(=O)[C@H]1CNCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000592491928 359856847 /nfs/dbraw/zinc/85/68/47/359856847.db2.gz OJSDCKXRHHINKE-CYBMUJFWSA-N 0 3 293.323 0.932 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000611236704 363689639 /nfs/dbraw/zinc/68/96/39/363689639.db2.gz YHSOPSAUVQFYIB-SCZZXKLOSA-N 0 3 293.327 0.541 20 5 CCBDHN CN(C)CCN1CCN(c2ncccc2[N+](=O)[O-])CC1=O ZINC000593486463 360097035 /nfs/dbraw/zinc/09/70/35/360097035.db2.gz YLXLATBNSAMQJQ-UHFFFAOYSA-N 0 3 293.327 0.200 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@@H](CN)C(F)(F)F)c1[N+](=O)[O-] ZINC000594452060 360316467 /nfs/dbraw/zinc/31/64/67/360316467.db2.gz WOQLBZDJQNGQLU-BYPYZUCNSA-N 0 3 281.194 0.246 20 5 CCBDHN Cc1cc(=O)n(C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000594699537 360361873 /nfs/dbraw/zinc/36/18/73/360361873.db2.gz ZIBBHTRBZALCRY-SECBINFHSA-N 0 3 253.258 0.053 20 5 CCBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595104575 360436624 /nfs/dbraw/zinc/43/66/24/360436624.db2.gz KTRMFXOMFURIKU-UHFFFAOYSA-N 0 3 288.329 0.268 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2COC[C@@H]2C1 ZINC000595826931 360669875 /nfs/dbraw/zinc/66/98/75/360669875.db2.gz BEBJIRCFNXIXBQ-RYUDHWBXSA-N 0 3 293.323 0.725 20 5 CCBDHN CCCN1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000596518544 360913609 /nfs/dbraw/zinc/91/36/09/360913609.db2.gz WGUISQWYLFORGU-SECBINFHSA-N 0 3 293.327 0.985 20 5 CCBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 ZINC000597710192 361205204 /nfs/dbraw/zinc/20/52/04/361205204.db2.gz JJPLHRLDKYAKIY-ZDUSSCGKSA-N 0 3 293.327 0.876 20 5 CCBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CCN(C)C1 ZINC000597944530 361288035 /nfs/dbraw/zinc/28/80/35/361288035.db2.gz DSJYPAWHWSXUKK-NSHDSACASA-N 0 3 295.343 0.652 20 5 CCBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000597859231 361271067 /nfs/dbraw/zinc/27/10/67/361271067.db2.gz BSJURQIYEXZAQN-MRVPVSSYSA-N 0 3 281.316 0.921 20 5 CCBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000597859333 361271085 /nfs/dbraw/zinc/27/10/85/361271085.db2.gz UPQZGRBTFWRUEI-SNVBAGLBSA-N 0 3 295.343 0.780 20 5 CCBDHN O=[N+]([O-])c1cc(CNCCN2CC[C@H](O)C2)cs1 ZINC000599017752 361556722 /nfs/dbraw/zinc/55/67/22/361556722.db2.gz BEYYPHNOPPVUMR-JTQLQIEISA-N 0 3 271.342 0.813 20 5 CCBDHN O=C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000275345404 193005967 /nfs/dbraw/zinc/00/59/67/193005967.db2.gz YRYDQENGKHYADI-GBIKHYSHSA-N 0 3 294.311 0.348 20 5 CCBDHN O=C(CCOC1CNC1)NCc1cccc([N+](=O)[O-])c1 ZINC000517024564 249198046 /nfs/dbraw/zinc/19/80/46/249198046.db2.gz PPAKWLLWCSWBHL-UHFFFAOYSA-N 0 3 279.296 0.590 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(CO)CO ZINC000517956850 249237684 /nfs/dbraw/zinc/23/76/84/249237684.db2.gz KMSCCEKTDBFMDS-UHFFFAOYSA-N 0 3 297.311 0.175 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN(C)CC1 ZINC000127361660 284737793 /nfs/dbraw/zinc/73/77/93/284737793.db2.gz QVYPLVGYWOGBNY-UHFFFAOYSA-N 0 3 281.316 0.310 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1CO ZINC000248435787 285164485 /nfs/dbraw/zinc/16/44/85/285164485.db2.gz AJWJEIZYPYKRBE-RYUDHWBXSA-N 0 3 296.323 0.791 20 5 CCBDHN CC[C@H](CO)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000295836627 389008773 /nfs/dbraw/zinc/00/87/73/389008773.db2.gz ZCFIEEXLTGCQHF-SNVBAGLBSA-N 0 3 269.301 0.459 20 5 CCBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000193318983 389067091 /nfs/dbraw/zinc/06/70/91/389067091.db2.gz VZJNRYCUQJXOTG-VIFPVBQESA-N 0 3 287.341 0.837 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)[NH3+])c1C ZINC000195295064 389121880 /nfs/dbraw/zinc/12/18/80/389121880.db2.gz GHACFRJUUAQGFG-QMMMGPOBSA-N 0 3 287.341 0.837 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)c1C ZINC000123223615 389155258 /nfs/dbraw/zinc/15/52/58/389155258.db2.gz FWKXKEACHOZZHV-JTQLQIEISA-N 0 3 299.352 0.852 20 5 CCBDHN CCN1CCC[C@H]1CN(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331022234 389286700 /nfs/dbraw/zinc/28/67/00/389286700.db2.gz QIBUEXMOWSFJPU-JTQLQIEISA-N 0 3 296.331 0.129 20 5 CCBDHN CN(C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccco1 ZINC000158923589 389353947 /nfs/dbraw/zinc/35/39/47/389353947.db2.gz PNMODBPIMOVOEX-QMMMGPOBSA-N 0 3 293.283 0.944 20 5 CCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347517869 389354274 /nfs/dbraw/zinc/35/42/74/389354274.db2.gz JIAOJEGFEOPCJX-ZJUUUORDSA-N 0 3 295.343 0.741 20 5 CCBDHN CCc1n[nH]c(C(=O)NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000416298596 389727663 /nfs/dbraw/zinc/72/76/63/389727663.db2.gz CZMWKTRVZCCWNZ-UHFFFAOYSA-N 0 3 281.316 0.704 20 5 CCBDHN C[C@H](CN1CCOCC1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000434698838 389942507 /nfs/dbraw/zinc/94/25/07/389942507.db2.gz HQLNPJGFYOVXLG-GFCCVEGCSA-N 0 3 297.359 0.444 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NCCN1CCN(C)C(C)(C)C1 ZINC000440669439 390041791 /nfs/dbraw/zinc/04/17/91/390041791.db2.gz SUAJXCGSAAVYJX-UHFFFAOYSA-N 0 3 296.375 0.766 20 5 CCBDHN CNc1nccc(C(=O)NC(C)(C)CN(C)C)c1[N+](=O)[O-] ZINC000580094889 390221348 /nfs/dbraw/zinc/22/13/48/390221348.db2.gz ZOIATOVTPPZOKJ-UHFFFAOYSA-N 0 3 295.343 0.523 20 5 CCBDHN CC[C@H](C)[C@H](NC(=O)OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000496802778 390366281 /nfs/dbraw/zinc/36/62/81/390366281.db2.gz JOWCUMBLCUZKIY-YIZRAAEISA-N 0 3 276.289 0.966 20 5 CCBDHN C[C@]1(CO)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000544760482 390310722 /nfs/dbraw/zinc/31/07/22/390310722.db2.gz FIYWDYZOKYDUKB-CYBMUJFWSA-N 0 3 281.312 0.603 20 5 CCBDHN Cc1nc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000565786086 390546710 /nfs/dbraw/zinc/54/67/10/390546710.db2.gz IOCLNKZJDAGFMQ-VHSXEESVSA-N 0 3 291.311 0.046 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(CO)CO ZINC000578903796 390907071 /nfs/dbraw/zinc/90/70/71/390907071.db2.gz AOYVKSNLHMKEOA-UHFFFAOYSA-N 0 3 297.311 0.175 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@]23CCOC3)c1 ZINC000341963259 130176562 /nfs/dbraw/zinc/17/65/62/130176562.db2.gz FLPVXSCSNSRDGA-CHWSQXEVSA-N 0 3 296.327 0.407 20 5 CCBDHN C[C@@H]1CC(O)C[C@@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191276615 130214866 /nfs/dbraw/zinc/21/48/66/130214866.db2.gz IGAMJRZDPKYUTK-GHMZBOCLSA-N 0 3 295.339 0.990 20 5 CCBDHN Cc1ccc(NCCCNC(=O)CN)c([N+](=O)[O-])c1 ZINC000237608097 131047313 /nfs/dbraw/zinc/04/73/13/131047313.db2.gz BGCYFOOLVVPQCO-UHFFFAOYSA-N 0 3 266.301 0.780 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262816700 131264200 /nfs/dbraw/zinc/26/42/00/131264200.db2.gz PGEGDLCFNWTQOC-IUCAKERBSA-N 0 3 281.316 0.309 20 5 CCBDHN COc1ccc(CN(C)CCC(N)=O)cc1[N+](=O)[O-] ZINC000263701212 131312066 /nfs/dbraw/zinc/31/20/66/131312066.db2.gz GAWUTGOFOTUDRR-UHFFFAOYSA-N 0 3 267.285 0.911 20 5 CCBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356481632 144006583 /nfs/dbraw/zinc/00/65/83/144006583.db2.gz OUNOLQPUQPBIBJ-VIFPVBQESA-N 0 3 281.316 0.542 20 5 CCBDHN CN(c1c([N+](=O)[O-])ncn1C)C1CCN(CCO)CC1 ZINC000357611294 144104777 /nfs/dbraw/zinc/10/47/77/144104777.db2.gz FMIKIJHUVSVINL-UHFFFAOYSA-N 0 3 283.332 0.221 20 5 CCBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cn[nH]c1 ZINC000358802761 144180541 /nfs/dbraw/zinc/18/05/41/144180541.db2.gz DTEYJXCGHHKEJW-KCJUWKMLSA-N 0 3 280.288 0.226 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000440362910 397543026 /nfs/dbraw/zinc/54/30/26/397543026.db2.gz GYHSTRJPOSWMIA-UHFFFAOYSA-N 0 3 299.352 0.934 20 5 CCBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548059454 286001192 /nfs/dbraw/zinc/00/11/92/286001192.db2.gz YSUPGNPYJQIQQL-SECBINFHSA-N 0 3 293.327 0.569 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]C[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000447241232 292181964 /nfs/dbraw/zinc/18/19/64/292181964.db2.gz YCGTVHRGWRITRS-SECBINFHSA-N 0 3 287.341 0.776 20 5 CCBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000552285488 286161840 /nfs/dbraw/zinc/16/18/40/286161840.db2.gz PIXRGYKYJXYPHN-QMMMGPOBSA-N 0 3 267.289 0.390 20 5 CCBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCNCC1 ZINC000020362632 171161381 /nfs/dbraw/zinc/16/13/81/171161381.db2.gz RQMMHCIRVXAHKW-JTQLQIEISA-N 0 3 278.312 0.827 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CSCCN2)nc1 ZINC000603421270 420493833 /nfs/dbraw/zinc/49/38/33/420493833.db2.gz YZPMTXXYJSLFCV-SSDOTTSWSA-N 0 3 255.303 0.502 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000519181567 265360142 /nfs/dbraw/zinc/36/01/42/265360142.db2.gz GWESMMXHQOMDMS-QWRGUYRKSA-N 0 3 291.311 0.046 20 5 CCBDHN CN(CCN1CCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000332270812 276943196 /nfs/dbraw/zinc/94/31/96/276943196.db2.gz CLQZZLPGGHCZJZ-UHFFFAOYSA-N 0 3 281.316 0.346 20 5 CCBDHN CNc1nccc(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000570862556 327628387 /nfs/dbraw/zinc/62/83/87/327628387.db2.gz SYECWZNREIRBTE-UHFFFAOYSA-N 0 3 281.316 0.087 20 5 CCBDHN CN1CC=C(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000575851099 335123632 /nfs/dbraw/zinc/12/36/32/335123632.db2.gz WJBWOVNXTVIZDR-UHFFFAOYSA-N 0 3 265.273 0.310 20 5 CCBDHN COCCN(C)C[C@H](O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000380765688 336027156 /nfs/dbraw/zinc/02/71/56/336027156.db2.gz YRVLOELXHVIAPO-NSHDSACASA-N 0 3 286.332 0.347 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1C ZINC000423618362 534122396 /nfs/dbraw/zinc/12/23/96/534122396.db2.gz UIXGNMHILAMPDT-RNFRBKRXSA-N 0 3 253.262 0.140 20 5 CCBDHN Cc1cc(CN)cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000424235831 534173092 /nfs/dbraw/zinc/17/30/92/534173092.db2.gz IMRNLGQTXWDYNZ-UHFFFAOYSA-N 0 3 290.283 0.592 20 5 CCBDHN CCN(CCO)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000183996857 521112060 /nfs/dbraw/zinc/11/20/60/521112060.db2.gz WWJUHOGYAJBSGT-UHFFFAOYSA-N 0 3 296.327 0.221 20 5 CCBDHN COC(=O)c1ccc(OC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000594695442 545102838 /nfs/dbraw/zinc/10/28/38/545102838.db2.gz GYZTXBSCBPBAMO-SNVBAGLBSA-N 0 3 296.279 0.749 20 5 CCBDHN CC(C)(C)[C@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423901001 526701168 /nfs/dbraw/zinc/70/11/68/526701168.db2.gz KJDAKKXRWANABU-SECBINFHSA-N 0 3 269.305 0.281 20 5 CCBDHN CCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000412884534 527795960 /nfs/dbraw/zinc/79/59/60/527795960.db2.gz XIKYTXYTEKPCMM-SECBINFHSA-N 0 3 293.327 0.856 20 5 CCBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1C(C)C ZINC000797284454 581463687 /nfs/dbraw/zinc/46/36/87/581463687.db2.gz XSOIAOLAFGBAPO-SSDOTTSWSA-N 0 3 256.262 0.989 20 5 CCBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772917296 581899649 /nfs/dbraw/zinc/89/96/49/581899649.db2.gz SUNBRIVUEMVEHP-SECBINFHSA-N 0 3 283.332 0.644 20 5 CCBDHN CC(=O)N1C[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC000880310345 613629351 /nfs/dbraw/zinc/62/93/51/613629351.db2.gz WDCOWANCLFEQHP-TXEJJXNPSA-N 0 3 293.327 0.201 20 5 CCBDHN CC(C)CN1CCO[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839470662 614098038 /nfs/dbraw/zinc/09/80/38/614098038.db2.gz SFXMOSPHFJUQAY-QJPTWQEYSA-N 0 3 285.344 0.125 20 5 CCBDHN CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821586036 615893604 /nfs/dbraw/zinc/89/36/04/615893604.db2.gz GMTOTBGXYWRIIX-UHFFFAOYSA-N 0 3 292.303 0.168 20 5 CCBDHN CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821586036 615893607 /nfs/dbraw/zinc/89/36/07/615893607.db2.gz GMTOTBGXYWRIIX-UHFFFAOYSA-N 0 3 292.303 0.168 20 5 CCBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000854945522 615908787 /nfs/dbraw/zinc/90/87/87/615908787.db2.gz LETHRBCOVOAKEC-UHFFFAOYSA-N 0 3 268.273 0.400 20 5 CCBDHN CN(C)CCn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC000912457948 615923828 /nfs/dbraw/zinc/92/38/28/615923828.db2.gz DYRPAHHPOHSFMU-UHFFFAOYSA-N 0 3 262.273 0.810 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000808175082 615923990 /nfs/dbraw/zinc/92/39/90/615923990.db2.gz RRYVOAVEIJDIOI-ZCRIDZFUSA-N 0 3 293.323 0.647 20 5 CCBDHN CN(C)C[C@@H]1NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000924460780 615933384 /nfs/dbraw/zinc/93/33/84/615933384.db2.gz ILMDHLQHXQHDPD-NSHDSACASA-N 0 3 292.295 0.577 20 5 CCBDHN CC[S@@](=O)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000132780417 616005966 /nfs/dbraw/zinc/00/59/66/616005966.db2.gz ZSLQOIVPCNZSQB-BUXKBTBVSA-N 0 3 286.353 0.986 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813106690 616015178 /nfs/dbraw/zinc/01/51/78/616015178.db2.gz GJUJVQCBNWWXDT-LURJTMIESA-N 0 3 272.217 0.633 20 5 CCBDHN CN(CCO)CCN(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000912598036 616100147 /nfs/dbraw/zinc/10/01/47/616100147.db2.gz BQTDFCSMISIWSA-UHFFFAOYSA-N 0 3 275.349 0.204 20 5 CCBDHN CN(CCO)CCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000912606335 616100586 /nfs/dbraw/zinc/10/05/86/616100586.db2.gz PFEBPLJDOQNIII-UHFFFAOYSA-N 0 3 295.339 0.520 20 5 CCBDHN COCCNC(=O)[C@H]1CC[C@H](C)N(CC[N+](=O)[O-])C1 ZINC000929354901 616499022 /nfs/dbraw/zinc/49/90/22/616499022.db2.gz LNWWUNPRVUYCCC-QWRGUYRKSA-N 0 3 273.333 0.126 20 5 CCBDHN CC(COC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)[N+](=O)[O-] ZINC000813104998 624649297 /nfs/dbraw/zinc/64/92/97/624649297.db2.gz IZACQOPEXJIWHB-QYNIQEEDSA-N 0 3 298.217 0.652 20 5 CCBDHN CC(COC(=O)C1CCN(C(=O)N(C)C)CC1)[N+](=O)[O-] ZINC000813110253 624654627 /nfs/dbraw/zinc/65/46/27/624654627.db2.gz VTYZJUYXRAQWBV-SECBINFHSA-N 0 3 287.316 0.588 20 5 CCBDHN CC(COC(=O)c1cn(C(C)(C)C)nn1)[N+](=O)[O-] ZINC000813110170 624654707 /nfs/dbraw/zinc/65/47/07/624654707.db2.gz UFCNGBGQMLPAOR-ZETCQYMHSA-N 0 3 256.262 0.855 20 5 CCBDHN O=[N+]([O-])c1ccnn1CN1CC[C@H]2[C@@H]1CCCN2CCO ZINC000902644647 634428024 /nfs/dbraw/zinc/42/80/24/634428024.db2.gz QCJXBMDLLTVKPC-RYUDHWBXSA-N 0 3 295.343 0.280 20 5 CCBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CNOC2)n1 ZINC000925868066 631417218 /nfs/dbraw/zinc/41/72/18/631417218.db2.gz ABZLMFSTDSWCNV-GARJFASQSA-N 0 3 281.316 0.768 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897216407 632419546 /nfs/dbraw/zinc/41/95/46/632419546.db2.gz QLHHDEBHNJKCMN-MNOVXSKESA-N 0 3 295.343 0.364 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN(C)CCO ZINC000899739921 633880937 /nfs/dbraw/zinc/88/09/37/633880937.db2.gz AQYWQGSRHVVMLV-UHFFFAOYSA-N 0 3 295.339 0.866 20 5 CCBDHN Cc1cc(N2CCC[C@H](NCC[N+](=O)[O-])C2)n(C)n1 ZINC000905235459 634832297 /nfs/dbraw/zinc/83/22/97/634832297.db2.gz ZAQICQIYAAXRAS-NSHDSACASA-N 0 3 267.333 0.564 20 5 CCBDHN O=C(NC1CCN(CCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789950 639456009 /nfs/dbraw/zinc/45/60/09/639456009.db2.gz YLJWWDZCJHTGKC-NXEZZACHSA-N 0 3 259.281 0.202 20 5 CCBDHN CC(COC(=O)[C@H](C)OC[C@@H]1CCCO1)[N+](=O)[O-] ZINC000813103612 641022226 /nfs/dbraw/zinc/02/22/26/641022226.db2.gz RKYDVGPJJALMMC-GUBZILKMSA-N 0 3 261.274 0.779 20 5 CCBDHN CC(COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)[N+](=O)[O-] ZINC000813103431 641022758 /nfs/dbraw/zinc/02/27/58/641022758.db2.gz AHTPKNMLLQOJRT-FYBVGQRMSA-N 0 3 288.325 0.649 20 5 CCBDHN CC(COC(=O)c1ccoc1CC(N)=O)[N+](=O)[O-] ZINC000813108554 641023288 /nfs/dbraw/zinc/02/32/88/641023288.db2.gz HIJRCRQOFWSBLA-LURJTMIESA-N 0 3 256.214 0.129 20 5 CCBDHN CC(COC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[N+](=O)[O-] ZINC000813106778 641023659 /nfs/dbraw/zinc/02/36/59/641023659.db2.gz GZJMHZJYBMTIHL-BDAKNGLRSA-N 0 3 294.329 0.009 20 5 CCBDHN CC(COC(=O)c1ccc2nnn(C)c2c1)[N+](=O)[O-] ZINC000813107303 641023767 /nfs/dbraw/zinc/02/37/67/641023767.db2.gz OVGQBCZEHNCZCO-SSDOTTSWSA-N 0 3 264.241 0.790 20 5 CCBDHN CC(COC(=O)c1ccc2nncn2c1)[N+](=O)[O-] ZINC000813114973 641024814 /nfs/dbraw/zinc/02/48/14/641024814.db2.gz ZEPNZCHFQDRFOV-ZETCQYMHSA-N 0 3 250.214 0.551 20 5 CCBDHN O=[N+]([O-])c1cccnc1N1C[C@@H]2CCCN2C[C@@H]1CO ZINC000872757919 646319632 /nfs/dbraw/zinc/31/96/32/646319632.db2.gz KCPOLWXZUJFENI-WDEREUQCSA-N 0 3 278.312 0.635 20 5 CCBDHN O=[N+]([O-])c1ncccc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000886247623 647934130 /nfs/dbraw/zinc/93/41/30/647934130.db2.gz WNXCKGGTJDBRFT-NEPJUHHUSA-N 0 3 281.312 0.867 20 5 CCBDHN CCOCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122964994 799322439 /nfs/dbraw/zinc/32/24/39/799322439.db2.gz AVIKYPZWCZKBBI-UHFFFAOYSA-N 0 3 281.312 0.837 20 5 CCBDHN COc1nc(C)c([N+](=O)[O-])c(-n2nccc2CN)n1 ZINC001155125719 800915714 /nfs/dbraw/zinc/91/57/14/800915714.db2.gz XGCJMIDNEDXPBO-UHFFFAOYSA-N 0 3 264.245 0.346 20 5 CCBDHN Cc1nc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])oc1C ZINC001157761058 801473746 /nfs/dbraw/zinc/47/37/46/801473746.db2.gz LQWKHMYXWIWSOO-GHMZBOCLSA-N 0 3 296.327 0.553 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1ccc([C@@H](C)N)n1 ZINC001158349997 801625969 /nfs/dbraw/zinc/62/59/69/801625969.db2.gz GMZVUZSATJBTAC-MRVPVSSYSA-N 0 3 263.257 0.742 20 5 CCBDHN NCc1cn(-c2ncnc(Cl)c2[N+](=O)[O-])cn1 ZINC001162294171 802302490 /nfs/dbraw/zinc/30/24/90/802302490.db2.gz PPZPKQBUOOYWJH-UHFFFAOYSA-N 0 3 254.637 0.683 20 5 CCBDHN COc1ncc([N+](=O)[O-])c(-n2nccc2CN)n1 ZINC001162591397 802371947 /nfs/dbraw/zinc/37/19/47/802371947.db2.gz RREVDBBQTNYSGP-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN CN(C)CCN(C)c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001163589985 802573062 /nfs/dbraw/zinc/57/30/62/802573062.db2.gz HMMSLHFJPGWXTB-UHFFFAOYSA-N 0 3 274.708 0.879 20 5 CCBDHN O=[N+]([O-])c1cnc(-n2ncc3c2CCNC3)c(F)c1 ZINC001165218698 802797522 /nfs/dbraw/zinc/79/75/22/802797522.db2.gz JXDLCBYTUWSOEZ-UHFFFAOYSA-N 0 3 263.232 0.960 20 5 CCBDHN COCCN1CCC(Oc2ncncc2[N+](=O)[O-])CC1 ZINC001228653743 805464279 /nfs/dbraw/zinc/46/42/79/805464279.db2.gz BBHGFHVAISSJTC-UHFFFAOYSA-N 0 3 282.300 0.874 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H]1CCS(=O)(=O)C1)C2 ZINC001254566966 808260266 /nfs/dbraw/zinc/26/02/66/808260266.db2.gz LVCNGUZVWZGMOL-NEPJUHHUSA-N 0 3 296.348 0.839 20 5 CCBDHN O=C1C[C@H](N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CO1 ZINC001254573560 808260743 /nfs/dbraw/zinc/26/07/43/808260743.db2.gz BWFLLYZEUKWXKK-QWRGUYRKSA-N 0 3 262.265 0.967 20 5 CCBDHN O=[N+]([O-])CCN[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000905102139 815509754 /nfs/dbraw/zinc/50/97/54/815509754.db2.gz AGDAHUAITLYELB-HNNXBMFYSA-N 0 3 293.367 0.796 20 5 CCBDHN CN1CCN(C(=N)Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC001168736656 818550292 /nfs/dbraw/zinc/55/02/92/818550292.db2.gz JSFYQAHMIGZPAT-UHFFFAOYSA-N 0 3 298.734 0.659 20 5 CCBDHN NC(=O)C1(Nc2cc3c(cc2[N+](=O)[O-])CNC3)CC1 ZINC001162548310 819304579 /nfs/dbraw/zinc/30/45/79/819304579.db2.gz CFMYOUKTUJDDOO-UHFFFAOYSA-N 0 3 262.269 0.628 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2nc(CN)cc2C)n1 ZINC001163980343 820482688 /nfs/dbraw/zinc/48/26/88/820482688.db2.gz UOUUXBUPVBXFGA-UHFFFAOYSA-N 0 3 291.267 0.729 20 5 CCBDHN COCCN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169014383 836098483 /nfs/dbraw/zinc/09/84/83/836098483.db2.gz YWLSWBIQKCLJPO-OLZOCXBDSA-N 0 3 271.361 0.696 20 5 CCBDHN NCc1cnnn1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001169310281 836209977 /nfs/dbraw/zinc/20/99/77/836209977.db2.gz UEWBLOZIFGTLNN-UHFFFAOYSA-N 0 3 277.269 0.639 20 5 CCBDHN CN1CC(CNc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001170257972 837275388 /nfs/dbraw/zinc/27/53/88/837275388.db2.gz FBHZLLFCIZMMAH-UHFFFAOYSA-N 0 3 276.296 0.812 20 5 CCBDHN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1cn[nH]n1 ZINC001130742940 837910012 /nfs/dbraw/zinc/91/00/12/837910012.db2.gz MOHQOKYHSLLHSK-UHFFFAOYSA-N 0 3 296.312 0.294 20 5 CCBDHN COc1ccnc(N[C@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170561964 838105864 /nfs/dbraw/zinc/10/58/64/838105864.db2.gz HRPASIILNXGMOS-SCZZXKLOSA-N 0 3 282.300 0.787 20 5 CCBDHN CC(COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[N+](=O)[O-] ZINC000813101504 838675890 /nfs/dbraw/zinc/67/58/90/838675890.db2.gz BYFASEJFXHJSKZ-SSDOTTSWSA-N 0 3 292.247 0.734 20 5 CCBDHN Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102549 838676959 /nfs/dbraw/zinc/67/69/59/838676959.db2.gz ROJFJGJYCAIGAM-LURJTMIESA-N 0 3 295.251 0.657 20 5 CCBDHN CC(COC(=O)c1coc(S(C)(=O)=O)c1)[N+](=O)[O-] ZINC000845577598 840062322 /nfs/dbraw/zinc/06/23/22/840062322.db2.gz XLPAZDRJLLSUNB-ZCFIWIBFSA-N 0 3 277.254 0.505 20 5 CCBDHN CCCN(C)CC(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093788338 841457446 /nfs/dbraw/zinc/45/74/46/841457446.db2.gz ZTJNINGALZXADW-UHFFFAOYSA-N 0 3 295.343 0.860 20 5 CCBDHN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC001187662570 844742752 /nfs/dbraw/zinc/74/27/52/844742752.db2.gz GWQLDGAQHZTVCV-RQJHMYQMSA-N 0 3 252.278 0.472 20 5 CCBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(CCF)CC1 ZINC001045437702 851255630 /nfs/dbraw/zinc/25/56/30/851255630.db2.gz ZBLQTKGUUUCYEH-NXEZZACHSA-N 0 3 273.308 0.592 20 5 CCBDHN CCOC(=O)[C@H]1CNCCN1Cc1cccnc1[N+](=O)[O-] ZINC001337602196 921275019 /nfs/dbraw/zinc/27/50/19/921275019.db2.gz ORSPROWROKNHQY-LLVKDONJSA-N 0 3 294.311 0.327 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(NCCCN2CCN(C)CC2)n1 ZINC001306919526 908275717 /nfs/dbraw/zinc/27/57/17/908275717.db2.gz BPMMIURQGGFWSJ-UHFFFAOYSA-N 0 3 282.348 0.378 20 5 CCBDHN O=C1OC[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC001307977916 908369136 /nfs/dbraw/zinc/36/91/36/908369136.db2.gz YWTFGYWHSLJSQX-WCFLWFBJSA-N 0 3 292.291 0.733 20 5 CCBDHN Cc1c(CNC(=O)[C@@H]2CNCCN2C)cccc1[N+](=O)[O-] ZINC001340372997 922070401 /nfs/dbraw/zinc/07/04/01/922070401.db2.gz FEIOYJRKKQYHDE-ZDUSSCGKSA-N 0 3 292.339 0.423 20 5 CCBDHN Cn1cc([C@H]2C[C@H](NCC[N+](=O)[O-])CCO2)cn1 ZINC001357210613 926496730 /nfs/dbraw/zinc/49/67/30/926496730.db2.gz ONLVKLANHWWGQI-GHMZBOCLSA-N 0 3 254.290 0.507 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599681974 361785137 /nfs/dbraw/zinc/78/51/37/361785137.db2.gz SIIGQMCMBFVOLT-MVWJERBFSA-N 0 3 266.301 0.637 20 5 CCBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N(CCO)CCO ZINC000600179072 361883460 /nfs/dbraw/zinc/88/34/60/361883460.db2.gz HDDFKMUCFAESGO-LBPRGKRZSA-N 0 3 266.297 0.869 20 5 CCBDHN Cc1nn(C)c(C(=O)NC2(CN(C)C)CCC2)c1[N+](=O)[O-] ZINC000281169533 282255308 /nfs/dbraw/zinc/25/53/08/282255308.db2.gz XPOQAGLLOWTGDD-UHFFFAOYSA-N 0 3 295.343 0.851 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCN(CCCO)C1 ZINC000295057643 199323137 /nfs/dbraw/zinc/32/31/37/199323137.db2.gz YLGSYBLNJRSBGP-JTQLQIEISA-N 0 3 283.332 0.587 20 5 CCBDHN CN(CCNC(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000331441481 529916915 /nfs/dbraw/zinc/91/69/15/529916915.db2.gz HNTOIPJSADLVDK-UHFFFAOYSA-N 0 3 267.289 0.152 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601444475 362275596 /nfs/dbraw/zinc/27/55/96/362275596.db2.gz CWTKDIVZWXIXCG-ZDUSSCGKSA-N 0 3 297.286 0.530 20 5 CCBDHN CO[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602776382 362793958 /nfs/dbraw/zinc/79/39/58/362793958.db2.gz GUFAQZDXGGTUDX-JTQLQIEISA-N 0 3 254.290 0.820 20 5 CCBDHN CS[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000602795456 362805087 /nfs/dbraw/zinc/80/50/87/362805087.db2.gz AQLVVLHFBKSDII-MNOVXSKESA-N 0 3 299.400 0.806 20 5 CCBDHN C[NH2+][C@@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000261571214 137009259 /nfs/dbraw/zinc/00/92/59/137009259.db2.gz QPLRWMLDRLWUHX-VIFPVBQESA-N 0 3 287.341 0.789 20 5 CCBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)CN1 ZINC000262317627 137037668 /nfs/dbraw/zinc/03/76/68/137037668.db2.gz DRKWQFWLZUTWJF-IUCAKERBSA-N 0 3 278.312 0.999 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343441674 137135086 /nfs/dbraw/zinc/13/50/86/137135086.db2.gz AJNJDHOXYTZPBM-ONGXEEELSA-N 0 3 295.343 0.699 20 5 CCBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000037889117 348216034 /nfs/dbraw/zinc/21/60/34/348216034.db2.gz YGTGNWHXKFQREF-ZWNOBZJWSA-N 0 3 291.311 0.898 20 5 CCBDHN C[C@@H](NC(=O)CN1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000037766597 348202329 /nfs/dbraw/zinc/20/23/29/348202329.db2.gz RKDURDCSMNLQPJ-LLVKDONJSA-N 0 3 292.339 0.677 20 5 CCBDHN CO[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@](C)(CO)C1 ZINC000602964515 362911051 /nfs/dbraw/zinc/91/10/51/362911051.db2.gz QTQXRMOJJYGLNK-RYUDHWBXSA-N 0 3 284.316 0.263 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(C3CCC3)C2)c1 ZINC000348978656 137382021 /nfs/dbraw/zinc/38/20/21/137382021.db2.gz YFDLXRINLRLWMY-ZDUSSCGKSA-N 0 3 280.328 0.884 20 5 CCBDHN CCN(CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351327 348667706 /nfs/dbraw/zinc/66/77/06/348667706.db2.gz SHCXSJKIXSTOAY-LBPRGKRZSA-N 0 3 254.286 0.942 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](CCO)C2)c1 ZINC000075717111 349048494 /nfs/dbraw/zinc/04/84/94/349048494.db2.gz KPGTXDGRSDAZCX-DGCLKSJQSA-N 0 3 298.343 0.247 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)N1C ZINC000339618183 215270329 /nfs/dbraw/zinc/27/03/29/215270329.db2.gz BZTHDLXZDHOMNZ-RYUDHWBXSA-N 0 3 294.355 0.781 20 5 CCBDHN CNC(=O)[C@@H](C)CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000081525415 349271026 /nfs/dbraw/zinc/27/10/26/349271026.db2.gz JIXUSXGWLMVZAP-VIFPVBQESA-N 0 3 269.305 0.105 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCN(C)CC1 ZINC000531308809 358455616 /nfs/dbraw/zinc/45/56/16/358455616.db2.gz WRUGVCJOGVWKFI-UHFFFAOYSA-N 0 3 266.301 0.757 20 5 CCBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CC(C)(CO)CO ZINC000135931796 350410082 /nfs/dbraw/zinc/41/00/82/350410082.db2.gz FIGAKRUUVNQYDT-UHFFFAOYSA-N 0 3 298.339 0.896 20 5 CCBDHN COc1ccc(NC(=O)C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000136481993 350423449 /nfs/dbraw/zinc/42/34/49/350423449.db2.gz GKVVCOUXIDIOPK-SNVBAGLBSA-N 0 3 295.295 0.920 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2CO)c1 ZINC000159795366 350688061 /nfs/dbraw/zinc/68/80/61/350688061.db2.gz LIFCDFRMWYYRLC-SNVBAGLBSA-N 0 3 254.290 0.638 20 5 CCBDHN CC1CCN(CCNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000162086036 350735956 /nfs/dbraw/zinc/73/59/56/350735956.db2.gz YXBXHDXFYQMCBS-UHFFFAOYSA-N 0 3 295.343 0.790 20 5 CCBDHN CN(CC1CCN(C)CC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000171562803 350915868 /nfs/dbraw/zinc/91/58/68/350915868.db2.gz LNSJOXUFARTVNH-UHFFFAOYSA-N 0 3 295.343 0.592 20 5 CCBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171130128 350887794 /nfs/dbraw/zinc/88/77/94/350887794.db2.gz JIZAZYZOUNACCX-UHFFFAOYSA-N 0 3 296.327 0.606 20 5 CCBDHN CC(C)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174817686 351104868 /nfs/dbraw/zinc/10/48/68/351104868.db2.gz QXKPTZLPOWKJBE-UHFFFAOYSA-N 0 3 267.333 0.817 20 5 CCBDHN C[C@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000230734960 352119636 /nfs/dbraw/zinc/11/96/36/352119636.db2.gz AOPZKGSDFQHSRF-NSHDSACASA-N 0 3 285.325 0.625 20 5 CCBDHN CN(C)CCOCCNc1ccc([N+](=O)[O-])nc1 ZINC000234270747 352156450 /nfs/dbraw/zinc/15/64/50/352156450.db2.gz FRJTXRBHQWIWEZ-UHFFFAOYSA-N 0 3 254.290 0.980 20 5 CCBDHN CN(C)CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000603928428 363172406 /nfs/dbraw/zinc/17/24/06/363172406.db2.gz RHJFXSVHTDMZEO-UHFFFAOYSA-N 0 3 288.329 0.216 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[C@@H]1O ZINC000270027648 352897322 /nfs/dbraw/zinc/89/73/22/352897322.db2.gz BLLDEIBLQSLAMP-PWSUYJOCSA-N 0 3 268.317 0.884 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[C@H]1O ZINC000270027650 352897784 /nfs/dbraw/zinc/89/77/84/352897784.db2.gz BLLDEIBLQSLAMP-ZYHUDNBSSA-N 0 3 268.317 0.884 20 5 CCBDHN NC(=O)CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000270984990 353010405 /nfs/dbraw/zinc/01/04/05/353010405.db2.gz AJPOYGXORJSGKQ-UHFFFAOYSA-N 0 3 295.343 0.769 20 5 CCBDHN CN1CC[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000272513313 353070353 /nfs/dbraw/zinc/07/03/53/353070353.db2.gz PAHXGODQDFXVIM-JQWIXIFHSA-N 0 3 293.327 0.344 20 5 CCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000272579089 353076404 /nfs/dbraw/zinc/07/64/04/353076404.db2.gz OALKFOUSKRTYJS-DTWKUNHWSA-N 0 3 267.289 0.000 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000152729564 188039792 /nfs/dbraw/zinc/03/97/92/188039792.db2.gz IWJDNRGOJFNBMB-LLVKDONJSA-N 0 3 287.341 0.699 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000152869025 188050382 /nfs/dbraw/zinc/05/03/82/188050382.db2.gz YAISQICZZPBSNO-ZDUSSCGKSA-N 0 3 299.302 0.776 20 5 CCBDHN COC(=O)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000280770779 353382267 /nfs/dbraw/zinc/38/22/67/353382267.db2.gz PDKCIIDTXWAWOS-NXEZZACHSA-N 0 3 282.300 0.532 20 5 CCBDHN CCN1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290529791 353732956 /nfs/dbraw/zinc/73/29/56/353732956.db2.gz NYGSCPPOSJXVNU-UHFFFAOYSA-N 0 3 293.327 0.985 20 5 CCBDHN COCCN1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301098630 354069686 /nfs/dbraw/zinc/06/96/86/354069686.db2.gz HGRYRZRCKGYXRQ-UHFFFAOYSA-N 0 3 296.331 0.490 20 5 CCBDHN CN(CCN1CCCC1)Cc1c([N+](=O)[O-])ncn1C ZINC000330527997 354394604 /nfs/dbraw/zinc/39/46/04/354394604.db2.gz RFOYNBYFYGGENM-UHFFFAOYSA-N 0 3 267.333 0.856 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C)n1 ZINC000427506636 235369534 /nfs/dbraw/zinc/36/95/34/235369534.db2.gz OWUDXIHWZJLEDE-MRVPVSSYSA-N 0 3 269.305 0.491 20 5 CCBDHN CC[C@H](CN1CCCC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000609833221 363518738 /nfs/dbraw/zinc/51/87/38/363518738.db2.gz CBQHCCYXPPBOIE-SNVBAGLBSA-N 0 3 296.331 0.177 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](O)[C@@H](N(C)C)C1 ZINC000359967439 356929237 /nfs/dbraw/zinc/92/92/37/356929237.db2.gz HNJBGRRPMKHZHQ-VHSXEESVSA-N 0 3 283.332 0.231 20 5 CCBDHN COC[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610604899 363584485 /nfs/dbraw/zinc/58/44/85/363584485.db2.gz DAHNQGNQHJEANK-PWSUYJOCSA-N 0 3 284.316 0.263 20 5 CCBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)nc1 ZINC000405274383 357823420 /nfs/dbraw/zinc/82/34/20/357823420.db2.gz QMSRIAGMVNPGMX-WDEREUQCSA-N 0 3 264.285 0.245 20 5 CCBDHN Cc1nn(C)c(NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450589869 236097727 /nfs/dbraw/zinc/09/77/27/236097727.db2.gz CYVAUTSGPPXWGC-LLVKDONJSA-N 0 3 297.359 0.895 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCN1CCCO ZINC000450588391 236097985 /nfs/dbraw/zinc/09/79/85/236097985.db2.gz BAZOVXZRCHXWCF-LBPRGKRZSA-N 0 3 294.355 0.979 20 5 CCBDHN Cc1nn(C)c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408130591 357930478 /nfs/dbraw/zinc/93/04/78/357930478.db2.gz VTERLYMJICLVBC-PSASIEDQSA-N 0 3 295.343 0.849 20 5 CCBDHN N[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000424078557 358209109 /nfs/dbraw/zinc/20/91/09/358209109.db2.gz QBHHQEMMVLHIRA-WDEREUQCSA-N 0 3 290.323 0.591 20 5 CCBDHN CC(=O)NCCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000568486444 358677243 /nfs/dbraw/zinc/67/72/43/358677243.db2.gz RRVREXGKEZMYGF-UHFFFAOYSA-N 0 3 294.311 0.649 20 5 CCBDHN CN(C)[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000569291612 358750839 /nfs/dbraw/zinc/75/08/39/358750839.db2.gz KEJDRDHCGTZSJN-RYUDHWBXSA-N 0 3 297.286 0.481 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000588867018 359344376 /nfs/dbraw/zinc/34/43/76/359344376.db2.gz VBSXKPBANLJFCG-LLVKDONJSA-N 0 3 281.312 0.176 20 5 CCBDHN CCc1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000588865321 359344958 /nfs/dbraw/zinc/34/49/58/359344958.db2.gz XMBUXJWYTQMJRR-GFCCVEGCSA-N 0 3 295.339 0.810 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000590442912 359465527 /nfs/dbraw/zinc/46/55/27/359465527.db2.gz HRSSFCKSTZJDFA-CBAPKCEASA-N 0 3 265.273 0.094 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@H]2C1 ZINC000590447466 359469149 /nfs/dbraw/zinc/46/91/49/359469149.db2.gz XRCCLAMYATUAJL-APPZFPTMSA-N 0 3 265.273 0.094 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)CN(C)C ZINC000590549620 359482552 /nfs/dbraw/zinc/48/25/52/359482552.db2.gz LYQWBUBXTYBUFJ-JTQLQIEISA-N 0 3 281.312 0.556 20 5 CCBDHN COC(=O)CC[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000563063008 291186718 /nfs/dbraw/zinc/18/67/18/291186718.db2.gz KSWVLKFQJXPLHN-LLVKDONJSA-N 0 3 295.295 0.492 20 5 CCBDHN CC[C@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000591850174 359665050 /nfs/dbraw/zinc/66/50/50/359665050.db2.gz YBVRGJKEHSKURI-LBPRGKRZSA-N 0 3 294.355 0.783 20 5 CCBDHN CC(C)N1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000177141502 189031980 /nfs/dbraw/zinc/03/19/80/189031980.db2.gz HYJQRHUNPSNUSR-JQWIXIFHSA-N 0 3 295.343 0.636 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CCN1C ZINC000594302895 360270524 /nfs/dbraw/zinc/27/05/24/360270524.db2.gz VGRIYWDQACXALG-RKDXNWHRSA-N 0 3 293.327 0.615 20 5 CCBDHN O=c1c2ccccc2n(C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000594696453 360362108 /nfs/dbraw/zinc/36/21/08/360362108.db2.gz OHCDRWRBRPMTJV-SNVBAGLBSA-N 0 3 289.291 0.898 20 5 CCBDHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595102264 360436448 /nfs/dbraw/zinc/43/64/48/360436448.db2.gz IOHBHKXEQRVNBX-SECBINFHSA-N 0 3 288.329 0.251 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](Cn3ccnn3)C2)n1 ZINC000595606526 360594136 /nfs/dbraw/zinc/59/41/36/360594136.db2.gz HKTUFNZWTZIATH-NSHDSACASA-N 0 3 291.315 0.405 20 5 CCBDHN CO[C@@]1(CO)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595664485 360612044 /nfs/dbraw/zinc/61/20/44/360612044.db2.gz ZFLJWSVQEKNGJD-LBPRGKRZSA-N 0 3 284.316 0.265 20 5 CCBDHN CN(C)CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596056399 360783070 /nfs/dbraw/zinc/78/30/70/360783070.db2.gz YIBJHJFCQVEPCI-UHFFFAOYSA-N 0 3 288.329 0.216 20 5 CCBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000596099226 360793983 /nfs/dbraw/zinc/79/39/83/360793983.db2.gz PZHONUYTPYHRKX-UHFFFAOYSA-N 0 3 295.270 0.548 20 5 CCBDHN Cc1cnc(N[C@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000596244123 360850699 /nfs/dbraw/zinc/85/06/99/360850699.db2.gz PPRAKDRICXHYMA-VIFPVBQESA-N 0 3 254.290 0.633 20 5 CCBDHN COC(=O)C[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000179142782 189172499 /nfs/dbraw/zinc/17/24/99/189172499.db2.gz CMVQEFIWGSZEIY-SNVBAGLBSA-N 0 3 282.300 0.819 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597654879 361175477 /nfs/dbraw/zinc/17/54/77/361175477.db2.gz UUAAPVQTIWWWPV-JTQLQIEISA-N 0 3 285.275 0.386 20 5 CCBDHN CCCc1n[nH]c(C(=O)N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000598162990 361346618 /nfs/dbraw/zinc/34/66/18/361346618.db2.gz LVMMYLQUYYLITG-UHFFFAOYSA-N 0 3 295.343 0.904 20 5 CCBDHN CCCc1[nH]nc(C(=O)N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000598162990 361346623 /nfs/dbraw/zinc/34/66/23/361346623.db2.gz LVMMYLQUYYLITG-UHFFFAOYSA-N 0 3 295.343 0.904 20 5 CCBDHN CC(C)[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1 ZINC000598572927 361447800 /nfs/dbraw/zinc/44/78/00/361447800.db2.gz NGNSMOMFZKDMPA-VIFPVBQESA-N 0 3 281.316 0.398 20 5 CCBDHN O=[N+]([O-])c1cc(CNCCN2CC[C@@H](O)C2)cs1 ZINC000599007129 361553158 /nfs/dbraw/zinc/55/31/58/361553158.db2.gz BEYYPHNOPPVUMR-SNVBAGLBSA-N 0 3 271.342 0.813 20 5 CCBDHN Cc1nc(NCCN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199671 361608828 /nfs/dbraw/zinc/60/88/28/361608828.db2.gz PDEATKGDLAMBEX-JTQLQIEISA-N 0 3 266.301 0.199 20 5 CCBDHN COC1CCN(CCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302167133 201376857 /nfs/dbraw/zinc/37/68/57/201376857.db2.gz RYZQAWBQRDTJFZ-UHFFFAOYSA-N 0 3 281.316 0.908 20 5 CCBDHN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CCN(C)CC1 ZINC000330596522 203016478 /nfs/dbraw/zinc/01/64/78/203016478.db2.gz RUXJXVGBMFVWEG-UHFFFAOYSA-N 0 3 295.343 0.734 20 5 CCBDHN C[C@@H]1CCCCN1CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330664291 203092134 /nfs/dbraw/zinc/09/21/34/203092134.db2.gz ULUAIOAPWWSHNA-SNVBAGLBSA-N 0 3 296.331 0.177 20 5 CCBDHN CN[C@@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000570410579 291755137 /nfs/dbraw/zinc/75/51/37/291755137.db2.gz HOGQJSMZNKPJSY-VIFPVBQESA-N 0 3 266.301 0.731 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](O)CC2)c1 ZINC000293004768 388976290 /nfs/dbraw/zinc/97/62/90/388976290.db2.gz DCKBJKMRRFGUOH-LLVKDONJSA-N 0 3 254.290 0.638 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)CC(C)(C)CO ZINC000295300062 389000251 /nfs/dbraw/zinc/00/02/51/389000251.db2.gz UUNFNARDAMGZNM-UHFFFAOYSA-N 0 3 256.306 0.742 20 5 CCBDHN CN1CCN(CCNc2ccncc2[N+](=O)[O-])CC1(C)C ZINC000340914281 389166319 /nfs/dbraw/zinc/16/63/19/389166319.db2.gz WMZSUVURFCNAGA-UHFFFAOYSA-N 0 3 293.371 0.850 20 5 CCBDHN CN(C)[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000264392462 389325814 /nfs/dbraw/zinc/32/58/14/389325814.db2.gz CMSVNALLTPJUEV-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN CC[C@H](C)N(CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000347446965 389352534 /nfs/dbraw/zinc/35/25/34/389352534.db2.gz ADBWWTTYRUSCSN-NSHDSACASA-N 0 3 283.328 0.849 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C2CC2)C1 ZINC000350078227 389485544 /nfs/dbraw/zinc/48/55/44/389485544.db2.gz MUXDVRIAYPUBFX-LBPRGKRZSA-N 0 3 279.344 0.960 20 5 CCBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CNCCO1 ZINC000415091879 389657520 /nfs/dbraw/zinc/65/75/20/389657520.db2.gz DGOOXDGBHBVVPL-NSHDSACASA-N 0 3 251.286 0.673 20 5 CCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN ZINC000415876723 389706818 /nfs/dbraw/zinc/70/68/18/389706818.db2.gz GHPRAZXKCXBZEP-UHFFFAOYSA-N 0 3 294.311 0.513 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1C ZINC000379465052 389761940 /nfs/dbraw/zinc/76/19/40/389761940.db2.gz HLXAPJWIOXCVAI-RKDXNWHRSA-N 0 3 266.301 0.756 20 5 CCBDHN CN1CC=C(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000351975802 389728205 /nfs/dbraw/zinc/72/82/05/389728205.db2.gz OYMYYEJZJHDLQI-UHFFFAOYSA-N 0 3 291.311 0.564 20 5 CCBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])nn2C)CCC1 ZINC000353376002 389849887 /nfs/dbraw/zinc/84/98/87/389849887.db2.gz CDSJWSLRGHTDJU-UHFFFAOYSA-N 0 3 281.316 0.542 20 5 CCBDHN C[C@@H]1[C@H](CO)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000488749176 390095891 /nfs/dbraw/zinc/09/58/91/390095891.db2.gz ROANFCXNTDQZNJ-ZJUUUORDSA-N 0 3 254.290 0.494 20 5 CCBDHN CCOC(=O)NCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000495950808 390273956 /nfs/dbraw/zinc/27/39/56/390273956.db2.gz OZDPJQNKHQHBIM-MRVPVSSYSA-N 0 3 262.262 0.721 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000583944945 390327708 /nfs/dbraw/zinc/32/77/08/390327708.db2.gz BFOSXPBDFPCFRY-VHSXEESVSA-N 0 3 291.311 0.046 20 5 CCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000554685234 390439712 /nfs/dbraw/zinc/43/97/12/390439712.db2.gz URCVDPDCJPZPGI-CYBMUJFWSA-N 0 3 294.311 0.109 20 5 CCBDHN C[C@@H]1CC(O)C[C@@H](C)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000191281597 130214691 /nfs/dbraw/zinc/21/46/91/130214691.db2.gz IIWVGXKTGNCLHP-GIPNMCIBSA-N 0 3 298.343 0.386 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N(C)C)C2)n1 ZINC000191800631 130304659 /nfs/dbraw/zinc/30/46/59/130304659.db2.gz DSMMLXRRJVSGDI-SECBINFHSA-N 0 3 281.316 0.587 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1C ZINC000262836672 131265720 /nfs/dbraw/zinc/26/57/20/131265720.db2.gz WMXBWMUOTNOVMQ-BDAKNGLRSA-N 0 3 278.312 0.999 20 5 CCBDHN CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356467799 144005576 /nfs/dbraw/zinc/00/55/76/144005576.db2.gz PBDJOXKHKCJFJJ-MRVPVSSYSA-N 0 3 267.289 0.010 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN2CCC[C@H]2C1 ZINC000371065515 144317371 /nfs/dbraw/zinc/31/73/71/144317371.db2.gz RTERVZJMGQIZAR-JTQLQIEISA-N 0 3 265.317 0.608 20 5 CCBDHN CN(C(=O)CN1CCNCC1)c1ccc([N+](=O)[O-])cc1 ZINC000020521395 171234295 /nfs/dbraw/zinc/23/42/95/171234295.db2.gz LRLUTTLRQCVDKQ-UHFFFAOYSA-N 0 3 278.312 0.463 20 5 CCBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C1=CCN(C)CC1 ZINC000285500761 196306201 /nfs/dbraw/zinc/30/62/01/196306201.db2.gz ATFUJUGPIQCAMK-MRVPVSSYSA-N 0 3 279.300 0.698 20 5 CCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C ZINC000049932402 175504625 /nfs/dbraw/zinc/50/46/25/175504625.db2.gz YDWVMWOHYXAWCS-UHFFFAOYSA-N 0 3 266.301 0.928 20 5 CCBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1N(C)C ZINC000270403582 274187569 /nfs/dbraw/zinc/18/75/69/274187569.db2.gz VULDKPZGDXLCKT-IUCAKERBSA-N 0 3 298.372 0.449 20 5 CCBDHN O=C1[C@@H](N2CCNCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000261880459 275027753 /nfs/dbraw/zinc/02/77/53/275027753.db2.gz UEUWOYDLHWNLRY-ZDUSSCGKSA-N 0 3 290.323 0.605 20 5 CCBDHN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000129653492 275552076 /nfs/dbraw/zinc/55/20/76/275552076.db2.gz YXIAURZUDLBNFE-UHFFFAOYSA-N 0 3 273.314 0.610 20 5 CCBDHN CNc1nc(C(=O)NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000412394483 277304017 /nfs/dbraw/zinc/30/40/17/277304017.db2.gz OCPRUMZARJHIFD-QMMMGPOBSA-N 0 3 281.316 0.711 20 5 CCBDHN CN(C)C[C@@H]1CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290772010 289192757 /nfs/dbraw/zinc/19/27/57/289192757.db2.gz LPQZFIQOEOEPIP-VIFPVBQESA-N 0 3 293.327 0.619 20 5 CCBDHN NC(=O)C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176288188 295059060 /nfs/dbraw/zinc/05/90/60/295059060.db2.gz ZFYPMMCGKCCFPE-SNVBAGLBSA-N 0 3 281.316 0.379 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CNCCO2)c1 ZINC000566104558 334623067 /nfs/dbraw/zinc/62/30/67/334623067.db2.gz OMSJEANPKRRAHK-SNVBAGLBSA-N 0 3 295.295 0.322 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000157369276 526623448 /nfs/dbraw/zinc/62/34/48/526623448.db2.gz HLVWWECXYDCQHW-LLVKDONJSA-N 0 3 280.284 0.705 20 5 CCBDHN C[C@@H](NC[C@H](O)CN(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595413 581117778 /nfs/dbraw/zinc/11/77/78/581117778.db2.gz SXHGBNBMHLXHNN-KOLCDFICSA-N 0 3 282.344 0.750 20 5 CCBDHN COC(=O)C1=NOC2(C1)CCN(CC[N+](=O)[O-])CC2 ZINC000791055778 581206377 /nfs/dbraw/zinc/20/63/77/581206377.db2.gz XIEYGZIKPNNSJL-UHFFFAOYSA-N 0 3 271.273 0.047 20 5 CCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000752883885 581520579 /nfs/dbraw/zinc/52/05/79/581520579.db2.gz RFAXTONXMBRMDY-MRVPVSSYSA-N 0 3 299.308 0.502 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@@H](CN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000733167156 581868603 /nfs/dbraw/zinc/86/86/03/581868603.db2.gz UAMBPAVQBIWSOY-VIFPVBQESA-N 0 3 283.332 0.942 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000761716250 581918564 /nfs/dbraw/zinc/91/85/64/581918564.db2.gz ZMUGTTIKAWVIST-LLVKDONJSA-N 0 3 280.328 0.392 20 5 CCBDHN CN1CC[C@@](O)(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000762721489 581958689 /nfs/dbraw/zinc/95/86/89/581958689.db2.gz NKEPYTYVTIAPLF-CYBMUJFWSA-N 0 3 297.286 0.530 20 5 CCBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@H](O)C2)cc1 ZINC000776583310 582080968 /nfs/dbraw/zinc/08/09/68/582080968.db2.gz ZQIOFKUKHVTHJT-RYUDHWBXSA-N 0 3 252.270 0.695 20 5 CCBDHN CCN(CC)C(=O)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107031 614961890 /nfs/dbraw/zinc/96/18/90/614961890.db2.gz KMZTUQWJBCGHCH-VIFPVBQESA-N 0 3 260.290 0.843 20 5 CCBDHN COCCOc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813099700 616590350 /nfs/dbraw/zinc/59/03/50/616590350.db2.gz AQXPCTIBJBBSQN-VIFPVBQESA-N 0 3 284.268 0.929 20 5 CCBDHN COC(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000851036995 616818844 /nfs/dbraw/zinc/81/88/44/616818844.db2.gz PHMZZKGWOHMIFO-QMMMGPOBSA-N 0 3 274.273 0.673 20 5 CCBDHN CC[C@@H](NC[C@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC000090282364 624481436 /nfs/dbraw/zinc/48/14/36/624481436.db2.gz YEFKYHIGCNVILG-NWDGAFQWSA-N 0 3 254.286 0.989 20 5 CCBDHN Cc1sc(=O)n(CC(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813112847 624662449 /nfs/dbraw/zinc/66/24/49/624662449.db2.gz UVETXVVZJPSYIV-LURJTMIESA-N 0 3 274.298 0.735 20 5 CCBDHN Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001022061684 624869826 /nfs/dbraw/zinc/86/98/26/624869826.db2.gz RFJLPPGEXZTARK-RBLKWDMZSA-N 0 3 294.311 0.385 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1C ZINC000902930100 634498920 /nfs/dbraw/zinc/49/89/20/634498920.db2.gz ZVTGEVQHPSTFRS-WPRPVWTQSA-N 0 3 266.301 0.756 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1C ZINC000902930083 634499191 /nfs/dbraw/zinc/49/91/91/634499191.db2.gz ZVTGEVQHPSTFRS-PSASIEDQSA-N 0 3 266.301 0.756 20 5 CCBDHN CN(C)C(=O)c1cccc(CCNCC[N+](=O)[O-])c1 ZINC000905131358 634805851 /nfs/dbraw/zinc/80/58/51/634805851.db2.gz FHWLTZIDLBYSEL-UHFFFAOYSA-N 0 3 265.313 0.797 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000928458081 631872284 /nfs/dbraw/zinc/87/22/84/631872284.db2.gz RFCVPYFVIURSPU-IUCAKERBSA-N 0 3 267.289 0.000 20 5 CCBDHN O=[N+]([O-])CCNC[C@H]1CCC2(CCOCC2)CO1 ZINC000905425249 634863745 /nfs/dbraw/zinc/86/37/45/634863745.db2.gz OQHUPWBKARZGRT-LLVKDONJSA-N 0 3 258.318 0.829 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@H](N3CCC3)C2)c1[N+](=O)[O-] ZINC000912916833 636701736 /nfs/dbraw/zinc/70/17/36/636701736.db2.gz AKMFJSMQCOSWMW-VIFPVBQESA-N 0 3 279.300 0.547 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@H](N3CCC3)C2)c1[N+](=O)[O-] ZINC000912916833 636701741 /nfs/dbraw/zinc/70/17/41/636701741.db2.gz AKMFJSMQCOSWMW-VIFPVBQESA-N 0 3 279.300 0.547 20 5 CCBDHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])nc1 ZINC000838964226 640282961 /nfs/dbraw/zinc/28/29/61/640282961.db2.gz GETQLKSARGYGSQ-QMMMGPOBSA-N 0 3 254.242 0.841 20 5 CCBDHN CC(COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813103696 641021885 /nfs/dbraw/zinc/02/18/85/641021885.db2.gz FLVCMJPEGTTYCR-LURJTMIESA-N 0 3 269.213 0.999 20 5 CCBDHN CC(COC(=O)CN(C)[C@H]1CCSC1)[N+](=O)[O-] ZINC000813109736 641023682 /nfs/dbraw/zinc/02/36/82/641023682.db2.gz VVVQLNGCPIBAJU-IUCAKERBSA-N 0 3 262.331 0.632 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000820273439 641492019 /nfs/dbraw/zinc/49/20/19/641492019.db2.gz UVCAPOKFWGYEBW-QWRGUYRKSA-N 0 3 293.327 0.262 20 5 CCBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)c2nonc21 ZINC000858866673 644656371 /nfs/dbraw/zinc/65/63/71/644656371.db2.gz DSMAZLGGAAXPBR-QMMMGPOBSA-N 0 3 293.283 0.610 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1NCCN(C)CCO ZINC000884824874 647808040 /nfs/dbraw/zinc/80/80/40/647808040.db2.gz TZIOSAAJTONJES-UHFFFAOYSA-N 0 3 254.290 0.634 20 5 CCBDHN C[C@@H](O)[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000930440493 648861909 /nfs/dbraw/zinc/86/19/09/648861909.db2.gz NPIYYWAWYRYQJC-MFKMUULPSA-N 0 3 268.313 0.811 20 5 CCBDHN CN1CC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230225420 805587176 /nfs/dbraw/zinc/58/71/76/805587176.db2.gz UDDUNVXDKNOKNQ-SSDOTTSWSA-N 0 3 263.257 0.949 20 5 CCBDHN CN1CC[C@H](Nc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001167281378 790785419 /nfs/dbraw/zinc/78/54/19/790785419.db2.gz XRTLREXSMMZARR-QMMMGPOBSA-N 0 3 276.296 0.954 20 5 CCBDHN CN1CCN(CCCNc2c[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001161708394 802206180 /nfs/dbraw/zinc/20/61/80/802206180.db2.gz HMASLEYCESCDEF-UHFFFAOYSA-N 0 3 295.343 0.278 20 5 CCBDHN Nc1nc(=O)c(F)cn1-c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001163005805 802452140 /nfs/dbraw/zinc/45/21/40/802452140.db2.gz RNBUXHYLWJDYCX-UHFFFAOYSA-N 0 3 291.242 0.708 20 5 CCBDHN Cc1cc(CN)nn1-c1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC001163977521 802643558 /nfs/dbraw/zinc/64/35/58/802643558.db2.gz DSHHDSOJSMDNQN-UHFFFAOYSA-N 0 3 263.257 0.489 20 5 CCBDHN O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165269589 802808816 /nfs/dbraw/zinc/80/88/16/802808816.db2.gz ODDWZYZJLNSJLL-CBAPKCEASA-N 0 3 299.718 0.605 20 5 CCBDHN CCOC(=O)[C@H]1CNCCN1Cc1ccccc1[N+](=O)[O-] ZINC000088658215 803484893 /nfs/dbraw/zinc/48/48/93/803484893.db2.gz MHQVBNVFPRHXPM-CYBMUJFWSA-N 0 3 293.323 0.932 20 5 CCBDHN C[C@H]1[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC001215997964 803831066 /nfs/dbraw/zinc/83/10/66/803831066.db2.gz OOQFHUDVNBOMPF-DTWKUNHWSA-N 0 3 279.300 0.626 20 5 CCBDHN COc1ccc(C[C@H](C)N[C@@H](C)C(N)=O)c([N+](=O)[O-])c1 ZINC001170294865 837285981 /nfs/dbraw/zinc/28/59/81/837285981.db2.gz DSBUCCIXMWWXQK-IUCAKERBSA-N 0 3 281.312 0.998 20 5 CCBDHN COc1ccc(C[C@H](C)N(C)C[C@@H](O)CO)c([N+](=O)[O-])c1 ZINC001170334810 837305059 /nfs/dbraw/zinc/30/50/59/837305059.db2.gz JBYIDPSLELHASG-CMPLNLGQSA-N 0 3 298.339 0.819 20 5 CCBDHN COc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1CNCCO1 ZINC001170559704 838089910 /nfs/dbraw/zinc/08/99/10/838089910.db2.gz ZQBJDKZJORNZOO-GZMMTYOYSA-N 0 3 282.300 0.787 20 5 CCBDHN CC(COC(=O)[C@H]1COCCN1CC(F)F)[N+](=O)[O-] ZINC000813100969 838676023 /nfs/dbraw/zinc/67/60/23/838676023.db2.gz ZJACJGQMCHPMLN-HTQZYQBOSA-N 0 3 282.243 0.161 20 5 CCBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159496581 839318127 /nfs/dbraw/zinc/31/81/27/839318127.db2.gz KGJAMZHZLGDXBP-OIBJUYFYSA-N 0 3 297.271 0.687 20 5 CCBDHN Cc1c(CNC[C@@H](O)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000717296936 848222648 /nfs/dbraw/zinc/22/26/48/848222648.db2.gz YONBGXZKHLZWRY-JOYOIKCWSA-N 0 3 254.286 0.735 20 5 CCBDHN CN1CCCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001307225761 908299712 /nfs/dbraw/zinc/29/97/12/908299712.db2.gz LMAXOEBFJXFEEQ-SECBINFHSA-N 0 3 293.327 0.985 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](O)[C@@H]1C ZINC001307776101 908342013 /nfs/dbraw/zinc/34/20/13/908342013.db2.gz QCPZORPJFSNQDG-WPRPVWTQSA-N 0 3 254.290 0.555 20 5 CCBDHN O=[N+]([O-])c1cccc([C@H](O)CNC/C=C\CO)c1 ZINC001335379125 920157179 /nfs/dbraw/zinc/15/71/79/920157179.db2.gz ABFLUVFNCPGUEI-UDSFMNFJSA-N 0 3 252.270 0.766 20 5 CCBDHN O=[N+]([O-])CCN[C@H]1CCc2ncc(Br)n2C1 ZINC001336001698 920554902 /nfs/dbraw/zinc/55/49/02/920554902.db2.gz HJJHPFYKYYCMRS-ZETCQYMHSA-N 0 3 289.133 0.827 20 5 CCBDHN Cc1cccc(C(=O)N[C@H]2COC3(CNC3)C2)c1[N+](=O)[O-] ZINC001340613151 922141991 /nfs/dbraw/zinc/14/19/91/922141991.db2.gz BWTKDUKVZOQGMB-SNVBAGLBSA-N 0 3 291.307 0.764 20 5 CCBDHN Cn1cc([C@H]2C[C@@H](NCC[N+](=O)[O-])CCO2)cn1 ZINC001357210626 926497051 /nfs/dbraw/zinc/49/70/51/926497051.db2.gz ONLVKLANHWWGQI-WDEREUQCSA-N 0 3 254.290 0.507 20 5 CCBDHN Cn1cc([C@@H]2C[C@@H](NCC[N+](=O)[O-])CCO2)cn1 ZINC001357210625 926497996 /nfs/dbraw/zinc/49/79/96/926497996.db2.gz ONLVKLANHWWGQI-QWRGUYRKSA-N 0 3 254.290 0.507 20 5 CCBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CNC1 ZINC000090289321 349435997 /nfs/dbraw/zinc/43/59/97/349435997.db2.gz MMCKNTRVMAUUMT-UHFFFAOYSA-N 0 3 271.298 0.153 20 5 CCBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 ZINC000125859453 187203181 /nfs/dbraw/zinc/20/31/81/187203181.db2.gz RFUBRJIANSTPEN-DTWKUNHWSA-N 0 3 279.300 0.627 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCN(CCCO)C1 ZINC000295057646 199323406 /nfs/dbraw/zinc/32/34/06/199323406.db2.gz YLGSYBLNJRSBGP-SNVBAGLBSA-N 0 3 283.332 0.587 20 5 CCBDHN Cc1ccc(NC(=O)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000118094484 349898041 /nfs/dbraw/zinc/89/80/41/349898041.db2.gz KDRMKHXNXBKHQZ-UHFFFAOYSA-N 0 3 294.311 0.520 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601589219 362319918 /nfs/dbraw/zinc/31/99/18/362319918.db2.gz ROAMZQWMLXERCY-MRVPVSSYSA-N 0 3 285.275 0.386 20 5 CCBDHN C[C@H]1COCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602818183 362816732 /nfs/dbraw/zinc/81/67/32/362816732.db2.gz CEFTVVUURUBVER-WPRPVWTQSA-N 0 3 254.290 0.843 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)[C@@H]1CCO[C@@H]1C ZINC000602822261 362818876 /nfs/dbraw/zinc/81/88/76/362818876.db2.gz ULWRBHWVHHPJRH-ZYHUDNBSSA-N 0 3 298.343 0.571 20 5 CCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CCCC2)C1 ZINC000171442214 136854287 /nfs/dbraw/zinc/85/42/87/136854287.db2.gz RDYZXFNKTRRPHY-NSHDSACASA-N 0 3 293.327 0.488 20 5 CCBDHN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCCN1C ZINC000343553921 137141555 /nfs/dbraw/zinc/14/15/55/137141555.db2.gz VKQZLGZAVWLFOR-HTQZYQBOSA-N 0 3 266.305 0.692 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CC[C@H](O)[C@@H]3C2)n1 ZINC000344028070 137174479 /nfs/dbraw/zinc/17/44/79/137174479.db2.gz MFPMUTFYIRWIRD-AXFHLTTASA-N 0 3 266.301 0.494 20 5 CCBDHN CCc1nn(C)c(N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000273316544 192110353 /nfs/dbraw/zinc/11/03/53/192110353.db2.gz OLVWPBJHHJFYRZ-UHFFFAOYSA-N 0 3 253.306 0.641 20 5 CCBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCNCC1 ZINC000019504920 348063973 /nfs/dbraw/zinc/06/39/73/348063973.db2.gz PZIFGXIJBWUCAS-UHFFFAOYSA-N 0 3 263.297 0.959 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN[C@H]2CCS(=O)(=O)C2)cc1 ZINC000035677545 348160161 /nfs/dbraw/zinc/16/01/61/348160161.db2.gz RQQTUTNHBQJEBQ-NSHDSACASA-N 0 3 284.337 0.914 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CC([NH3+])C1 ZINC000036265947 348161670 /nfs/dbraw/zinc/16/16/70/348161670.db2.gz IVQVNIHQYDFDCJ-UHFFFAOYSA-N 0 3 285.325 0.671 20 5 CCBDHN CN(C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000120620656 349996271 /nfs/dbraw/zinc/99/62/71/349996271.db2.gz OCDTZYLIEKRMQD-UHFFFAOYSA-N 0 3 267.285 0.651 20 5 CCBDHN C[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000054244491 348545728 /nfs/dbraw/zinc/54/57/28/348545728.db2.gz MDAMQNVSLBETFN-UHFFFAOYSA-N 0 3 293.732 0.746 20 5 CCBDHN C[C@H]1[C@H](CO)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000412098985 233054049 /nfs/dbraw/zinc/05/40/49/233054049.db2.gz VYCXJECFJHZHNV-QWRGUYRKSA-N 0 3 268.317 0.884 20 5 CCBDHN CN1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000080882155 349231580 /nfs/dbraw/zinc/23/15/80/349231580.db2.gz PYSCFFAXZDRQLE-UHFFFAOYSA-N 0 3 293.323 0.781 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3nnc[nH]3)CC2)c1 ZINC000083424632 349305315 /nfs/dbraw/zinc/30/53/15/349305315.db2.gz JCRMZUVBKIFMCY-UHFFFAOYSA-N 0 3 291.315 0.789 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3nc[nH]n3)CC2)c1 ZINC000083424632 349305317 /nfs/dbraw/zinc/30/53/17/349305317.db2.gz JCRMZUVBKIFMCY-UHFFFAOYSA-N 0 3 291.315 0.789 20 5 CCBDHN CN1C(=O)CC[C@H](NCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000090029990 349422733 /nfs/dbraw/zinc/42/27/33/349422733.db2.gz MDYNXJPNYSBOOK-LBPRGKRZSA-N 0 3 291.307 0.874 20 5 CCBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](CN)C1 ZINC000124289470 350094088 /nfs/dbraw/zinc/09/40/88/350094088.db2.gz IDIIYWAHOPATNU-JTQLQIEISA-N 0 3 296.302 0.449 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OCCO)CC1 ZINC000129328995 350210968 /nfs/dbraw/zinc/21/09/68/350210968.db2.gz UDURCYOMBQMAAO-UHFFFAOYSA-N 0 3 298.343 0.573 20 5 CCBDHN CN(C)CC1(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCC1 ZINC000290961832 197871854 /nfs/dbraw/zinc/87/18/54/197871854.db2.gz OMJDFQPRCCSPJM-UHFFFAOYSA-N 0 3 293.327 0.985 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CNCCO1 ZINC000134274526 350359270 /nfs/dbraw/zinc/35/92/70/350359270.db2.gz SXJCFWGPIXNSCD-VIFPVBQESA-N 0 3 269.305 0.520 20 5 CCBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC000157364164 350644728 /nfs/dbraw/zinc/64/47/28/350644728.db2.gz QKWDTBUHRACFJO-FYJFLYSWSA-N 0 3 291.307 0.713 20 5 CCBDHN COC[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182667100 351367705 /nfs/dbraw/zinc/36/77/05/351367705.db2.gz OCLWAJVIAJVVDN-PWSUYJOCSA-N 0 3 296.327 0.483 20 5 CCBDHN CCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000122822731 187053719 /nfs/dbraw/zinc/05/37/19/187053719.db2.gz MMBQLAUZNKJZLN-UHFFFAOYSA-N 0 3 266.301 0.859 20 5 CCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N(C)C ZINC000230683357 352116827 /nfs/dbraw/zinc/11/68/27/352116827.db2.gz JDQQYPGERIMFAM-ZETCQYMHSA-N 0 3 267.289 0.252 20 5 CCBDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249008700 352473256 /nfs/dbraw/zinc/47/32/56/352473256.db2.gz IIWVGXKTGNCLHP-LYIQGSDWSA-N 0 3 298.343 0.386 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](O)C1 ZINC000249526131 352494791 /nfs/dbraw/zinc/49/47/91/352494791.db2.gz UAUXINYYTHSENH-NEPJUHHUSA-N 0 3 296.323 0.791 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](CO)C2)c1 ZINC000267031109 352739695 /nfs/dbraw/zinc/73/96/95/352739695.db2.gz MQEPSTIYAZQFMN-SNVBAGLBSA-N 0 3 254.290 0.496 20 5 CCBDHN C[C@H](CN1CCCCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271090873 353021995 /nfs/dbraw/zinc/02/19/95/353021995.db2.gz IDGRVZGPPPZZCT-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN C[C@@H](O)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272597808 353078527 /nfs/dbraw/zinc/07/85/27/353078527.db2.gz QKLLOKSOCNKISO-ZJUUUORDSA-N 0 3 254.290 0.494 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000153118525 188066059 /nfs/dbraw/zinc/06/60/59/188066059.db2.gz JLFBUYPPHUVPIO-ZDUSSCGKSA-N 0 3 281.312 0.637 20 5 CCBDHN CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531634178 358475813 /nfs/dbraw/zinc/47/58/13/358475813.db2.gz LAYTZXJXVRWSKF-UHFFFAOYSA-N 0 3 252.274 0.623 20 5 CCBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000286245973 353572066 /nfs/dbraw/zinc/57/20/66/353572066.db2.gz UZVSLIXDOKXYAU-UHFFFAOYSA-N 0 3 282.300 0.143 20 5 CCBDHN CC(C)N(CCN(C)C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290883698 353756452 /nfs/dbraw/zinc/75/64/52/353756452.db2.gz CGTHSSYNZNKETC-UHFFFAOYSA-N 0 3 295.343 0.865 20 5 CCBDHN CN1CCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290628105 353738503 /nfs/dbraw/zinc/73/85/03/353738503.db2.gz MESCCNUARSTOQZ-QMMMGPOBSA-N 0 3 279.300 0.595 20 5 CCBDHN COC[C@@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293653492 353827653 /nfs/dbraw/zinc/82/76/53/353827653.db2.gz IRKKDGIKGCUYSR-WPRPVWTQSA-N 0 3 269.301 0.835 20 5 CCBDHN CN1CC[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 ZINC000293929372 353851880 /nfs/dbraw/zinc/85/18/80/353851880.db2.gz QFWXXCKREQQJBP-LBPRGKRZSA-N 0 3 279.300 0.486 20 5 CCBDHN C[C@H](NCCC(=O)NC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000298741984 353967645 /nfs/dbraw/zinc/96/76/45/353967645.db2.gz BWWVPLHTKWZUPW-QMMMGPOBSA-N 0 3 280.284 0.830 20 5 CCBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299241143 354001598 /nfs/dbraw/zinc/00/15/98/354001598.db2.gz OTJVEEDXHNIXTO-UHFFFAOYSA-N 0 3 296.327 0.764 20 5 CCBDHN C[C@@H]1CCC[C@H](CO)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000305876461 354167746 /nfs/dbraw/zinc/16/77/46/354167746.db2.gz RFSCSQWQWCPQOT-DGCLKSJQSA-N 0 3 295.339 0.992 20 5 CCBDHN CS[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1N(C)C ZINC000332637903 354708143 /nfs/dbraw/zinc/70/81/43/354708143.db2.gz INXOXFDEKZNVSO-ONGXEEELSA-N 0 3 299.400 0.806 20 5 CCBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000348661384 355961186 /nfs/dbraw/zinc/96/11/86/355961186.db2.gz MIIMEUMGXAWMSS-UHFFFAOYSA-N 0 3 253.262 0.144 20 5 CCBDHN CC1(C)[C@H](O)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000361402226 138035315 /nfs/dbraw/zinc/03/53/15/138035315.db2.gz HGBLRGPNEMCVGC-SNVBAGLBSA-N 0 3 254.290 0.637 20 5 CCBDHN CS[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000619789788 366354444 /nfs/dbraw/zinc/35/44/44/366354444.db2.gz NQHMXMAXVXJOCR-BDAKNGLRSA-N 0 3 299.356 0.436 20 5 CCBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000356290436 356741073 /nfs/dbraw/zinc/74/10/73/356741073.db2.gz MXIKKOXWOAHIPV-UHFFFAOYSA-N 0 3 267.289 0.484 20 5 CCBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])o1 ZINC000449657653 236043760 /nfs/dbraw/zinc/04/37/60/236043760.db2.gz QEDUTGLXJFPATL-SSDOTTSWSA-N 0 3 275.211 0.915 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](CN)C(F)(F)F ZINC000401756851 357804893 /nfs/dbraw/zinc/80/48/93/357804893.db2.gz FHAFUQBZHKLYKR-ZETCQYMHSA-N 0 3 280.206 0.553 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C ZINC000408072202 357903473 /nfs/dbraw/zinc/90/34/73/357903473.db2.gz NAOGARXFCCYALM-YUMQZZPRSA-N 0 3 267.289 0.530 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408226532 357980429 /nfs/dbraw/zinc/98/04/29/357980429.db2.gz OKZMTJLYBVUSRD-APPZFPTMSA-N 0 3 281.316 0.839 20 5 CCBDHN C[C@@H](NC[C@@]1(O)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294746402 199163322 /nfs/dbraw/zinc/16/33/22/199163322.db2.gz LSGXHNDLWWLRKI-RNCFNFMXSA-N 0 3 281.312 0.979 20 5 CCBDHN Cc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1[N+](=O)[O-] ZINC000573588950 358980992 /nfs/dbraw/zinc/98/09/92/358980992.db2.gz SMLWSDRAHCYEIP-VHSXEESVSA-N 0 3 293.327 0.935 20 5 CCBDHN Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1[N+](=O)[O-] ZINC000573588950 358980995 /nfs/dbraw/zinc/98/09/95/358980995.db2.gz SMLWSDRAHCYEIP-VHSXEESVSA-N 0 3 293.327 0.935 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000588866912 359344703 /nfs/dbraw/zinc/34/47/03/359344703.db2.gz SLZIHDAKIQYZTM-SNVBAGLBSA-N 0 3 297.311 0.012 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCCN2C[C@H](CO)[C@H](O)C2)cc1 ZINC000590971086 359544065 /nfs/dbraw/zinc/54/40/65/359544065.db2.gz NBRKMSYLRWUPCV-BXUZGUMPSA-N 0 3 296.323 0.649 20 5 CCBDHN COC(=O)[C@@H]1CNCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000592435727 359840696 /nfs/dbraw/zinc/84/06/96/359840696.db2.gz WICZNOAPTQHTOY-ZDUSSCGKSA-N 0 3 293.323 0.932 20 5 CCBDHN CCCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(C)C1 ZINC000592830448 359947569 /nfs/dbraw/zinc/94/75/69/359947569.db2.gz FBEPVZRCECANBZ-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN C[C@@H](O)CN(CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000594061139 360244477 /nfs/dbraw/zinc/24/44/77/360244477.db2.gz CDUTWZPOHRZEMO-SECBINFHSA-N 0 3 254.290 0.637 20 5 CCBDHN N[C@@H]1C[C@H]2CN(c3sccc3[N+](=O)[O-])CCN2C1=O ZINC000594700791 360361407 /nfs/dbraw/zinc/36/14/07/360361407.db2.gz BUSQQODEBCKULS-JGVFFNPUSA-N 0 3 282.325 0.405 20 5 CCBDHN CCN1CCC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000594895624 360411300 /nfs/dbraw/zinc/41/13/00/360411300.db2.gz KMWODIFEMIUZGI-NSHDSACASA-N 0 3 298.320 0.989 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)[C@H]1O ZINC000595743548 360636464 /nfs/dbraw/zinc/63/64/64/360636464.db2.gz NXDHBPZGGMYEHX-YABSGUDNSA-N 0 3 295.339 0.705 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@]1(C)CO ZINC000595875142 360687045 /nfs/dbraw/zinc/68/70/45/360687045.db2.gz PTBDPIXHWRDRRD-FZMZJTMJSA-N 0 3 295.339 0.707 20 5 CCBDHN C[C@]1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]C1 ZINC000596047878 360781096 /nfs/dbraw/zinc/78/10/96/360781096.db2.gz BZQWGXHJHNCQAK-JTQLQIEISA-N 0 3 286.313 0.020 20 5 CCBDHN CNc1ccc(C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000563700416 291247179 /nfs/dbraw/zinc/24/71/79/291247179.db2.gz GVEGGWRKSGZJNL-SNVBAGLBSA-N 0 3 294.311 0.355 20 5 CCBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000597922707 361283590 /nfs/dbraw/zinc/28/35/90/361283590.db2.gz KZWVIBIBKLMYII-QMMMGPOBSA-N 0 3 281.316 0.921 20 5 CCBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000597922705 361283617 /nfs/dbraw/zinc/28/36/17/361283617.db2.gz KZWVIBIBKLMYII-MRVPVSSYSA-N 0 3 281.316 0.921 20 5 CCBDHN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(CC)C1 ZINC000598042579 361322370 /nfs/dbraw/zinc/32/23/70/361322370.db2.gz PZHFPAKAVHKAOX-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN CCc1n[nH]c(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598574640 361447858 /nfs/dbraw/zinc/44/78/58/361447858.db2.gz SJBKBNPBPNOOHM-SNVBAGLBSA-N 0 3 295.343 0.950 20 5 CCBDHN CCc1[nH]nc(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598574640 361447861 /nfs/dbraw/zinc/44/78/61/361447861.db2.gz SJBKBNPBPNOOHM-SNVBAGLBSA-N 0 3 295.343 0.950 20 5 CCBDHN CC(C)(CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914556 361530790 /nfs/dbraw/zinc/53/07/90/361530790.db2.gz HESRMWPNAYCZLE-UHFFFAOYSA-N 0 3 280.284 0.387 20 5 CCBDHN CN1CCN(CC2CN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000599104290 361574167 /nfs/dbraw/zinc/57/41/67/361574167.db2.gz FGFZHRQUDZZDRQ-UHFFFAOYSA-N 0 3 291.355 0.673 20 5 CCBDHN CN1CC[C@@](O)(CNc2cccnc2[N+](=O)[O-])C1 ZINC000613049669 364100823 /nfs/dbraw/zinc/10/08/23/364100823.db2.gz DJXOMJSRSZTWTL-LLVKDONJSA-N 0 3 252.274 0.468 20 5 CCBDHN CC(C)Oc1nc(NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000565157144 291348793 /nfs/dbraw/zinc/34/87/93/291348793.db2.gz LZWNXGRWKJOSHR-JTQLQIEISA-N 0 3 296.327 0.599 20 5 CCBDHN CN1CCNC[C@@H]1CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000394850459 285218890 /nfs/dbraw/zinc/21/88/90/285218890.db2.gz FJESZZQQFJMJGX-SNVBAGLBSA-N 0 3 290.327 0.209 20 5 CCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CCCC1 ZINC000044679989 388872566 /nfs/dbraw/zinc/87/25/66/388872566.db2.gz NVXLHGJMIMZXQH-UHFFFAOYSA-N 0 3 267.289 0.003 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC(C)(C)CO ZINC000295338691 389002847 /nfs/dbraw/zinc/00/28/47/389002847.db2.gz XRMRIJUOHOCUPI-UHFFFAOYSA-N 0 3 256.306 0.742 20 5 CCBDHN C[C@@H]1CCN(C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000354595855 389028644 /nfs/dbraw/zinc/02/86/44/389028644.db2.gz NZRLSVBBZJDMMJ-SECBINFHSA-N 0 3 251.290 0.915 20 5 CCBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N(C)C ZINC000298453956 389022054 /nfs/dbraw/zinc/02/20/54/389022054.db2.gz HWPUGPALCBYKTO-SSDOTTSWSA-N 0 3 267.289 0.451 20 5 CCBDHN COCCNCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000215526312 389132399 /nfs/dbraw/zinc/13/23/99/389132399.db2.gz JVZAFPWQLUEEDK-UHFFFAOYSA-N 0 3 254.290 0.946 20 5 CCBDHN COCCN(CCN(C)C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000264237840 389314751 /nfs/dbraw/zinc/31/47/51/389314751.db2.gz ZGWVMHCLCLICAM-UHFFFAOYSA-N 0 3 299.331 0.277 20 5 CCBDHN COCCN(CCN(C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264237840 389314754 /nfs/dbraw/zinc/31/47/54/389314754.db2.gz ZGWVMHCLCLICAM-UHFFFAOYSA-N 0 3 299.331 0.277 20 5 CCBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000422045647 389394300 /nfs/dbraw/zinc/39/43/00/389394300.db2.gz ZACPKPSFEYIEMP-QMMMGPOBSA-N 0 3 267.289 0.484 20 5 CCBDHN CC1=CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000280689763 389604012 /nfs/dbraw/zinc/60/40/12/389604012.db2.gz AZSUWFQEVWIFLF-GFCCVEGCSA-N 0 3 266.301 0.804 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@](O)(C3CC3)C2)c1 ZINC000377104454 389744373 /nfs/dbraw/zinc/74/43/73/389744373.db2.gz QZTFOOIJNVHXEO-GFCCVEGCSA-N 0 3 266.301 0.638 20 5 CCBDHN CC(C)OC[C@H](CO)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000433147991 389901607 /nfs/dbraw/zinc/90/16/07/389901607.db2.gz PTPWUNKEVKFBSV-LBPRGKRZSA-N 0 3 286.332 0.509 20 5 CCBDHN C[C@@H]1CCCN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000579427809 390171655 /nfs/dbraw/zinc/17/16/55/390171655.db2.gz OMJYHXQNFSHOLM-SECBINFHSA-N 0 3 281.316 0.780 20 5 CCBDHN CN(C)C(=O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580793330 390248061 /nfs/dbraw/zinc/24/80/61/390248061.db2.gz BZPZYSMZUSRBJI-NSHDSACASA-N 0 3 297.311 0.012 20 5 CCBDHN C[C@@H](NCC(=O)N1CCNCC1)c1ccc([N+](=O)[O-])cc1 ZINC000519765311 390539655 /nfs/dbraw/zinc/53/96/55/390539655.db2.gz OIGGGLNKFKQHMR-LLVKDONJSA-N 0 3 292.339 0.677 20 5 CCBDHN NC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000519768590 390540609 /nfs/dbraw/zinc/54/06/09/390540609.db2.gz LHVPUQOJPTXKST-UHFFFAOYSA-N 0 3 262.269 0.366 20 5 CCBDHN NC(=O)NC(=O)CCNCCOc1ccc([N+](=O)[O-])cc1 ZINC000521612623 390611820 /nfs/dbraw/zinc/61/18/20/390611820.db2.gz OJDBLTVEHLUUGR-UHFFFAOYSA-N 0 3 296.283 0.148 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCNC[C@@H]2C(F)F)n1 ZINC000574917294 390825355 /nfs/dbraw/zinc/82/53/55/390825355.db2.gz FEVLFDOQGDORSP-MRVPVSSYSA-N 0 3 275.259 0.330 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000262798749 131263249 /nfs/dbraw/zinc/26/32/49/131263249.db2.gz OSAIYRJYRMKYGJ-DTWKUNHWSA-N 0 3 267.289 0.000 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1C ZINC000262849483 131267905 /nfs/dbraw/zinc/26/79/05/131267905.db2.gz ZHIVVTUWXIGOPF-RKDXNWHRSA-N 0 3 278.312 0.999 20 5 CCBDHN NC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000088130848 135052638 /nfs/dbraw/zinc/05/26/38/135052638.db2.gz AKYMORAGQGFAHL-UHFFFAOYSA-N 0 3 290.323 0.735 20 5 CCBDHN CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CCN(C2CC2)C1 ZINC000356481009 144006647 /nfs/dbraw/zinc/00/66/47/144006647.db2.gz PFQVLKDKQZHFBH-SNVBAGLBSA-N 0 3 293.327 0.637 20 5 CCBDHN C[C@@H]1[C@H](C)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000357005682 144049988 /nfs/dbraw/zinc/04/99/88/144049988.db2.gz RLXCSGSKOBEDRR-NTZNESFSSA-N 0 3 297.359 0.177 20 5 CCBDHN COC[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369695243 144277182 /nfs/dbraw/zinc/27/71/82/144277182.db2.gz QDOHWHPMVCSMGM-LLVKDONJSA-N 0 3 284.316 0.436 20 5 CCBDHN O=C(NCCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])n[n-]1 ZINC000284974757 196168511 /nfs/dbraw/zinc/16/85/11/196168511.db2.gz ATXMICPMGISFBY-UHFFFAOYSA-N 0 3 297.315 0.160 20 5 CCBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000285073768 196191705 /nfs/dbraw/zinc/19/17/05/196191705.db2.gz LLJXICUACXNZKR-UHFFFAOYSA-N 0 3 253.262 0.142 20 5 CCBDHN CN(C)C(=O)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000035677741 172348656 /nfs/dbraw/zinc/34/86/56/172348656.db2.gz PNKMHSVQDKPVHT-UHFFFAOYSA-N 0 3 251.286 0.815 20 5 CCBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1N(C)C ZINC000285669007 196361281 /nfs/dbraw/zinc/36/12/81/196361281.db2.gz DVNBSFFJTQWFGB-DTWKUNHWSA-N 0 3 299.356 0.436 20 5 CCBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285695991 196368625 /nfs/dbraw/zinc/36/86/25/196368625.db2.gz HFLJDHHTJWFVQQ-MWLCHTKSSA-N 0 3 293.327 0.874 20 5 CCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNCC1 ZINC000037395753 173175745 /nfs/dbraw/zinc/17/57/45/173175745.db2.gz SENMWASICRDGPT-UHFFFAOYSA-N 0 3 294.311 0.447 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCNCC1 ZINC000020213935 274894580 /nfs/dbraw/zinc/89/45/80/274894580.db2.gz SLWAWGXMZLNYJO-UHFFFAOYSA-N 0 3 252.274 0.369 20 5 CCBDHN CCN(CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C)C1CC1 ZINC000171508900 276129982 /nfs/dbraw/zinc/12/99/82/276129982.db2.gz ORMGHPPOYHBNPK-UHFFFAOYSA-N 0 3 295.343 0.851 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CC[NH3+] ZINC000311758239 281261855 /nfs/dbraw/zinc/26/18/55/281261855.db2.gz VYDOENDKJANXCP-VIFPVBQESA-N 0 3 287.341 0.919 20 5 CCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CCCC1 ZINC000194509162 295488045 /nfs/dbraw/zinc/48/80/45/295488045.db2.gz JORGWQJLGMRXON-UHFFFAOYSA-N 0 3 281.316 0.393 20 5 CCBDHN CN(C)[C@@]1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCSC1 ZINC000580290000 327765698 /nfs/dbraw/zinc/76/56/98/327765698.db2.gz WOHIYIRXPJZHSO-LLVKDONJSA-N 0 3 299.356 0.485 20 5 CCBDHN COCCN(C)C[C@H](O)Cn1cc(C)c([N+](=O)[O-])n1 ZINC000388785405 328303457 /nfs/dbraw/zinc/30/34/57/328303457.db2.gz RBSUDVDYGAWMMJ-JTQLQIEISA-N 0 3 272.305 0.039 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCNC[C@@H]2C(F)F)c1 ZINC000576521102 335214371 /nfs/dbraw/zinc/21/43/71/335214371.db2.gz LRASMJCYKLCYPX-SECBINFHSA-N 0 3 275.259 0.330 20 5 CCBDHN CN(CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360520 336018474 /nfs/dbraw/zinc/01/84/74/336018474.db2.gz DSQXCIJZFRYNFZ-JTQLQIEISA-N 0 3 270.285 0.259 20 5 CCBDHN CCOC(=O)CCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000362173264 535644858 /nfs/dbraw/zinc/64/48/58/535644858.db2.gz LAUNIZOKGQLYFX-UHFFFAOYSA-N 0 3 270.289 0.676 20 5 CCBDHN C[C@@H]1NCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1C ZINC000423618358 534130486 /nfs/dbraw/zinc/13/04/86/534130486.db2.gz UIXGNMHILAMPDT-BQBZGAKWSA-N 0 3 253.262 0.140 20 5 CCBDHN [NH3+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000019992129 534635893 /nfs/dbraw/zinc/63/58/93/534635893.db2.gz CRDUQVWHRSHHGN-UHFFFAOYSA-N 0 3 279.705 0.485 20 5 CCBDHN C[C@@H]1CCCCN1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055377239 524107104 /nfs/dbraw/zinc/10/71/04/524107104.db2.gz MLGMMJCELZRUQT-LLVKDONJSA-N 0 3 295.343 0.782 20 5 CCBDHN Cc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000157361189 526176903 /nfs/dbraw/zinc/17/69/03/526176903.db2.gz DZJUGUJNVJJCLS-NSHDSACASA-N 0 3 279.296 0.621 20 5 CCBDHN CC[C@H]1[C@H](CO)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000451257220 529344476 /nfs/dbraw/zinc/34/44/76/529344476.db2.gz PUTBOEAOWIEYNH-JQWIXIFHSA-N 0 3 268.317 0.884 20 5 CCBDHN Cc1nn(C)c(C(=O)NCCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000783915753 581367546 /nfs/dbraw/zinc/36/75/46/581367546.db2.gz GTTQAMCQOIWLHQ-VIFPVBQESA-N 0 3 295.343 0.851 20 5 CCBDHN C[C@H](O)CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000785538939 581411952 /nfs/dbraw/zinc/41/19/52/581411952.db2.gz ZLDJLYJPUTZZFM-COPLHBTASA-N 0 3 298.339 0.692 20 5 CCBDHN C[C@]1(C(N)=O)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796576260 581444044 /nfs/dbraw/zinc/44/40/44/581444044.db2.gz RLUUAISNMMOREP-OCCSQVGLSA-N 0 3 293.323 0.826 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000768765277 581654725 /nfs/dbraw/zinc/65/47/25/581654725.db2.gz CJNQUQNWELIUSH-JIMOISOXSA-N 0 3 266.297 0.941 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H](O)c2ccco2)c1 ZINC000743259946 581805221 /nfs/dbraw/zinc/80/52/21/581805221.db2.gz RGJJSDBIGDYLMD-GHMZBOCLSA-N 0 3 296.283 0.068 20 5 CCBDHN CC(C)[C@H](CN(C)C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000733164082 581868091 /nfs/dbraw/zinc/86/80/91/581868091.db2.gz LQVOAHOAPBCPLT-JTQLQIEISA-N 0 3 283.332 0.494 20 5 CCBDHN Cc1nn(C)c(C(=O)N[C@@H](CN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000733168493 581868580 /nfs/dbraw/zinc/86/85/80/581868580.db2.gz VFLCGZXYZBQQFG-JTQLQIEISA-N 0 3 297.359 0.953 20 5 CCBDHN CC(=O)N[C@H](CC1CCC1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107890 614115753 /nfs/dbraw/zinc/11/57/53/614115753.db2.gz YPXIEMYRQJAOSY-GZMMTYOYSA-N 0 3 272.301 0.890 20 5 CCBDHN COc1cccc([N+](=O)[O-])c1NCCN(C)CCO ZINC000884825360 617310506 /nfs/dbraw/zinc/31/05/06/617310506.db2.gz RZEAFWCMCFCGCJ-UHFFFAOYSA-N 0 3 269.301 0.939 20 5 CCBDHN CC(C)C[C@@]1(C(=O)OCC(C)[N+](=O)[O-])CCNC1=O ZINC000870376248 614209326 /nfs/dbraw/zinc/20/93/26/614209326.db2.gz DVAPLZJQZUFFAX-SKDRFNHKSA-N 0 3 272.301 0.747 20 5 CCBDHN CC(C)C[C@]1(C(=O)OCC(C)[N+](=O)[O-])CCNC1=O ZINC000870376247 614230069 /nfs/dbraw/zinc/23/00/69/614230069.db2.gz DVAPLZJQZUFFAX-JOYOIKCWSA-N 0 3 272.301 0.747 20 5 CCBDHN CCCc1n[nH]c(C(=O)N2CCN3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000597707504 614461727 /nfs/dbraw/zinc/46/17/27/614461727.db2.gz CWXQVAQVNQHDQP-VIFPVBQESA-N 0 3 293.327 0.801 20 5 CCBDHN CCCc1[nH]nc(C(=O)N2CCN3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000597707504 614461728 /nfs/dbraw/zinc/46/17/28/614461728.db2.gz CWXQVAQVNQHDQP-VIFPVBQESA-N 0 3 293.327 0.801 20 5 CCBDHN CCCNC(=O)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107152 614844430 /nfs/dbraw/zinc/84/44/30/614844430.db2.gz LDFNJEYSUXTHIX-SECBINFHSA-N 0 3 260.290 0.891 20 5 CCBDHN CCC(=O)N[C@H](CCSC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103151 614977875 /nfs/dbraw/zinc/97/78/75/614977875.db2.gz AISRPTHAPVWXSX-RKDXNWHRSA-N 0 3 292.357 0.843 20 5 CCBDHN CCOC(=O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000932645969 615291425 /nfs/dbraw/zinc/29/14/25/615291425.db2.gz WOCVHRHTUIEBRA-SNVBAGLBSA-N 0 3 282.300 0.676 20 5 CCBDHN CC[C@@H](CO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000857329879 615490729 /nfs/dbraw/zinc/49/07/29/615490729.db2.gz ODVOHBYZCRYLJG-NSHDSACASA-N 0 3 293.323 0.844 20 5 CCBDHN CCc1cc(N2CCC[C@H](NCC[N+](=O)[O-])C2)ncn1 ZINC000905108144 615652424 /nfs/dbraw/zinc/65/24/24/615652424.db2.gz DJNZECQFATVLER-LBPRGKRZSA-N 0 3 279.344 0.874 20 5 CCBDHN CN(CCNc1ccc([N+](=O)[O-])cc1)CCOCCO ZINC000882952556 616097630 /nfs/dbraw/zinc/09/76/30/616097630.db2.gz YAJZCELKWFMKQF-UHFFFAOYSA-N 0 3 283.328 0.947 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000912603462 616101019 /nfs/dbraw/zinc/10/10/19/616101019.db2.gz GIEXKDIWTWYDAZ-UHFFFAOYSA-N 0 3 299.302 0.730 20 5 CCBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000923301586 616308528 /nfs/dbraw/zinc/30/85/28/616308528.db2.gz IFLHEDONMUBXBE-WDEREUQCSA-N 0 3 293.327 0.486 20 5 CCBDHN COCCN1CCC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000892303187 616354907 /nfs/dbraw/zinc/35/49/07/616354907.db2.gz DXZSJSGAIXNCKN-JTQLQIEISA-N 0 3 283.332 0.851 20 5 CCBDHN COCCN(CCN(C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823128802 617013657 /nfs/dbraw/zinc/01/36/57/617013657.db2.gz INNVPFUJEUKCBR-UHFFFAOYSA-N 0 3 289.376 0.859 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)[N+](=O)[O-] ZINC000813115465 624677530 /nfs/dbraw/zinc/67/75/30/624677530.db2.gz SSQLAVOQWIMOBG-RKDXNWHRSA-N 0 3 272.301 0.842 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCCN1CCCO ZINC000894022635 631500987 /nfs/dbraw/zinc/50/09/87/631500987.db2.gz YUUHISQYTURJSY-JTQLQIEISA-N 0 3 283.332 0.587 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCN1C1CCOCC1 ZINC000896525779 632265183 /nfs/dbraw/zinc/26/51/83/632265183.db2.gz OTYZQSGEJYOGDC-NSHDSACASA-N 0 3 295.343 0.994 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC([NH+]2CCCC2)C1 ZINC000912325990 636554470 /nfs/dbraw/zinc/55/44/70/636554470.db2.gz DGEXRFMQIKHIKE-UHFFFAOYSA-N 0 3 264.285 0.843 20 5 CCBDHN Cn1nc2c(c1CNCCn1cc([N+](=O)[O-])cn1)CCC2 ZINC000921862104 639375109 /nfs/dbraw/zinc/37/51/09/639375109.db2.gz MPVJYRLBHDZANM-UHFFFAOYSA-N 0 3 290.327 0.803 20 5 CCBDHN CC(COC(=O)C1CCN(c2cnccn2)CC1)[N+](=O)[O-] ZINC000813103724 641021990 /nfs/dbraw/zinc/02/19/90/641021990.db2.gz GLHZQZFGUUOODK-JTQLQIEISA-N 0 3 294.311 0.901 20 5 CCBDHN CC(COC(=O)c1cnc2n[nH]nc2c1)[N+](=O)[O-] ZINC000813105625 641022702 /nfs/dbraw/zinc/02/27/02/641022702.db2.gz QSDCEMDULHMAFH-YFKPBYRVSA-N 0 3 251.202 0.175 20 5 CCBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)[N+](=O)[O-] ZINC000813107189 641023653 /nfs/dbraw/zinc/02/36/53/641023653.db2.gz METYFAVORORSEI-MWLCHTKSSA-N 0 3 284.312 0.843 20 5 CCBDHN Cc1ccn2ncc(C(=O)OCC(C)[N+](=O)[O-])c2n1 ZINC000813108590 641023805 /nfs/dbraw/zinc/02/38/05/641023805.db2.gz HYHHJWBYBTWVRT-QMMMGPOBSA-N 0 3 264.241 0.860 20 5 CCBDHN CC(COC(=O)C[C@@H]1Oc2ccccc2NC1=O)[N+](=O)[O-] ZINC000813106591 641023855 /nfs/dbraw/zinc/02/38/55/641023855.db2.gz FQPWOWSDEQTBTP-KCJUWKMLSA-N 0 3 294.263 0.985 20 5 CCBDHN CC(COC(=O)c1cc(OC(F)F)n(C)n1)[N+](=O)[O-] ZINC000813108254 641023879 /nfs/dbraw/zinc/02/38/79/641023879.db2.gz WZJCVJXCKJLLQA-RXMQYKEDSA-N 0 3 279.199 0.844 20 5 CCBDHN Cc1ccn(CC(=O)OCC(C)[N+](=O)[O-])c(=O)c1 ZINC000813111301 641024569 /nfs/dbraw/zinc/02/45/69/641024569.db2.gz GDKVFSMVYKBWRQ-VIFPVBQESA-N 0 3 254.242 0.365 20 5 CCBDHN CC(COC(=O)[C@H](C)NC(=O)c1ccoc1)[N+](=O)[O-] ZINC000813113973 641024651 /nfs/dbraw/zinc/02/46/51/641024651.db2.gz XHNLLMVYNDAIQY-YUMQZZPRSA-N 0 3 270.241 0.606 20 5 CCBDHN CC(COC(=O)CN1Cc2ccccc2C1=O)[N+](=O)[O-] ZINC000813111856 641024975 /nfs/dbraw/zinc/02/49/75/641024975.db2.gz AVSWNDVFAUXPKA-SECBINFHSA-N 0 3 278.264 0.851 20 5 CCBDHN CC(COC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21)[N+](=O)[O-] ZINC000851037396 643828828 /nfs/dbraw/zinc/82/88/28/643828828.db2.gz UTNWYKDHTIOHOL-LMLFDSFASA-N 0 3 284.312 0.890 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874845562 646490453 /nfs/dbraw/zinc/49/04/53/646490453.db2.gz VZXLMVRFUIPNKH-VHSXEESVSA-N 0 3 293.327 0.935 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874845562 646490457 /nfs/dbraw/zinc/49/04/57/646490457.db2.gz VZXLMVRFUIPNKH-VHSXEESVSA-N 0 3 293.327 0.935 20 5 CCBDHN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000886241362 647928601 /nfs/dbraw/zinc/92/86/01/647928601.db2.gz WNIYFFCFUWZCKS-WLLOZRIZSA-N 0 3 252.270 0.569 20 5 CCBDHN COC(=O)c1cnc(-n2cnc(CN)c2)c([N+](=O)[O-])c1 ZINC001154907077 800867003 /nfs/dbraw/zinc/86/70/03/800867003.db2.gz UMSVRHMANLMCGT-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN O=[N+]([O-])c1cccc(NCc2nnn3c2CNCCC3)n1 ZINC001155393973 800966296 /nfs/dbraw/zinc/96/62/96/800966296.db2.gz LRXVKRBAOWMUCD-UHFFFAOYSA-N 0 3 289.299 0.687 20 5 CCBDHN Cc1ccnc(N(C)S(=O)(=O)CCN)c1[N+](=O)[O-] ZINC001156231488 801134141 /nfs/dbraw/zinc/13/41/41/801134141.db2.gz IOERLDBNADVQJG-UHFFFAOYSA-N 0 3 274.302 0.023 20 5 CCBDHN COc1nc(N2C[C@H]3CCCN(C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001157259775 801336108 /nfs/dbraw/zinc/33/61/08/801336108.db2.gz FYLZNNRQKHLYDQ-KOLCDFICSA-N 0 3 293.327 0.924 20 5 CCBDHN CN1CCN(C(=N)Nc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001157915835 801521121 /nfs/dbraw/zinc/52/11/21/801521121.db2.gz WWXRIRMWRHQUEQ-UHFFFAOYSA-N 0 3 279.304 0.166 20 5 CCBDHN COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1nccc1CN ZINC001162594046 802374271 /nfs/dbraw/zinc/37/42/71/802374271.db2.gz YLTMFVSKSMOSRA-UHFFFAOYSA-N 0 3 291.267 0.729 20 5 CCBDHN COc1nc(N2CC(N(C)C)C2)ccc1[N+](=O)[O-] ZINC001163933319 802635716 /nfs/dbraw/zinc/63/57/16/802635716.db2.gz GAROZPFLHZFTQH-UHFFFAOYSA-N 0 3 252.274 0.749 20 5 CCBDHN Cc1cc(CN)nn1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001163988340 802646614 /nfs/dbraw/zinc/64/66/14/802646614.db2.gz MAUHTXBDQBECGF-UHFFFAOYSA-N 0 3 287.279 0.791 20 5 CCBDHN CN(c1ccc2nc[nH]c2c1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164296865 802711258 /nfs/dbraw/zinc/71/12/58/802711258.db2.gz BKPAHTHKRARWCC-UHFFFAOYSA-N 0 3 299.312 0.196 20 5 CCBDHN Cc1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001126943997 815355008 /nfs/dbraw/zinc/35/50/08/815355008.db2.gz ZODBYVVJIHUEPM-NXEZZACHSA-N 0 3 284.341 0.323 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000691305001 817876961 /nfs/dbraw/zinc/87/69/61/817876961.db2.gz ZDUMDGCEOBXBBT-UHFFFAOYSA-N 0 3 281.312 0.591 20 5 CCBDHN COc1ccc(NC(=N)N2CCN(C)CC2)nc1[N+](=O)[O-] ZINC001168736029 818540475 /nfs/dbraw/zinc/54/04/75/818540475.db2.gz IOXICRZIWJHXHU-UHFFFAOYSA-N 0 3 294.315 0.592 20 5 CCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NOCCN(C)C ZINC001118705424 820777921 /nfs/dbraw/zinc/77/79/21/820777921.db2.gz QQBACSQRXGORHC-UHFFFAOYSA-N 0 3 282.300 0.860 20 5 CCBDHN COC(=O)CC1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037736 836112749 /nfs/dbraw/zinc/11/27/49/836112749.db2.gz TXQUYTCRQHYNKD-MWLCHTKSSA-N 0 3 256.302 0.927 20 5 CCBDHN CC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169048227 836116591 /nfs/dbraw/zinc/11/65/91/836116591.db2.gz UAGDHOQWOODCLM-CYZMBNFOSA-N 0 3 269.345 0.984 20 5 CCBDHN C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170566303 838122346 /nfs/dbraw/zinc/12/23/46/838122346.db2.gz FPMSZLNSAYFAHE-PSASIEDQSA-N 0 3 252.274 0.779 20 5 CCBDHN C[C@H](Nc1nccc(N)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170567035 838129011 /nfs/dbraw/zinc/12/90/11/838129011.db2.gz BYMQZYBVHBRGMK-CBAPKCEASA-N 0 3 267.289 0.361 20 5 CCBDHN COC(=O)c1cnc(N2CCNC3(CC3)C2)c([N+](=O)[O-])c1 ZINC001158936515 838694018 /nfs/dbraw/zinc/69/40/18/838694018.db2.gz HGNDNKBDQBMTCA-UHFFFAOYSA-N 0 3 292.295 0.719 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C(C)(C)C ZINC001171793750 841768526 /nfs/dbraw/zinc/76/85/26/841768526.db2.gz WZRDCGAYZCWRDM-UHFFFAOYSA-N 0 3 297.359 0.970 20 5 CCBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])c[nH]1 ZINC001292419619 906213237 /nfs/dbraw/zinc/21/32/37/906213237.db2.gz LCSJODOXOFMSDR-ONGXEEELSA-N 0 3 294.311 0.516 20 5 CCBDHN C[C@@H](NC(=O)[C@@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC001339922618 921880102 /nfs/dbraw/zinc/88/01/02/921880102.db2.gz JQXHYFLLNOMBMK-MFKMUULPSA-N 0 3 292.339 0.676 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)CN[C@H](C)[C@H]1C ZINC001342629456 923028511 /nfs/dbraw/zinc/02/85/11/923028511.db2.gz LYQIOSSWNRWTMT-OPRDCNLKSA-N 0 3 295.343 0.697 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001352096704 925522214 /nfs/dbraw/zinc/52/22/14/925522214.db2.gz HRNXNPPLXVDUKF-GHMZBOCLSA-N 0 3 295.343 0.364 20 5 CCBDHN CN(C)[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000103945218 349704555 /nfs/dbraw/zinc/70/45/55/349704555.db2.gz MCNJEAORFSQMRX-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1C ZINC000600694632 362035256 /nfs/dbraw/zinc/03/52/56/362035256.db2.gz KGKMEZPGNKLQNF-VIFPVBQESA-N 0 3 266.301 0.757 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](O)C2)c1 ZINC000114486438 349834535 /nfs/dbraw/zinc/83/45/35/349834535.db2.gz KDMMQNUZPOQUKW-VXGBXAGGSA-N 0 3 282.296 0.401 20 5 CCBDHN C[C@H]1OCC[C@@H]1N(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000361562156 232154774 /nfs/dbraw/zinc/15/47/74/232154774.db2.gz HYQDAAPSKGAILJ-PWSUYJOCSA-N 0 3 284.316 0.263 20 5 CCBDHN C[C@@H](O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000305879446 201831383 /nfs/dbraw/zinc/83/13/83/201831383.db2.gz TWXQDSKJZAMSOJ-GHMZBOCLSA-N 0 3 281.312 0.459 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CCOC1 ZINC000602776481 362794557 /nfs/dbraw/zinc/79/45/57/362794557.db2.gz SLYMQCPPUGGJPM-SNVBAGLBSA-N 0 3 254.290 0.820 20 5 CCBDHN Cn1cc(CN2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])n1 ZINC000602840504 362829487 /nfs/dbraw/zinc/82/94/87/362829487.db2.gz NNQRTLQXUQYOOH-MWLCHTKSSA-N 0 3 265.317 0.464 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CNCCO1 ZINC000261579803 137010083 /nfs/dbraw/zinc/01/00/83/137010083.db2.gz FAKAYCPYXHFSBO-VIFPVBQESA-N 0 3 269.305 0.520 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN[C@H]2COC[C@H]2O)cc1 ZINC000040676038 348241128 /nfs/dbraw/zinc/24/11/28/348241128.db2.gz VIZADSNIJRHHMJ-NWDGAFQWSA-N 0 3 252.270 0.487 20 5 CCBDHN CN[C@@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000054076475 348541315 /nfs/dbraw/zinc/54/13/15/348541315.db2.gz LJNYESYEKHSWJE-NSHDSACASA-N 0 3 292.339 0.851 20 5 CCBDHN C[C@H](O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075738028 349049747 /nfs/dbraw/zinc/04/97/47/349049747.db2.gz FUODQTAEOTWEPM-GXFFZTMASA-N 0 3 298.343 0.245 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1OC[C@H]1CNCCO1 ZINC000080745190 349227776 /nfs/dbraw/zinc/22/77/76/349227776.db2.gz FMHSOKBTDCMFLU-SNVBAGLBSA-N 0 3 268.269 0.971 20 5 CCBDHN COc1cc([N+](=O)[O-])ccc1OC[C@H]1CNCCO1 ZINC000080745242 349227833 /nfs/dbraw/zinc/22/78/33/349227833.db2.gz WAEWYFYTZQTNHV-SNVBAGLBSA-N 0 3 268.269 0.971 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC23CCC3)c1 ZINC000081545382 349274693 /nfs/dbraw/zinc/27/46/93/349274693.db2.gz DCFHDLZJUOIWGM-NSHDSACASA-N 0 3 266.301 0.781 20 5 CCBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)CN1 ZINC000086467453 349339740 /nfs/dbraw/zinc/33/97/40/349339740.db2.gz PBLQRIXESYWHSN-IUCAKERBSA-N 0 3 266.301 0.756 20 5 CCBDHN CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000122577613 350066395 /nfs/dbraw/zinc/06/63/95/350066395.db2.gz ANBKWXROSVCFNS-VIFPVBQESA-N 0 3 284.341 0.371 20 5 CCBDHN C[C@]1(O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551680 180002369 /nfs/dbraw/zinc/00/23/69/180002369.db2.gz ACLDBQRVGGKOQQ-LBPRGKRZSA-N 0 3 267.285 0.213 20 5 CCBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000124312507 350095433 /nfs/dbraw/zinc/09/54/33/350095433.db2.gz NKYWSTAVHOFHHA-LBPRGKRZSA-N 0 3 278.312 0.310 20 5 CCBDHN Cc1nc(N2CCCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000134208877 350357496 /nfs/dbraw/zinc/35/74/96/350357496.db2.gz NEQTUJYVEZYVCP-UHFFFAOYSA-N 0 3 280.328 0.803 20 5 CCBDHN COCCN(C)CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000135857220 350409347 /nfs/dbraw/zinc/40/93/47/350409347.db2.gz CEWNMMPRYVPCKE-UHFFFAOYSA-N 0 3 285.304 0.016 20 5 CCBDHN Cc1cnc(OC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000164047051 350776189 /nfs/dbraw/zinc/77/61/89/350776189.db2.gz ZVVCBHNBIZOPTI-SECBINFHSA-N 0 3 253.258 0.665 20 5 CCBDHN C[C@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169189539 350836261 /nfs/dbraw/zinc/83/62/61/350836261.db2.gz MLMXHIFQXQNGAT-DTWKUNHWSA-N 0 3 279.300 0.350 20 5 CCBDHN CCN1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000171874160 350939973 /nfs/dbraw/zinc/93/99/73/350939973.db2.gz ULAYIDUWWLGDTQ-LLVKDONJSA-N 0 3 295.343 0.782 20 5 CCBDHN CC(=O)NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174834879 351107058 /nfs/dbraw/zinc/10/70/58/351107058.db2.gz LEJIXALXUBZCKU-GFCCVEGCSA-N 0 3 295.343 0.639 20 5 CCBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCNCC2)c1 ZINC000178900484 351252661 /nfs/dbraw/zinc/25/26/61/351252661.db2.gz JQJRXHAUEUPYFU-UHFFFAOYSA-N 0 3 299.352 0.720 20 5 CCBDHN CN(CCN(C)C1CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000186801170 351515465 /nfs/dbraw/zinc/51/54/65/351515465.db2.gz QOFSMWKZTLYUNU-UHFFFAOYSA-N 0 3 295.343 0.734 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)C1CCC1 ZINC000228523756 352075411 /nfs/dbraw/zinc/07/54/11/352075411.db2.gz DVOFLOTWLXSLMP-UHFFFAOYSA-N 0 3 268.317 0.947 20 5 CCBDHN CC(C)(N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236794043 352214846 /nfs/dbraw/zinc/21/48/46/352214846.db2.gz CLCBVFMNEBJRTM-UHFFFAOYSA-N 0 3 251.286 0.991 20 5 CCBDHN C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC000266244017 352692677 /nfs/dbraw/zinc/69/26/77/352692677.db2.gz LTGLDYZRTYTTEX-BDAKNGLRSA-N 0 3 280.332 0.886 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[C@H]1O ZINC000270027645 352897743 /nfs/dbraw/zinc/89/77/43/352897743.db2.gz BLLDEIBLQSLAMP-CMPLNLGQSA-N 0 3 268.317 0.884 20 5 CCBDHN CN1CCN(CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000271028678 353016249 /nfs/dbraw/zinc/01/62/49/353016249.db2.gz KLYZZOYVPDZXCW-UHFFFAOYSA-N 0 3 267.333 0.817 20 5 CCBDHN CN1CC[C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000272679417 353085270 /nfs/dbraw/zinc/08/52/70/353085270.db2.gz VGADJGOEQMBXGU-WDEREUQCSA-N 0 3 293.327 0.344 20 5 CCBDHN COCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157297894 188308944 /nfs/dbraw/zinc/30/89/44/188308944.db2.gz MZGQIRJDXAOGMY-UHFFFAOYSA-N 0 3 296.327 0.485 20 5 CCBDHN COC(=O)[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000280860026 353387825 /nfs/dbraw/zinc/38/78/25/353387825.db2.gz YRMOAQQDSGXPHA-MWLCHTKSSA-N 0 3 282.300 0.532 20 5 CCBDHN CN(CCC(N)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286662356 353602654 /nfs/dbraw/zinc/60/26/54/353602654.db2.gz ZZXNUXOAORZYSA-NSHDSACASA-N 0 3 267.285 0.435 20 5 CCBDHN O=[N+]([O-])c1cccc(OCCN2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287469152 353648216 /nfs/dbraw/zinc/64/82/16/353648216.db2.gz RQCUCNRLGIDWCC-CHWSQXEVSA-N 0 3 296.323 0.791 20 5 CCBDHN Nc1nc(N[C@H](CO)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000295716353 353914583 /nfs/dbraw/zinc/91/45/83/353914583.db2.gz SRXKPZOOZKHIFA-VIFPVBQESA-N 0 3 296.331 0.226 20 5 CCBDHN CN(C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000298791450 353970196 /nfs/dbraw/zinc/97/01/96/353970196.db2.gz MDNATZOCGLFUDV-UHFFFAOYSA-N 0 3 288.329 0.216 20 5 CCBDHN CC(C)(O)[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000305700752 354152098 /nfs/dbraw/zinc/15/20/98/354152098.db2.gz CVLAQAZPUGGPOO-LBPRGKRZSA-N 0 3 295.339 0.992 20 5 CCBDHN COCCN(C)C[C@@H](O)Cn1c(C)c([N+](=O)[O-])ccc1=O ZINC000314489799 354222655 /nfs/dbraw/zinc/22/26/55/354222655.db2.gz KKRZVTOJJDNLDG-LLVKDONJSA-N 0 3 299.327 0.004 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423615066 235020116 /nfs/dbraw/zinc/02/01/16/235020116.db2.gz QXOFXEFQKPTKNU-NKWVEPMBSA-N 0 3 253.262 0.140 20 5 CCBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000339165917 355497889 /nfs/dbraw/zinc/49/78/89/355497889.db2.gz PNFADTLWPJFHIV-UHFFFAOYSA-N 0 3 270.289 0.231 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCN1C ZINC000345332487 355800657 /nfs/dbraw/zinc/80/06/57/355800657.db2.gz YHFYZECTGORGPY-YUMQZZPRSA-N 0 3 267.289 0.530 20 5 CCBDHN COCCC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000345536328 355845728 /nfs/dbraw/zinc/84/57/28/355845728.db2.gz IKETYYPJYVJNOK-LBPRGKRZSA-N 0 3 298.343 0.511 20 5 CCBDHN CN(CCCN1CCN(C)CC1)c1ncc([N+](=O)[O-])cn1 ZINC000273664323 192253419 /nfs/dbraw/zinc/25/34/19/192253419.db2.gz WPOJQOUSCABQBC-UHFFFAOYSA-N 0 3 294.359 0.459 20 5 CCBDHN O=[N+]([O-])c1ccccc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405503158 357827151 /nfs/dbraw/zinc/82/71/51/357827151.db2.gz RJBNDHPJJFZIIH-QWHCGFSZSA-N 0 3 277.324 0.846 20 5 CCBDHN C[C@@H]1C[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CCN1C ZINC000408055280 357892301 /nfs/dbraw/zinc/89/23/01/357892301.db2.gz SHZYFPMKPCTJCE-NXEZZACHSA-N 0 3 295.343 0.883 20 5 CCBDHN CN(C)CC(C)(C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455041182 236320637 /nfs/dbraw/zinc/32/06/37/236320637.db2.gz WWJXKZUFSUNMEK-UHFFFAOYSA-N 0 3 281.316 0.873 20 5 CCBDHN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570342270 358848926 /nfs/dbraw/zinc/84/89/26/358848926.db2.gz GPLUDYSTRZNEOE-UHFFFAOYSA-N 0 3 291.271 0.003 20 5 CCBDHN Cc1cccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000579853628 359055823 /nfs/dbraw/zinc/05/58/23/359055823.db2.gz WXGKKVUVZVNHIK-QWRGUYRKSA-N 0 3 290.323 0.651 20 5 CCBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])cn1C)C1CC1 ZINC000583456228 359154112 /nfs/dbraw/zinc/15/41/12/359154112.db2.gz DZDWAWNXWDHVQQ-UHFFFAOYSA-N 0 3 266.301 0.757 20 5 CCBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC000562981549 291177795 /nfs/dbraw/zinc/17/77/95/291177795.db2.gz STPVLTCWWUVXKA-SNVBAGLBSA-N 0 3 295.295 0.078 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CN(C)C ZINC000590549622 359482453 /nfs/dbraw/zinc/48/24/53/359482453.db2.gz LYQWBUBXTYBUFJ-SNVBAGLBSA-N 0 3 281.312 0.556 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN[C@@H](C(C)C)C2)n1 ZINC000592246882 359805351 /nfs/dbraw/zinc/80/53/51/359805351.db2.gz OTBHXVKBWIKZJU-SNVBAGLBSA-N 0 3 295.343 0.881 20 5 CCBDHN CC[C@@H](CN1CCCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000611334946 363708277 /nfs/dbraw/zinc/70/82/77/363708277.db2.gz KLJPDKPXBUOFHY-JTQLQIEISA-N 0 3 295.343 0.933 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCCC[C@H]1CO ZINC000594017153 360235596 /nfs/dbraw/zinc/23/55/96/360235596.db2.gz SHCLEAKBLCLOJB-ZDUSSCGKSA-N 0 3 295.339 0.993 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594363750 360282773 /nfs/dbraw/zinc/28/27/73/360282773.db2.gz JVSLVNZBGHIKTA-WPRPVWTQSA-N 0 3 291.311 0.178 20 5 CCBDHN COC(=O)c1cccc(OC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC000594696855 360361495 /nfs/dbraw/zinc/36/14/95/360361495.db2.gz RWFJACRGAWYPCT-VIFPVBQESA-N 0 3 296.279 0.749 20 5 CCBDHN CN[C@@H](C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000563410143 291225670 /nfs/dbraw/zinc/22/56/70/291225670.db2.gz DIRQTLLOSLSPEV-VIFPVBQESA-N 0 3 281.316 0.563 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC3(COC3)C2)n1 ZINC000595833423 360671357 /nfs/dbraw/zinc/67/13/57/360671357.db2.gz IQACVXRPZALIOL-UHFFFAOYSA-N 0 3 252.274 0.514 20 5 CCBDHN O=c1[nH]ccc(NC[C@@H]2CN3CCN2CC3)c1[N+](=O)[O-] ZINC000596170295 360821281 /nfs/dbraw/zinc/82/12/81/360821281.db2.gz QIIDABCOKDUJSK-SECBINFHSA-N 0 3 279.300 0.107 20 5 CCBDHN CCc1n[nH]c(C(=O)N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000598162530 361346070 /nfs/dbraw/zinc/34/60/70/361346070.db2.gz JFVZARUVBNRFAU-UHFFFAOYSA-N 0 3 281.316 0.514 20 5 CCBDHN CCc1[nH]nc(C(=O)N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000598162530 361346074 /nfs/dbraw/zinc/34/60/74/361346074.db2.gz JFVZARUVBNRFAU-UHFFFAOYSA-N 0 3 281.316 0.514 20 5 CCBDHN COC(=O)c1ccnc(NCCN(C)C)c1[N+](=O)[O-] ZINC000598584434 361449193 /nfs/dbraw/zinc/44/91/93/361449193.db2.gz LYSAEIOVBLSETJ-UHFFFAOYSA-N 0 3 268.273 0.750 20 5 CCBDHN Cc1ccc(S(=O)(=O)N(C)C2CNC2)c(C)c1[N+](=O)[O-] ZINC000598714221 361493407 /nfs/dbraw/zinc/49/34/07/361493407.db2.gz GWOXIEDSMDVNRM-UHFFFAOYSA-N 0 3 299.352 0.804 20 5 CCBDHN CN(C)CC(C)(C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000598740344 361505393 /nfs/dbraw/zinc/50/53/93/361505393.db2.gz QXXVLXVGXTWJBY-UHFFFAOYSA-N 0 3 269.305 0.398 20 5 CCBDHN CN(CCc1cccc([N+](=O)[O-])c1)c1nc(N)nc(N)n1 ZINC000599074917 361566032 /nfs/dbraw/zinc/56/60/32/361566032.db2.gz YELGVFWZIBXHNI-UHFFFAOYSA-N 0 3 289.299 0.284 20 5 CCBDHN COC(=O)N(C)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000496617453 240251427 /nfs/dbraw/zinc/25/14/27/240251427.db2.gz MIDVXNBUAPEBCP-QMMMGPOBSA-N 0 3 262.262 0.673 20 5 CCBDHN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1O ZINC000275482977 193054913 /nfs/dbraw/zinc/05/49/13/193054913.db2.gz OKNPEXSEZXUUSA-JTQLQIEISA-N 0 3 268.317 0.884 20 5 CCBDHN CN1CC=C(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330647244 203075524 /nfs/dbraw/zinc/07/55/24/203075524.db2.gz FVRDGEFNMWZISR-UHFFFAOYSA-N 0 3 264.285 0.915 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](CO)C1 ZINC000181904371 285164618 /nfs/dbraw/zinc/16/46/18/285164618.db2.gz ICKQLJGFLFHOAS-RYUDHWBXSA-N 0 3 296.323 0.649 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@H]([NH3+])C2)c1C ZINC000479767721 285256132 /nfs/dbraw/zinc/25/61/32/285256132.db2.gz ORLGAZWBINHXCM-MGCOHNPYSA-N 0 3 299.352 0.980 20 5 CCBDHN O=[N+]([O-])c1cccc(CNCCCn2cc(CO)nn2)c1 ZINC000289805092 388894396 /nfs/dbraw/zinc/89/43/96/388894396.db2.gz LEGILDRLNZNWPC-UHFFFAOYSA-N 0 3 291.311 0.859 20 5 CCBDHN Cc1nc(N2CCCN(C)CC2)ncc1[N+](=O)[O-] ZINC000296237980 389009564 /nfs/dbraw/zinc/00/95/64/389009564.db2.gz FEOGCDNMILKONA-UHFFFAOYSA-N 0 3 251.290 0.835 20 5 CCBDHN CN(C)C1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000302149785 389064060 /nfs/dbraw/zinc/06/40/60/389064060.db2.gz SXHQNOKFTLUDJT-UHFFFAOYSA-N 0 3 289.295 0.994 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](O)C1 ZINC000194361686 389094139 /nfs/dbraw/zinc/09/41/39/389094139.db2.gz UAUXINYYTHSENH-NWDGAFQWSA-N 0 3 296.323 0.791 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCN1C ZINC000195314553 389123041 /nfs/dbraw/zinc/12/30/41/389123041.db2.gz XOETTXCOLMHVMV-JTQLQIEISA-N 0 3 281.316 0.310 20 5 CCBDHN CCN(CCNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000263696851 389301399 /nfs/dbraw/zinc/30/13/99/389301399.db2.gz HXBDRQUTDVVDRK-UHFFFAOYSA-N 0 3 295.343 0.782 20 5 CCBDHN CN(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000413312666 389494596 /nfs/dbraw/zinc/49/45/96/389494596.db2.gz QFODSYYHBATMQS-UWVGGRQHSA-N 0 3 270.264 0.240 20 5 CCBDHN Cc1n[nH]c(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000429407813 389754509 /nfs/dbraw/zinc/75/45/09/389754509.db2.gz KKKWRWNNZHTFDT-BQBZGAKWSA-N 0 3 267.289 0.449 20 5 CCBDHN Cc1[nH]nc(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000429407813 389754513 /nfs/dbraw/zinc/75/45/13/389754513.db2.gz KKKWRWNNZHTFDT-BQBZGAKWSA-N 0 3 267.289 0.449 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@](O)(C3CC3)C2)c1 ZINC000377104455 389744220 /nfs/dbraw/zinc/74/42/20/389744220.db2.gz QZTFOOIJNVHXEO-LBPRGKRZSA-N 0 3 266.301 0.638 20 5 CCBDHN CNCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420414009 389998775 /nfs/dbraw/zinc/99/87/75/389998775.db2.gz GFEKZKWVBCGRCM-UHFFFAOYSA-N 0 3 287.341 0.276 20 5 CCBDHN CC[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000439480390 390021791 /nfs/dbraw/zinc/02/17/91/390021791.db2.gz CVRKDFCZSCIDKW-STQMWFEESA-N 0 3 298.343 0.653 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]CC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000440339691 390035088 /nfs/dbraw/zinc/03/50/88/390035088.db2.gz MIPIBSRNYLNNGU-SECBINFHSA-N 0 3 287.341 0.919 20 5 CCBDHN C[C@@H]1[C@@H](CO)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000488758910 390095940 /nfs/dbraw/zinc/09/59/40/390095940.db2.gz BZNSLWIPVSPJRJ-GHMZBOCLSA-N 0 3 281.312 0.459 20 5 CCBDHN C[C@@H]1CCN(CCNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000535757577 390151647 /nfs/dbraw/zinc/15/16/47/390151647.db2.gz NTRCFZHKPLRZSN-SECBINFHSA-N 0 3 281.316 0.400 20 5 CCBDHN CCOC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000496004249 390281667 /nfs/dbraw/zinc/28/16/67/390281667.db2.gz WNRIWBHQINQEIS-BDAKNGLRSA-N 0 3 276.289 0.966 20 5 CCBDHN C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCCC1 ZINC000554838049 390443066 /nfs/dbraw/zinc/44/30/66/390443066.db2.gz YYUIDMWDAZDPDQ-MRVPVSSYSA-N 0 3 267.289 0.532 20 5 CCBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000514679077 390468543 /nfs/dbraw/zinc/46/85/43/390468543.db2.gz WPXCTNARUINAJW-RYUDHWBXSA-N 0 3 290.323 0.651 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC(=O)N(C)C1 ZINC000565608691 390529410 /nfs/dbraw/zinc/52/94/10/390529410.db2.gz XTTKOUITOKPSIY-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN COCCN(C)CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000571623135 390744821 /nfs/dbraw/zinc/74/48/21/390744821.db2.gz KNYZHZLRLVGOPD-UHFFFAOYSA-N 0 3 285.304 0.016 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@@H]1CN ZINC000572961779 390813475 /nfs/dbraw/zinc/81/34/75/390813475.db2.gz ZVMXISMEYVFNFL-NSHDSACASA-N 0 3 293.327 0.013 20 5 CCBDHN C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CCN1C ZINC000266244023 131706545 /nfs/dbraw/zinc/70/65/45/131706545.db2.gz LTGLDYZRTYTTEX-IUCAKERBSA-N 0 3 280.332 0.886 20 5 CCBDHN CN1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000269153550 132122157 /nfs/dbraw/zinc/12/21/57/132122157.db2.gz PMCZRGWNTFVUMD-UHFFFAOYSA-N 0 3 296.331 0.138 20 5 CCBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368640061 144236999 /nfs/dbraw/zinc/23/69/99/144236999.db2.gz ZZSXMCAFWVXNNS-DGAVXFQQSA-N 0 3 278.308 0.798 20 5 CCBDHN CN(C)[C@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548059455 286001333 /nfs/dbraw/zinc/00/13/33/286001333.db2.gz YSUPGNPYJQIQQL-VIFPVBQESA-N 0 3 293.327 0.569 20 5 CCBDHN C[C@@H]1C[C@@H](C)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000548096357 286005015 /nfs/dbraw/zinc/00/50/15/286005015.db2.gz MQERFXTZIGTJHM-FXPVBKGRSA-N 0 3 254.290 0.635 20 5 CCBDHN CN(C)[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000552156207 286156221 /nfs/dbraw/zinc/15/62/21/286156221.db2.gz XFHUEVBCXIYWHG-STQMWFEESA-N 0 3 293.323 0.271 20 5 CCBDHN Cc1ccc(NC(=O)CN2CCNCC2)cc1[N+](=O)[O-] ZINC000020362627 171161339 /nfs/dbraw/zinc/16/13/39/171161339.db2.gz QRFPUPTYUFZDQD-UHFFFAOYSA-N 0 3 278.312 0.747 20 5 CCBDHN CNC(=O)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000044994649 175286651 /nfs/dbraw/zinc/28/66/51/175286651.db2.gz QARDAQNBMXUERV-UHFFFAOYSA-N 0 3 267.285 0.829 20 5 CCBDHN C[C@H]1NCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000417908430 227146797 /nfs/dbraw/zinc/14/67/97/227146797.db2.gz IKCUUUHPMWWBNZ-ZJUUUORDSA-N 0 3 296.331 0.183 20 5 CCBDHN CN(C)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000274036718 273798608 /nfs/dbraw/zinc/79/86/08/273798608.db2.gz XIXOAELGKZHMDT-VIFPVBQESA-N 0 3 251.290 0.915 20 5 CCBDHN CN(c1nc2sccn2c1[N+](=O)[O-])C1CNC1 ZINC000090290642 277004098 /nfs/dbraw/zinc/00/40/98/277004098.db2.gz LUXBKCZLCGYAOW-UHFFFAOYSA-N 0 3 253.287 0.712 20 5 CCBDHN CN1C[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000357685510 277199851 /nfs/dbraw/zinc/19/98/51/277199851.db2.gz BLEKFMDRRJFKIS-DTORHVGOSA-N 0 3 291.311 0.087 20 5 CCBDHN CC(C)c1n[nH]c(C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000269715338 278001932 /nfs/dbraw/zinc/00/19/32/278001932.db2.gz RXIPPCKGEHIOHN-UHFFFAOYSA-N 0 3 269.305 0.733 20 5 CCBDHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000387367368 336193161 /nfs/dbraw/zinc/19/31/61/336193161.db2.gz YMRXDKXBFBBVGI-NSHDSACASA-N 0 3 299.327 0.004 20 5 CCBDHN CN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000061524121 523898887 /nfs/dbraw/zinc/89/88/87/523898887.db2.gz KIGGVMLSTQSQJN-UHFFFAOYSA-N 0 3 296.327 0.555 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000358063092 536480934 /nfs/dbraw/zinc/48/09/34/536480934.db2.gz YKMHMYCOEGTPDU-ZDUSSCGKSA-N 0 3 297.286 0.530 20 5 CCBDHN CC1(C)[C@@H](O)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000361422265 527833704 /nfs/dbraw/zinc/83/37/04/527833704.db2.gz ZGJFCLFQRBYJRY-VIFPVBQESA-N 0 3 254.290 0.637 20 5 CCBDHN CN(Cn1nccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000732188127 581808350 /nfs/dbraw/zinc/80/83/50/581808350.db2.gz GMEGWEDRJCELEI-NSHDSACASA-N 0 3 265.317 0.917 20 5 CCBDHN CNC(=O)CCN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582081 582080402 /nfs/dbraw/zinc/08/04/02/582080402.db2.gz PRHQNBWGZGHSFE-GFCCVEGCSA-N 0 3 281.312 0.696 20 5 CCBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@H](CO)C2)cc1 ZINC000776584036 582081202 /nfs/dbraw/zinc/08/12/02/582081202.db2.gz JBPRJLSDGTUQSR-GWCFXTLKSA-N 0 3 266.297 0.942 20 5 CCBDHN COc1ccc([C@@H]2CN(CC[N+](=O)[O-])CCN2)cc1 ZINC000931546509 617280170 /nfs/dbraw/zinc/28/01/70/617280170.db2.gz HXPMRLZWELFGFQ-ZDUSSCGKSA-N 0 3 265.313 0.918 20 5 CCBDHN CC(=O)N1CC[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813111603 613513575 /nfs/dbraw/zinc/51/35/75/613513575.db2.gz VMVHHMWTPTVXNN-LDYMZIIASA-N 0 3 258.274 0.453 20 5 CCBDHN CC(=O)N[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111161 613968410 /nfs/dbraw/zinc/96/84/10/613968410.db2.gz PHMVYQUAZDDOMP-SCZZXKLOSA-N 0 3 260.290 0.746 20 5 CCBDHN CC[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040835658 615522551 /nfs/dbraw/zinc/52/25/51/615522551.db2.gz SOPKAEHPHNQWOV-CYBMUJFWSA-N 0 3 292.339 0.981 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN(C)CCO ZINC000884825498 615919885 /nfs/dbraw/zinc/91/98/85/615919885.db2.gz ZSCUBHZURZANDX-UHFFFAOYSA-N 0 3 271.321 0.456 20 5 CCBDHN CN(C)C[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000876571175 615941052 /nfs/dbraw/zinc/94/10/52/615941052.db2.gz HICVPKDRFDJURQ-NSHDSACASA-N 0 3 278.312 0.373 20 5 CCBDHN CN(CCO)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000884824404 616108841 /nfs/dbraw/zinc/10/88/41/616108841.db2.gz YGRHTWCMGCOPAF-UHFFFAOYSA-N 0 3 285.329 0.640 20 5 CCBDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CC[N+](=O)[O-])C1 ZINC000929354898 616494290 /nfs/dbraw/zinc/49/42/90/616494290.db2.gz LNWWUNPRVUYCCC-GHMZBOCLSA-N 0 3 273.333 0.126 20 5 CCBDHN CN1Cc2ccccc2[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839714942 616515691 /nfs/dbraw/zinc/51/56/91/616515691.db2.gz KONOERJBNMGPQC-FRRDWIJNSA-N 0 3 275.308 0.955 20 5 CCBDHN COC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])n1C ZINC000816091753 616887802 /nfs/dbraw/zinc/88/78/02/616887802.db2.gz HMWGOSZKDXHWAG-ZETCQYMHSA-N 0 3 270.241 0.634 20 5 CCBDHN COC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])n1C ZINC000816091752 616888004 /nfs/dbraw/zinc/88/80/04/616888004.db2.gz HMWGOSZKDXHWAG-SSDOTTSWSA-N 0 3 270.241 0.634 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000928443944 631850359 /nfs/dbraw/zinc/85/03/59/631850359.db2.gz WQWARWOVMIWONL-WPRPVWTQSA-N 0 3 264.285 0.812 20 5 CCBDHN C[C@@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000807271535 640821751 /nfs/dbraw/zinc/82/17/51/640821751.db2.gz DDKRCXGVEJGWOR-MRVPVSSYSA-N 0 3 267.289 0.532 20 5 CCBDHN CC(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N+](=O)[O-] ZINC000813108842 641023227 /nfs/dbraw/zinc/02/32/27/641023227.db2.gz MBDFICUOFJOSJT-OPRDCNLKSA-N 0 3 298.295 0.370 20 5 CCBDHN CC(COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N+](=O)[O-] ZINC000813107770 641023373 /nfs/dbraw/zinc/02/33/73/641023373.db2.gz WAMRCSUZEKLCLV-SSDOTTSWSA-N 0 3 286.244 0.735 20 5 CCBDHN CC(COC(=O)CCS(=O)(=O)C1CCCC1)[N+](=O)[O-] ZINC000813107389 641023715 /nfs/dbraw/zinc/02/37/15/641023715.db2.gz MVAOTCKDRIEBHA-SECBINFHSA-N 0 3 293.341 0.942 20 5 CCBDHN CC(COC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)[N+](=O)[O-] ZINC000816091732 641140526 /nfs/dbraw/zinc/14/05/26/641140526.db2.gz GTVQOYLFGDLVTD-NKWVEPMBSA-N 0 3 298.217 0.748 20 5 CCBDHN CC(COC(=O)[C@]1(c2ccccc2)CNC(=O)C1)[N+](=O)[O-] ZINC000847714837 643549077 /nfs/dbraw/zinc/54/90/77/643549077.db2.gz ZFYQOUVBKPDDPW-HZMBPMFUSA-N 0 3 292.291 0.653 20 5 CCBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](CO)CN(C)C ZINC000854467134 644207646 /nfs/dbraw/zinc/20/76/46/644207646.db2.gz BVSCNMBVEHHDMP-VIFPVBQESA-N 0 3 299.302 0.695 20 5 CCBDHN O=C(N[C@H]1C[C@H](NCc2ccon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138839 651042969 /nfs/dbraw/zinc/04/29/69/651042969.db2.gz DDMPQSYAMOAMHU-GWOFURMSSA-N 0 3 280.284 0.077 20 5 CCBDHN CCC[C@H]1CN(CC[N+](=O)[O-])CCN1CCOC ZINC000930148454 648831157 /nfs/dbraw/zinc/83/11/57/648831157.db2.gz QYZKPRRZNAEJMF-LBPRGKRZSA-N 0 3 259.350 0.696 20 5 CCBDHN COc1ncc([N+](=O)[O-])cc1-n1nc(CN)cc1C ZINC001163985254 802645719 /nfs/dbraw/zinc/64/57/19/802645719.db2.gz KYMOBPLNASTKHP-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN COC(=O)c1ccnc(N2CC(C)(N(C)C)C2)c1[N+](=O)[O-] ZINC001165118162 802785290 /nfs/dbraw/zinc/78/52/90/802785290.db2.gz PMKNSJBZKQRCOR-UHFFFAOYSA-N 0 3 294.311 0.917 20 5 CCBDHN O=C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC001254600857 808265802 /nfs/dbraw/zinc/26/58/02/808265802.db2.gz WGIUGZBOKADSHW-ZDUSSCGKSA-N 0 3 275.308 0.884 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN([C@@H]3CCOC3)CC2)C1 ZINC001169005929 836096086 /nfs/dbraw/zinc/09/60/86/836096086.db2.gz DJCBZLRYSRHQPD-HZSPNIEDSA-N 0 3 283.372 0.838 20 5 CCBDHN COC(=O)CC1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037735 836111914 /nfs/dbraw/zinc/11/19/14/836111914.db2.gz TXQUYTCRQHYNKD-KOLCDFICSA-N 0 3 256.302 0.927 20 5 CCBDHN COc1nc(-n2ccc([C@H](C)N)n2)nc(C)c1[N+](=O)[O-] ZINC001169228128 836163572 /nfs/dbraw/zinc/16/35/72/836163572.db2.gz MXYCXWUAHKEWRA-LURJTMIESA-N 0 3 278.272 0.907 20 5 CCBDHN COc1nc(C)nc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001169228689 836163762 /nfs/dbraw/zinc/16/37/62/836163762.db2.gz RBIMUOBURINQCP-ZCFIWIBFSA-N 0 3 278.272 0.907 20 5 CCBDHN Cc1c(F)cnc(-n2nncc2CN)c1[N+](=O)[O-] ZINC001169308901 836208855 /nfs/dbraw/zinc/20/88/55/836208855.db2.gz VJFNXFPKTNNRAH-UHFFFAOYSA-N 0 3 252.209 0.477 20 5 CCBDHN COc1ccc([N+](=O)[O-])nc1N[C@@H](C)[C@H]1CNCCO1 ZINC001170567438 838123167 /nfs/dbraw/zinc/12/31/67/838123167.db2.gz JUSREZQQRRQNDD-WCBMZHEXSA-N 0 3 282.300 0.787 20 5 CCBDHN C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170566870 838128491 /nfs/dbraw/zinc/12/84/91/838128491.db2.gz HXWRHOHWBZGQTB-SCZZXKLOSA-N 0 3 252.274 0.779 20 5 CCBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001176533778 842381979 /nfs/dbraw/zinc/38/19/79/842381979.db2.gz MLXJLBUFXSHFBA-GXSJLCMTSA-N 0 3 294.311 0.204 20 5 CCBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1csc([N+](=O)[O-])c1 ZINC001342214181 892719486 /nfs/dbraw/zinc/71/94/86/892719486.db2.gz BVCKQQBBNKXSRW-QMMMGPOBSA-N 0 3 283.309 0.517 20 5 CCBDHN CN1CCN(C)CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001337993162 921331564 /nfs/dbraw/zinc/33/15/64/921331564.db2.gz DNNWGTWMUKNPHJ-UHFFFAOYSA-N 0 3 294.359 0.256 20 5 CCBDHN C[C@H](NC(=O)[C@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC001339922617 921880550 /nfs/dbraw/zinc/88/05/50/921880550.db2.gz JQXHYFLLNOMBMK-GXFFZTMASA-N 0 3 292.339 0.676 20 5 CCBDHN Cc1c(CC(=O)[N-]OC[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC001340590532 922132886 /nfs/dbraw/zinc/13/28/86/922132886.db2.gz WZCNYDVPKXYAQS-QMMMGPOBSA-N 0 3 267.285 0.841 20 5 CCBDHN Cc1nc(N2CC[C@@H]3CN(C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001352021207 925510276 /nfs/dbraw/zinc/51/02/76/925510276.db2.gz AGIKMTFMMBAGNG-KOLCDFICSA-N 0 3 263.301 0.834 20 5 CCBDHN CN1CCNC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001357274759 926506540 /nfs/dbraw/zinc/50/65/40/926506540.db2.gz XEHJFDBXZOWXSJ-ZDUSSCGKSA-N 0 3 290.323 0.388 20 5 CCBDHN C[C@H]1CCN(CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001444713232 929938835 /nfs/dbraw/zinc/93/88/35/929938835.db2.gz CXQMWKRIYBXKNI-VIFPVBQESA-N 0 3 293.327 0.644 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](CCO)C1 ZINC000090526471 349438614 /nfs/dbraw/zinc/43/86/14/349438614.db2.gz GWFMJWSJLUHBNS-LBPRGKRZSA-N 0 3 295.339 0.851 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)CC1CC1 ZINC000090519377 349439202 /nfs/dbraw/zinc/43/92/02/349439202.db2.gz DWKJYWOETRNTRH-UHFFFAOYSA-N 0 3 281.312 0.461 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)[NH3+])cc1C ZINC000104212583 349712019 /nfs/dbraw/zinc/71/20/19/349712019.db2.gz NCMCPRVYWKTDBS-SECBINFHSA-N 0 3 287.341 0.837 20 5 CCBDHN COCCN(C)CCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347018441 536795277 /nfs/dbraw/zinc/79/52/77/536795277.db2.gz UJQPKVDMPTXHGP-UHFFFAOYSA-N 0 3 299.331 0.026 20 5 CCBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1COCCN1 ZINC000600678161 362031370 /nfs/dbraw/zinc/03/13/70/362031370.db2.gz MNQACRRGLHRUJE-LLVKDONJSA-N 0 3 251.286 0.673 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](O)C2)c1 ZINC000113503492 349813399 /nfs/dbraw/zinc/81/33/99/349813399.db2.gz KDMMQNUZPOQUKW-RYUDHWBXSA-N 0 3 282.296 0.401 20 5 CCBDHN O=[N+]([O-])c1cnc(N[C@H]2CCCN(CCCO)C2)nc1 ZINC000295029972 199309261 /nfs/dbraw/zinc/30/92/61/199309261.db2.gz VNAOXBUDQKBHSY-JTQLQIEISA-N 0 3 281.316 0.644 20 5 CCBDHN Cn1cc(CN2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602698585 362757046 /nfs/dbraw/zinc/75/70/46/362757046.db2.gz CYMQAEPHFBJTEJ-KOLCDFICSA-N 0 3 266.301 0.939 20 5 CCBDHN CNC(=O)CCCN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602803089 362808695 /nfs/dbraw/zinc/80/86/95/362808695.db2.gz ZNFOFEGBFDUMRQ-UHFFFAOYSA-N 0 3 283.332 0.558 20 5 CCBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)CN1 ZINC000086467738 179297985 /nfs/dbraw/zinc/29/79/85/179297985.db2.gz QYDIBSDCGHVMQE-HTQZYQBOSA-N 0 3 252.274 0.745 20 5 CCBDHN CN1CC=C(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000343249094 137122948 /nfs/dbraw/zinc/12/29/48/137122948.db2.gz CUTKMZFHJXMQOX-UHFFFAOYSA-N 0 3 264.285 0.915 20 5 CCBDHN COC(=O)CC1(NCCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602868116 362851076 /nfs/dbraw/zinc/85/10/76/362851076.db2.gz YSWSPZIOAYASTG-UHFFFAOYSA-N 0 3 282.300 0.785 20 5 CCBDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000345896579 137258521 /nfs/dbraw/zinc/25/85/21/137258521.db2.gz AEEHSUKVVVEXCU-SNVBAGLBSA-N 0 3 293.327 0.970 20 5 CCBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000346693779 137299975 /nfs/dbraw/zinc/29/99/75/137299975.db2.gz PQHXPUGGOFVLAJ-MWLCHTKSSA-N 0 3 282.300 0.675 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](CO)C1 ZINC000602931777 362894314 /nfs/dbraw/zinc/89/43/14/362894314.db2.gz REHISJMCCXXZPA-MNOVXSKESA-N 0 3 268.317 0.884 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCN2[C@@H](CO)CC[C@H]2CO)cc1 ZINC000347346234 137332607 /nfs/dbraw/zinc/33/26/07/137332607.db2.gz SZLQQSBFIPZWOA-BETUJISGSA-N 0 3 296.323 0.791 20 5 CCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(C2CC2)C1 ZINC000057555069 348611741 /nfs/dbraw/zinc/61/17/41/348611741.db2.gz QZVXCIFGCXYAGE-JTQLQIEISA-N 0 3 293.327 0.534 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000066143616 348734874 /nfs/dbraw/zinc/73/48/74/348734874.db2.gz WZRLFDLYKITQHA-SNVBAGLBSA-N 0 3 293.327 0.937 20 5 CCBDHN CCN1CCN(CCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076268000 349076087 /nfs/dbraw/zinc/07/60/87/349076087.db2.gz QPVHOFCWAYLQQY-UHFFFAOYSA-N 0 3 295.347 0.016 20 5 CCBDHN CN(C)CCN(C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000080684861 349226043 /nfs/dbraw/zinc/22/60/43/349226043.db2.gz FKFXEMCRCWARPJ-UHFFFAOYSA-N 0 3 266.301 0.692 20 5 CCBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](CN)C1 ZINC000122644203 350067964 /nfs/dbraw/zinc/06/79/64/350067964.db2.gz LTDIEEYONFVPSR-MRVPVSSYSA-N 0 3 284.341 0.371 20 5 CCBDHN C[C@@]1(O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551681 180002485 /nfs/dbraw/zinc/00/24/85/180002485.db2.gz ACLDBQRVGGKOQQ-GFCCVEGCSA-N 0 3 267.285 0.213 20 5 CCBDHN CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000124351551 350096775 /nfs/dbraw/zinc/09/67/75/350096775.db2.gz AEHDUZHDRKTFRR-LBPRGKRZSA-N 0 3 293.327 0.701 20 5 CCBDHN COc1cc(OCC(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000131051111 350259406 /nfs/dbraw/zinc/25/94/06/350259406.db2.gz SBTKMLJNMJVNQO-UHFFFAOYSA-N 0 3 297.311 0.660 20 5 CCBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@]1(F)CCNC1 ZINC000152758183 350540605 /nfs/dbraw/zinc/54/06/05/350540605.db2.gz CXVJXSUOLSRKFM-CYBMUJFWSA-N 0 3 281.287 0.955 20 5 CCBDHN COc1ccc(NC(=O)COC2(C)CNC2)cc1[N+](=O)[O-] ZINC000161243063 350717016 /nfs/dbraw/zinc/71/70/16/350717016.db2.gz QMKIKYJXYMHBIZ-UHFFFAOYSA-N 0 3 295.295 0.920 20 5 CCBDHN CCc1n[nH]c(C(=O)N2CC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000171809142 350935928 /nfs/dbraw/zinc/93/59/28/350935928.db2.gz ACXSKMYDMBCTNZ-QMMMGPOBSA-N 0 3 281.316 0.656 20 5 CCBDHN Cc1nn(C)c(C(=O)NC[C@@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000171103830 350885312 /nfs/dbraw/zinc/88/53/12/350885312.db2.gz KJZKNDIESZASPL-MRVPVSSYSA-N 0 3 295.343 0.849 20 5 CCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN2CCC1CC2 ZINC000188661585 351615542 /nfs/dbraw/zinc/61/55/42/351615542.db2.gz FJHJIJVKWIOYBY-UHFFFAOYSA-N 0 3 279.300 0.098 20 5 CCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CNCCO1 ZINC000228393737 352074151 /nfs/dbraw/zinc/07/41/51/352074151.db2.gz BTDFYDDAWHESJU-LBPRGKRZSA-N 0 3 279.296 0.242 20 5 CCBDHN COCCOC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000234900741 352177875 /nfs/dbraw/zinc/17/78/75/352177875.db2.gz LKUQXLYTXMGBNT-CYBMUJFWSA-N 0 3 284.312 0.708 20 5 CCBDHN O=C(NCCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])o1 ZINC000265544800 352645366 /nfs/dbraw/zinc/64/53/66/352645366.db2.gz XWXQMVIQQDPAHG-UHFFFAOYSA-N 0 3 297.311 0.764 20 5 CCBDHN CN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CCCN(C)C1 ZINC000265968120 352674900 /nfs/dbraw/zinc/67/49/00/352674900.db2.gz AAUIUWXKHOXROO-QMMMGPOBSA-N 0 3 266.305 0.497 20 5 CCBDHN Cc1cccc(C(=O)NC[C@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000153038247 188060842 /nfs/dbraw/zinc/06/08/42/188060842.db2.gz DZPGLVKXKLEPCS-AWEZNQCLSA-N 0 3 295.339 0.946 20 5 CCBDHN CCN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159724905 188439542 /nfs/dbraw/zinc/43/95/42/188439542.db2.gz XUZCHMPSLCAOBV-UHFFFAOYSA-N 0 3 280.328 0.394 20 5 CCBDHN COCCN(C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290679844 353742160 /nfs/dbraw/zinc/74/21/60/353742160.db2.gz SHNPAOVRBOWZQH-UHFFFAOYSA-N 0 3 297.315 0.079 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC(OCCCO)CC2)c1 ZINC000305034512 354125785 /nfs/dbraw/zinc/12/57/85/354125785.db2.gz SBYRISROPBCHJN-UHFFFAOYSA-N 0 3 298.343 0.655 20 5 CCBDHN CO[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000331267370 354511653 /nfs/dbraw/zinc/51/16/53/354511653.db2.gz JLYGSGUHKIOCRQ-CYZMBNFOSA-N 0 3 298.343 0.652 20 5 CCBDHN CS[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1N(C)C ZINC000332637897 354708493 /nfs/dbraw/zinc/70/84/93/354708493.db2.gz INXOXFDEKZNVSO-KOLCDFICSA-N 0 3 299.400 0.806 20 5 CCBDHN CN(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000332693597 354722798 /nfs/dbraw/zinc/72/27/98/354722798.db2.gz VPVHRILVRFKNTD-MRVPVSSYSA-N 0 3 252.274 0.699 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@@H]1N ZINC000424106097 235154156 /nfs/dbraw/zinc/15/41/56/235154156.db2.gz WVYYFVDWVBDMJW-ZJUUUORDSA-N 0 3 265.269 0.567 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000362073227 138044559 /nfs/dbraw/zinc/04/45/59/138044559.db2.gz VHNOYFBLEQSGLC-VHSXEESVSA-N 0 3 254.290 0.352 20 5 CCBDHN CCN1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000363574806 138091470 /nfs/dbraw/zinc/09/14/70/138091470.db2.gz KHOBDDBAPUCQRE-CYBMUJFWSA-N 0 3 297.359 0.180 20 5 CCBDHN Nc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000368045193 357311595 /nfs/dbraw/zinc/31/15/95/357311595.db2.gz NTRAPLMUOKNEED-IUCAKERBSA-N 0 3 282.275 0.607 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000568647994 358694110 /nfs/dbraw/zinc/69/41/10/358694110.db2.gz ZRWLMPVCXLSHBQ-QWRGUYRKSA-N 0 3 290.323 0.651 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCCN2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000590971088 359543881 /nfs/dbraw/zinc/54/38/81/359543881.db2.gz NBRKMSYLRWUPCV-RISCZKNCSA-N 0 3 296.323 0.649 20 5 CCBDHN CO[C@@H]1COC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000563083361 291189896 /nfs/dbraw/zinc/18/98/96/291189896.db2.gz IJXRYOKVUKRUNY-CHWSQXEVSA-N 0 3 282.296 0.977 20 5 CCBDHN Cc1nn(C)c(C(=O)NC[C@@H]2C[C@H](F)CN2)c1[N+](=O)[O-] ZINC000592338070 359821807 /nfs/dbraw/zinc/82/18/07/359821807.db2.gz NKMMWTRCIQBCRN-YUMQZZPRSA-N 0 3 285.279 0.067 20 5 CCBDHN CN(C)CCN1CCN(c2cccnc2[N+](=O)[O-])CC1=O ZINC000593486036 360096640 /nfs/dbraw/zinc/09/66/40/360096640.db2.gz HQOJVDKGLKISIL-UHFFFAOYSA-N 0 3 293.327 0.200 20 5 CCBDHN CN(C)CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298285372 200382778 /nfs/dbraw/zinc/38/27/78/200382778.db2.gz HETOITTXLBLWCJ-UHFFFAOYSA-N 0 3 253.262 0.062 20 5 CCBDHN C[C@H]1OCC[C@@]1(C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000494270580 291220061 /nfs/dbraw/zinc/22/00/61/291220061.db2.gz IQIIJUUWEUKXCM-ZWNOBZJWSA-N 0 3 281.312 0.914 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])[C@H]2C1 ZINC000594363748 360282526 /nfs/dbraw/zinc/28/25/26/360282526.db2.gz JVSLVNZBGHIKTA-SCZZXKLOSA-N 0 3 291.311 0.178 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(OC[C@@H]2CNCCO2)c1 ZINC000594697998 360362085 /nfs/dbraw/zinc/36/20/85/360362085.db2.gz FZBFRBGGLLDGGQ-JTQLQIEISA-N 0 3 296.279 0.749 20 5 CCBDHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595109334 360437980 /nfs/dbraw/zinc/43/79/80/360437980.db2.gz YZHRQTSWNRKVGB-MRVPVSSYSA-N 0 3 288.329 0.266 20 5 CCBDHN C[C@]12COC[C@H]1CN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595760616 360643574 /nfs/dbraw/zinc/64/35/74/360643574.db2.gz UUUSHYZFRXYMHG-PWSUYJOCSA-N 0 3 266.301 0.760 20 5 CCBDHN COC(=O)C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000179142770 189172556 /nfs/dbraw/zinc/17/25/56/189172556.db2.gz CMVQEFIWGSZEIY-JTQLQIEISA-N 0 3 282.300 0.819 20 5 CCBDHN CCCN1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000596518545 360913412 /nfs/dbraw/zinc/91/34/12/360913412.db2.gz WGUISQWYLFORGU-VIFPVBQESA-N 0 3 293.327 0.985 20 5 CCBDHN C[C@H](C(=O)N[C@H](CO)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597652663 361174917 /nfs/dbraw/zinc/17/49/17/361174917.db2.gz DJGBOYNHEPPWCK-JQWIXIFHSA-N 0 3 295.339 0.737 20 5 CCBDHN CCCN1CC[C@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000598342330 361392372 /nfs/dbraw/zinc/39/23/72/361392372.db2.gz MDJSQUDHFRQTDL-VIFPVBQESA-N 0 3 281.316 0.840 20 5 CCBDHN Nc1cc(NCCN2CC[C@H](O)C2)cc(CO)c1[N+](=O)[O-] ZINC000599199876 361608985 /nfs/dbraw/zinc/60/89/85/361608985.db2.gz VPNBYQWKUDXZTF-NSHDSACASA-N 0 3 296.327 0.148 20 5 CCBDHN Cc1nc(NC[C@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000564631618 291289298 /nfs/dbraw/zinc/28/92/98/291289298.db2.gz FGGXDJNGPMXXJM-SNVBAGLBSA-N 0 3 265.317 0.869 20 5 CCBDHN CC1CCN(C[C@H](O)CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302179240 201385058 /nfs/dbraw/zinc/38/50/58/201385058.db2.gz YOLPSFUXJUOTHQ-GFCCVEGCSA-N 0 3 295.343 0.890 20 5 CCBDHN Cc1n[n-]c(C(=O)NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000275823670 193139231 /nfs/dbraw/zinc/13/92/31/193139231.db2.gz KCWBCUZYNGLSIF-UHFFFAOYSA-N 0 3 297.315 0.078 20 5 CCBDHN Cc1n[n-]c(C(=O)NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000275823670 193139233 /nfs/dbraw/zinc/13/92/33/193139233.db2.gz KCWBCUZYNGLSIF-UHFFFAOYSA-N 0 3 297.315 0.078 20 5 CCBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000518660968 249257437 /nfs/dbraw/zinc/25/74/37/249257437.db2.gz MYOCFTIGSRYJOW-JTQLQIEISA-N 0 3 295.343 0.708 20 5 CCBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1CO ZINC000248973576 285094233 /nfs/dbraw/zinc/09/42/33/285094233.db2.gz TYYWISHEMUQEKW-UWVGGRQHSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@@H](O)CN(CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000289377803 197318893 /nfs/dbraw/zinc/31/88/93/197318893.db2.gz BZSAXMOKTVUMCC-LLVKDONJSA-N 0 3 284.312 0.649 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@H](O)CN2CCCCC2)nc1 ZINC000273662681 285180295 /nfs/dbraw/zinc/18/02/95/285180295.db2.gz WFYQGWGUWNTPSV-NSHDSACASA-N 0 3 281.316 0.644 20 5 CCBDHN CN(CCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281503503 195267825 /nfs/dbraw/zinc/26/78/25/195267825.db2.gz AYFUVPKCYJRVRE-GFCCVEGCSA-N 0 3 254.286 0.942 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCCNC1 ZINC000071397414 388957938 /nfs/dbraw/zinc/95/79/38/388957938.db2.gz BPHUMUONFSPLCX-SNVBAGLBSA-N 0 3 299.352 0.934 20 5 CCBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCC[NH3+])c1[N+](=O)[O-] ZINC000193230247 389063673 /nfs/dbraw/zinc/06/36/73/389063673.db2.gz JBMAZAZZWLIWGN-UHFFFAOYSA-N 0 3 287.341 0.839 20 5 CCBDHN CN(CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360537 389094522 /nfs/dbraw/zinc/09/45/22/389094522.db2.gz DSQXCIJZFRYNFZ-SNVBAGLBSA-N 0 3 270.285 0.259 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000195314363 389123297 /nfs/dbraw/zinc/12/32/97/389123297.db2.gz UBRCJSRTMRNUJD-SNVBAGLBSA-N 0 3 281.316 0.392 20 5 CCBDHN CN1CC[C@H]2CCN(c3ncc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000273706474 389477191 /nfs/dbraw/zinc/47/71/91/389477191.db2.gz DNIJVGKVIJEVTG-ONGXEEELSA-N 0 3 263.301 0.915 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCC[C@H]1O ZINC000270612968 389433966 /nfs/dbraw/zinc/43/39/66/389433966.db2.gz ZSLDGTBYECSHAG-DGCLKSJQSA-N 0 3 295.339 0.849 20 5 CCBDHN C[C@@H]1COCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000374348098 389568352 /nfs/dbraw/zinc/56/83/52/389568352.db2.gz FFHZCQMWMQZWPQ-JTQLQIEISA-N 0 3 254.290 0.760 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)s1 ZINC000178916606 389627956 /nfs/dbraw/zinc/62/79/56/389627956.db2.gz OVWSLFMBGWVBNX-ZETCQYMHSA-N 0 3 291.354 0.687 20 5 CCBDHN C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000415382175 389679840 /nfs/dbraw/zinc/67/98/40/389679840.db2.gz KARHEDYPDZYKLF-BDAKNGLRSA-N 0 3 279.300 0.626 20 5 CCBDHN Cc1ccc(NC(=O)C(=O)N(C)C2CNC2)cc1[N+](=O)[O-] ZINC000415737372 389699928 /nfs/dbraw/zinc/69/99/28/389699928.db2.gz QDSQRMMANGYCOK-UHFFFAOYSA-N 0 3 292.295 0.272 20 5 CCBDHN CN(CCN(C)C1CC1)Cc1c([N+](=O)[O-])ncn1C ZINC000351962143 389726543 /nfs/dbraw/zinc/72/65/43/389726543.db2.gz PYMSDTOVMJBZAL-UHFFFAOYSA-N 0 3 267.333 0.854 20 5 CCBDHN CCOC(=O)c1ccnc(N2CCN[C@H](C)C2)c1[N+](=O)[O-] ZINC000420205501 389965660 /nfs/dbraw/zinc/96/56/60/389965660.db2.gz PIBYXSXZOJRMDC-SECBINFHSA-N 0 3 294.311 0.965 20 5 CCBDHN CN1CC[C@@H]2CN(c3ccc(N)c([N+](=O)[O-])n3)C[C@@H]21 ZINC000596262532 390368941 /nfs/dbraw/zinc/36/89/41/390368941.db2.gz FIPVUWCOZYIWSC-SCZZXKLOSA-N 0 3 263.301 0.712 20 5 CCBDHN C[C@H](NCC(=O)N1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000572868566 390808136 /nfs/dbraw/zinc/80/81/36/390808136.db2.gz KNPWRSPQKXNNET-NSHDSACASA-N 0 3 292.339 0.677 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000237614765 131046836 /nfs/dbraw/zinc/04/68/36/131046836.db2.gz KVCUONWLXCFJKU-DTWKUNHWSA-N 0 3 281.316 0.309 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN2CCCC[C@H]2C1 ZINC000371880634 144346561 /nfs/dbraw/zinc/34/65/61/144346561.db2.gz YRTYGCKDTOSLJQ-NSHDSACASA-N 0 3 279.344 0.998 20 5 CCBDHN CNc1c(C(=O)N[C@@H](CO)CN(C)C)cccc1[N+](=O)[O-] ZINC000597652643 397585130 /nfs/dbraw/zinc/58/51/30/397585130.db2.gz DBPFTVHWPWXFJC-SECBINFHSA-N 0 3 296.327 0.289 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[NH3+])cc1C ZINC000021513357 171311328 /nfs/dbraw/zinc/31/13/28/171311328.db2.gz HAPZSLZRBBBGSN-UHFFFAOYSA-N 0 3 287.341 0.839 20 5 CCBDHN N[C@@H]1C[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000424174138 274960181 /nfs/dbraw/zinc/96/01/81/274960181.db2.gz FQRMQZLLBHSUMA-POYBYMJQSA-N 0 3 261.241 0.179 20 5 CCBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)CN1 ZINC000086467451 278686667 /nfs/dbraw/zinc/68/66/67/278686667.db2.gz PBLQRIXESYWHSN-BDAKNGLRSA-N 0 3 266.301 0.756 20 5 CCBDHN CC[C@@H](CO)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000295836623 280147225 /nfs/dbraw/zinc/14/72/25/280147225.db2.gz ZCFIEEXLTGCQHF-JTQLQIEISA-N 0 3 269.301 0.459 20 5 CCBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C1CNC1 ZINC000357485238 525556709 /nfs/dbraw/zinc/55/67/09/525556709.db2.gz NOHOQVDIHXELLR-UHFFFAOYSA-N 0 3 299.352 0.804 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CNCCO1 ZINC000157353168 526073381 /nfs/dbraw/zinc/07/33/81/526073381.db2.gz LNDSLYAYNQUNJY-NSHDSACASA-N 0 3 279.296 0.621 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN[C@H](C)C1 ZINC000261560013 535968944 /nfs/dbraw/zinc/96/89/44/535968944.db2.gz FAHMHCGRHJHAAN-MRVPVSSYSA-N 0 3 253.306 0.918 20 5 CCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCCCC1 ZINC000795396469 581405642 /nfs/dbraw/zinc/40/56/42/581405642.db2.gz JVCAGISQTAHTST-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCCCC1 ZINC000763963970 582022874 /nfs/dbraw/zinc/02/28/74/582022874.db2.gz MNPZSDWAZYXNLH-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCCCC1 ZINC000763963970 582022877 /nfs/dbraw/zinc/02/28/77/582022877.db2.gz MNPZSDWAZYXNLH-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN COc1cc(N[C@@H](CO)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000809341693 617207519 /nfs/dbraw/zinc/20/75/19/617207519.db2.gz VVKUGBNGRNDWEF-SECBINFHSA-N 0 3 299.327 0.946 20 5 CCBDHN CCOC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])on1 ZINC000835454191 615400556 /nfs/dbraw/zinc/40/05/56/615400556.db2.gz INLKGGZUGCDSTD-LURJTMIESA-N 0 3 272.213 0.673 20 5 CCBDHN CCc1cc(N2CCC[C@@H](NCC[N+](=O)[O-])C2)ncn1 ZINC000905108142 615651664 /nfs/dbraw/zinc/65/16/64/615651664.db2.gz DJNZECQFATVLER-GFCCVEGCSA-N 0 3 279.344 0.874 20 5 CCBDHN CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821586467 615893571 /nfs/dbraw/zinc/89/35/71/615893571.db2.gz YZMHKOODGDLFTJ-UHFFFAOYSA-N 0 3 291.315 0.773 20 5 CCBDHN CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821586467 615893574 /nfs/dbraw/zinc/89/35/74/615893574.db2.gz YZMHKOODGDLFTJ-UHFFFAOYSA-N 0 3 291.315 0.773 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813106691 616015175 /nfs/dbraw/zinc/01/51/75/616015175.db2.gz GJUJVQCBNWWXDT-ZCFIWIBFSA-N 0 3 272.217 0.633 20 5 CCBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000874831033 616200534 /nfs/dbraw/zinc/20/05/34/616200534.db2.gz XEZRLDWRUFIKIY-NXEZZACHSA-N 0 3 279.300 0.627 20 5 CCBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000874842587 616215811 /nfs/dbraw/zinc/21/58/11/616215811.db2.gz JACRHIIWVDRYLI-QWRGUYRKSA-N 0 3 293.327 0.486 20 5 CCBDHN CN1CCN(C)CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000933992215 616236769 /nfs/dbraw/zinc/23/67/69/616236769.db2.gz FGIMACYUNDPJEG-UHFFFAOYSA-N 0 3 293.371 0.669 20 5 CCBDHN CN1CCOC[C@]1(CO)CNCc1ccc([N+](=O)[O-])cc1 ZINC000922539459 616250451 /nfs/dbraw/zinc/25/04/51/616250451.db2.gz LMPFMBOCGREMHY-CQSZACIVSA-N 0 3 295.339 0.378 20 5 CCBDHN COC(=O)C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000932104896 616664935 /nfs/dbraw/zinc/66/49/35/616664935.db2.gz NJKPAARXVBOBLC-GHMZBOCLSA-N 0 3 296.327 0.922 20 5 CCBDHN C[C@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CN2CCC1CC2 ZINC000892791544 623838479 /nfs/dbraw/zinc/83/84/79/623838479.db2.gz MBMIUDXVRNNNNF-ZDUSSCGKSA-N 0 3 293.327 0.392 20 5 CCBDHN O=C(N[C@@H]1[C@H]2CN(C/C=C\Cl)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776379 623882882 /nfs/dbraw/zinc/88/28/82/623882882.db2.gz ARYXGGKKVXTGRJ-PZIXTKMKSA-N 0 3 285.731 0.451 20 5 CCBDHN CC(COC(=O)c1cn(CC2(C)COC2)nn1)[N+](=O)[O-] ZINC000813109215 624654349 /nfs/dbraw/zinc/65/43/49/624654349.db2.gz GZDKTESYDMYHFE-MRVPVSSYSA-N 0 3 284.272 0.137 20 5 CCBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000905366126 634854804 /nfs/dbraw/zinc/85/48/04/634854804.db2.gz SRRGRRAXFVKFDB-JTQLQIEISA-N 0 3 274.267 0.982 20 5 CCBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2N[C@H]2CNOC2)n1 ZINC000925868059 631417138 /nfs/dbraw/zinc/41/71/38/631417138.db2.gz ABZLMFSTDSWCNV-AXFHLTTASA-N 0 3 281.316 0.768 20 5 CCBDHN Cc1cc(F)cc(C(=O)NCCN(C)CCO)c1[N+](=O)[O-] ZINC000925006513 631707148 /nfs/dbraw/zinc/70/71/48/631707148.db2.gz YEIUDBQOQOAJKZ-UHFFFAOYSA-N 0 3 299.302 0.696 20 5 CCBDHN O=[N+]([O-])CCN[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000905355003 634847241 /nfs/dbraw/zinc/84/72/41/634847241.db2.gz QZVKGVZZGCXIPN-HUUCEWRRSA-N 0 3 293.367 0.736 20 5 CCBDHN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912908931 636697540 /nfs/dbraw/zinc/69/75/40/636697540.db2.gz QNTUKQAAVRHYAF-MRVPVSSYSA-N 0 3 265.273 0.238 20 5 CCBDHN CC(COC(=O)C[C@H](NC(N)=O)c1ccccc1)[N+](=O)[O-] ZINC000813105297 641021821 /nfs/dbraw/zinc/02/18/21/641021821.db2.gz XMLOOMHWHCPDKZ-ONGXEEELSA-N 0 3 295.295 0.995 20 5 CCBDHN CC(COC(=O)[C@H](C)Sc1nncn1C)[N+](=O)[O-] ZINC000813104127 641022557 /nfs/dbraw/zinc/02/25/57/641022557.db2.gz KIUVTBPXUKVSFL-RQJHMYQMSA-N 0 3 274.302 0.504 20 5 CCBDHN CC(COC(=O)[C@@H]1CCc2nnn(C)c2C1)[N+](=O)[O-] ZINC000813114902 641024488 /nfs/dbraw/zinc/02/44/88/641024488.db2.gz XKHCNMYYIOHRJI-JGVFFNPUSA-N 0 3 268.273 0.128 20 5 CCBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1-n1cnnn1 ZINC000813112053 641024586 /nfs/dbraw/zinc/02/45/86/641024586.db2.gz MUMGCNOZPHRXSU-VIFPVBQESA-N 0 3 291.267 0.793 20 5 CCBDHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)c(N)c([N+](=O)[O-])c1 ZINC000816618766 641178915 /nfs/dbraw/zinc/17/89/15/641178915.db2.gz IHRURELZRFPAOK-SECBINFHSA-N 0 3 296.327 0.138 20 5 CCBDHN CC(COC(=O)c1cc2c(cn1)OCCO2)[N+](=O)[O-] ZINC000821166695 641571624 /nfs/dbraw/zinc/57/16/24/641571624.db2.gz HIGKDSDAVQCZOQ-SSDOTTSWSA-N 0 3 268.225 0.675 20 5 CCBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)C1CC1)[N+](=O)[O-] ZINC000842802455 642956351 /nfs/dbraw/zinc/95/63/51/642956351.db2.gz ZIWOHZFDFIZPTK-SCZZXKLOSA-N 0 3 270.285 0.596 20 5 CCBDHN Cc1noc(COC(=O)C2CCN(C)C2=O)c1[N+](=O)[O-] ZINC000853909783 644158689 /nfs/dbraw/zinc/15/86/89/644158689.db2.gz QXGRKAXCELIGKD-SSDOTTSWSA-N 0 3 283.240 0.413 20 5 CCBDHN O=C(N[C@@H]1CCCN2CCSC[C@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC000928079637 648612395 /nfs/dbraw/zinc/61/23/95/648612395.db2.gz NKJUYPCMRCPIMF-GWOFURMSSA-N 0 3 285.369 0.348 20 5 CCBDHN CC(COC(=O)[C@H](C)Cc1cnn(C)c1)[N+](=O)[O-] ZINC001122950504 799311793 /nfs/dbraw/zinc/31/17/93/799311793.db2.gz KFDZLQIHSQCONJ-RKDXNWHRSA-N 0 3 255.274 0.807 20 5 CCBDHN C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000839478163 800026142 /nfs/dbraw/zinc/02/61/42/800026142.db2.gz DBJRDURUIKBJLU-DDHJBXDOSA-N 0 3 299.371 0.656 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(NC2CCN([C@@H]3CCOC3)CC2)n1 ZINC001163760293 802607687 /nfs/dbraw/zinc/60/76/87/802607687.db2.gz YCNZPIXZANEHGD-LLVKDONJSA-N 0 3 295.343 0.994 20 5 CCBDHN NC[C@H](N)C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219253683 804249069 /nfs/dbraw/zinc/24/90/69/804249069.db2.gz FYJVKQWLWSXWPH-LBPRGKRZSA-N 0 3 296.330 0.615 20 5 CCBDHN O=C(C[C@H]1CNCCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261493118 808996506 /nfs/dbraw/zinc/99/65/06/808996506.db2.gz KQECVICZOKYRFQ-ZDUSSCGKSA-N 0 3 291.307 0.816 20 5 CCBDHN Cc1cc(CN)nn1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001163981796 820485918 /nfs/dbraw/zinc/48/59/18/820485918.db2.gz SSGHUUSWFVKZSM-UHFFFAOYSA-N 0 3 263.257 0.246 20 5 CCBDHN Cc1nc(N(C)S(=O)(=O)CCN)ccc1[N+](=O)[O-] ZINC001156231448 836041373 /nfs/dbraw/zinc/04/13/73/836041373.db2.gz GZLUVDKVRDIQMT-UHFFFAOYSA-N 0 3 274.302 0.023 20 5 CCBDHN COC(=O)CC1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037737 836112149 /nfs/dbraw/zinc/11/21/49/836112149.db2.gz TXQUYTCRQHYNKD-ONGXEEELSA-N 0 3 256.302 0.927 20 5 CCBDHN NCc1cnnn1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001169310250 836209713 /nfs/dbraw/zinc/20/97/13/836209713.db2.gz RRRBMWWFIDPECE-UHFFFAOYSA-N 0 3 254.637 0.683 20 5 CCBDHN CN1CCOC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169658067 836411177 /nfs/dbraw/zinc/41/11/77/836411177.db2.gz UWGRYUUBADJMTR-LBPRGKRZSA-N 0 3 292.339 0.941 20 5 CCBDHN C[C@@H]1CCCN1CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001183226816 843980738 /nfs/dbraw/zinc/98/07/38/843980738.db2.gz IVXNSFLXCAFFLS-SECBINFHSA-N 0 3 293.327 0.786 20 5 CCBDHN CN(C)CCONC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001118705644 856404149 /nfs/dbraw/zinc/40/41/49/856404149.db2.gz VUXIVMDPKLVKHC-UHFFFAOYSA-N 0 3 268.273 0.400 20 5 CCBDHN CC1(C)[C@H](N2CCOCC2)C[C@@H]1NCC[N+](=O)[O-] ZINC001335470211 906817434 /nfs/dbraw/zinc/81/74/34/906817434.db2.gz UACUYWITOSGFPA-WDEREUQCSA-N 0 3 257.334 0.352 20 5 CCBDHN CC(C)[C@H]1CN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CCN1C ZINC001339542155 921756716 /nfs/dbraw/zinc/75/67/16/921756716.db2.gz PWOUYQZQRVDIIB-GHMZBOCLSA-N 0 3 296.375 0.929 20 5 CCBDHN Cn1nnnc1CCCNCc1csc([N+](=O)[O-])c1 ZINC001334343958 919512952 /nfs/dbraw/zinc/51/29/52/919512952.db2.gz AYHKNJWPCANTQB-UHFFFAOYSA-N 0 3 282.329 0.902 20 5 CCBDHN O=[N+]([O-])c1cccc([C@H](O)CNC/C=C/CO)c1 ZINC001335379126 920158118 /nfs/dbraw/zinc/15/81/18/920158118.db2.gz ABFLUVFNCPGUEI-YYRQZUAOSA-N 0 3 252.270 0.766 20 5 CCBDHN CCn1c(C[N+](=O)[O-])nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001342650890 923039699 /nfs/dbraw/zinc/03/96/99/923039699.db2.gz HQJVPZDXECAHLU-QWRGUYRKSA-N 0 3 296.375 0.994 20 5 CCBDHN CC(C)(O)CN1CC[C@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC001351791319 925473137 /nfs/dbraw/zinc/47/31/37/925473137.db2.gz SWNOWMVWODZVHB-JTQLQIEISA-N 0 3 280.328 0.669 20 5 CCBDHN O=C1NCCC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC001352941723 925679120 /nfs/dbraw/zinc/67/91/20/925679120.db2.gz QALKTIKUPCQNPE-UHFFFAOYSA-N 0 3 293.327 0.393 20 5 CCBDHN CC(C)CN1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001355415527 926255497 /nfs/dbraw/zinc/25/54/97/926255497.db2.gz JNZZPWHAFWNSNA-LLVKDONJSA-N 0 3 296.375 0.931 20 5 CCBDHN Cn1ccnc1[C@H]1C[C@@H](NCC[N+](=O)[O-])CCO1 ZINC001356101942 926344229 /nfs/dbraw/zinc/34/42/29/926344229.db2.gz IUIQKPKCLBHJIB-VHSXEESVSA-N 0 3 254.290 0.507 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCN1CCCC1 ZINC000103116726 349689929 /nfs/dbraw/zinc/68/99/29/349689929.db2.gz VFXUDSHYMOFRFC-UHFFFAOYSA-N 0 3 295.343 0.654 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CCN[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000262898100 282255305 /nfs/dbraw/zinc/25/53/05/282255305.db2.gz XKQPBKCWXKHVIH-CBAPKCEASA-N 0 3 281.316 0.459 20 5 CCBDHN CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000358301552 529810571 /nfs/dbraw/zinc/81/05/71/529810571.db2.gz JBAYNDAKWLAZKJ-NSHDSACASA-N 0 3 252.274 0.468 20 5 CCBDHN NC(=O)c1ccc(CN2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601973365 362445070 /nfs/dbraw/zinc/44/50/70/362445070.db2.gz LQGMUVODZTZXMW-TXEJJXNPSA-N 0 3 291.307 0.772 20 5 CCBDHN CCN[C@H](C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602500928 362647217 /nfs/dbraw/zinc/64/72/17/362647217.db2.gz CLPAMQDHCZYPIU-SNVBAGLBSA-N 0 3 295.343 0.953 20 5 CCBDHN CN(CCN1CCCC1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602657904 362735375 /nfs/dbraw/zinc/73/53/75/362735375.db2.gz UCRGYEFPFHVJLS-UHFFFAOYSA-N 0 3 267.333 0.856 20 5 CCBDHN CO[C@@H]1COC[C@@H]1NCCn1c(C)ncc1[N+](=O)[O-] ZINC000602841793 362829884 /nfs/dbraw/zinc/82/98/84/362829884.db2.gz UKSKCUKBBVMCSY-VHSXEESVSA-N 0 3 270.289 0.103 20 5 CCBDHN O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CNCCO2)s1 ZINC000261848964 137022604 /nfs/dbraw/zinc/02/26/04/137022604.db2.gz WNYGSCDHYTVINS-SSDOTTSWSA-N 0 3 295.324 1.000 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@]2(O)CCOC2)c(F)c1 ZINC000312007174 137076310 /nfs/dbraw/zinc/07/63/10/137076310.db2.gz RFRILVZNDGIZHC-GFCCVEGCSA-N 0 3 270.260 0.975 20 5 CCBDHN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CCCN1C ZINC000343553933 137141560 /nfs/dbraw/zinc/14/15/60/137141560.db2.gz VKQZLGZAVWLFOR-JGVFFNPUSA-N 0 3 266.305 0.692 20 5 CCBDHN CCCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000343992620 137172173 /nfs/dbraw/zinc/17/21/73/137172173.db2.gz ZGKZCWQFMAJFCO-VIFPVBQESA-N 0 3 280.332 0.506 20 5 CCBDHN Cn1c(C(=O)NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000344823974 137215361 /nfs/dbraw/zinc/21/53/61/137215361.db2.gz ZEVVJIDHNSAZEM-UHFFFAOYSA-N 0 3 266.301 0.759 20 5 CCBDHN Cc1c(NC(=O)CN2CCNCC2)cccc1[N+](=O)[O-] ZINC000037631726 348196886 /nfs/dbraw/zinc/19/68/86/348196886.db2.gz UNVJRQXGOSIENI-UHFFFAOYSA-N 0 3 278.312 0.747 20 5 CCBDHN CC(C(=O)NCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000046149952 348350669 /nfs/dbraw/zinc/35/06/69/348350669.db2.gz BANGKIDVTZITRZ-QMMMGPOBSA-N 0 3 286.309 0.644 20 5 CCBDHN CO[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@@](C)(CO)C1 ZINC000602964514 362910714 /nfs/dbraw/zinc/91/07/14/362910714.db2.gz QTQXRMOJJYGLNK-NWDGAFQWSA-N 0 3 284.316 0.263 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2[C@@H](CO)CC[C@H]2CO)cc1 ZINC000347309621 137330360 /nfs/dbraw/zinc/33/03/60/137330360.db2.gz LGOFXHUQPOYJNK-OKILXGFUSA-N 0 3 280.324 0.955 20 5 CCBDHN COCCCN(C)CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347519301 137341047 /nfs/dbraw/zinc/34/10/47/137341047.db2.gz KRTWCDWNWIPKBD-UHFFFAOYSA-N 0 3 299.331 0.026 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN(CCO)CCO)cc1 ZINC000050103397 348466535 /nfs/dbraw/zinc/46/65/35/348466535.db2.gz NXGRRQPBIRJCBW-UHFFFAOYSA-N 0 3 254.286 0.424 20 5 CCBDHN Cc1cc(C(=O)N2CCN(C)C[C@@H]2CN)ccc1[N+](=O)[O-] ZINC000124316495 350095687 /nfs/dbraw/zinc/09/56/87/350095687.db2.gz ZWINYHMEKRRZHE-LBPRGKRZSA-N 0 3 292.339 0.618 20 5 CCBDHN CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000124350586 350096419 /nfs/dbraw/zinc/09/64/19/350096419.db2.gz VYBZQLTZNXZFEF-LBPRGKRZSA-N 0 3 293.327 0.701 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccoc2)c1 ZINC000126034173 350135812 /nfs/dbraw/zinc/13/58/12/350135812.db2.gz XKGVHULJFWGCEC-LLVKDONJSA-N 0 3 266.257 0.535 20 5 CCBDHN NC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000132224528 350300359 /nfs/dbraw/zinc/30/03/59/350300359.db2.gz WEICQKPWZVOLAR-UHFFFAOYSA-N 0 3 293.323 0.761 20 5 CCBDHN C[C@@H](O)CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000132211644 350300638 /nfs/dbraw/zinc/30/06/38/350300638.db2.gz ISKRCNVPNSGQON-SECBINFHSA-N 0 3 255.274 0.069 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCC[C@@H]1O ZINC000159809809 350688848 /nfs/dbraw/zinc/68/88/48/350688848.db2.gz OLRGEPYIUYZVGP-QWRGUYRKSA-N 0 3 268.317 0.884 20 5 CCBDHN COCCN(C)CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000171070424 350882228 /nfs/dbraw/zinc/88/22/28/350882228.db2.gz FKVOVGIDGXAYFB-UHFFFAOYSA-N 0 3 297.315 0.079 20 5 CCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172605921 350997405 /nfs/dbraw/zinc/99/74/05/350997405.db2.gz RYNMDDUYCYWODN-JQWIXIFHSA-N 0 3 295.343 0.590 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)CCN1CCOCC1 ZINC000176240899 351163696 /nfs/dbraw/zinc/16/36/96/351163696.db2.gz OLSIJKBARVTZBK-UHFFFAOYSA-N 0 3 283.332 0.055 20 5 CCBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N(C)C ZINC000122799476 187052040 /nfs/dbraw/zinc/05/20/40/187052040.db2.gz VDXBYWXQANVGNI-QMMMGPOBSA-N 0 3 266.301 0.857 20 5 CCBDHN COc1ccc(NC(=O)[C@H](CN)OC)cc1[N+](=O)[O-] ZINC000227400930 352050148 /nfs/dbraw/zinc/05/01/48/352050148.db2.gz DYVOZHKNTLTDOW-JTQLQIEISA-N 0 3 269.257 0.516 20 5 CCBDHN O=[N+]([O-])c1ccc(NC[C@H]2CSCCN2)nc1 ZINC000603419013 363122555 /nfs/dbraw/zinc/12/25/55/363122555.db2.gz LANFUJXLNBXINU-QMMMGPOBSA-N 0 3 254.315 0.529 20 5 CCBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000247471835 352415855 /nfs/dbraw/zinc/41/58/55/352415855.db2.gz RYNMDDUYCYWODN-CMPLNLGQSA-N 0 3 295.343 0.590 20 5 CCBDHN CN(C)C[C@@H]1CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000268218845 352817746 /nfs/dbraw/zinc/81/77/46/352817746.db2.gz WICZNUXOPNKUAL-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN CNC(=O)[C@H](C)CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269629397 352855846 /nfs/dbraw/zinc/85/58/46/352855846.db2.gz DUPIWZNGNQSYSG-ZWNOBZJWSA-N 0 3 295.339 0.942 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000292347934 198254132 /nfs/dbraw/zinc/25/41/32/198254132.db2.gz OBTZCYVVZNGFKI-UWVGGRQHSA-N 0 3 283.332 0.231 20 5 CCBDHN C[C@H]1C[C@@H](O)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000292362042 198259197 /nfs/dbraw/zinc/25/91/97/198259197.db2.gz IHPAYEQWIZAQSY-ONGXEEELSA-N 0 3 254.290 0.637 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](O)CC2)n1 ZINC000293301996 353803002 /nfs/dbraw/zinc/80/30/02/353803002.db2.gz WPJOPQCCIDPZRG-JTQLQIEISA-N 0 3 254.290 0.638 20 5 CCBDHN C[C@@H]1[C@H](O)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000296036269 353928316 /nfs/dbraw/zinc/92/83/16/353928316.db2.gz FBCOPOBAPUFIII-NXEZZACHSA-N 0 3 254.290 0.637 20 5 CCBDHN CCN1CCC(N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000330565919 354415842 /nfs/dbraw/zinc/41/58/42/354415842.db2.gz KYZRDYSOQGVMIT-UHFFFAOYSA-N 0 3 295.343 0.885 20 5 CCBDHN Cc1c([N+](=O)[O-])ccc(=O)n1C[C@@H](O)CN(C)C1CC1 ZINC000336844542 355214293 /nfs/dbraw/zinc/21/42/93/355214293.db2.gz ZWODQMPPPIZJMQ-NSHDSACASA-N 0 3 281.312 0.520 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CCN1C ZINC000558750238 291071610 /nfs/dbraw/zinc/07/16/10/291071610.db2.gz XMYAUXBLZUYCPS-HTQZYQBOSA-N 0 3 267.289 0.530 20 5 CCBDHN C[C@@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341584101 355698466 /nfs/dbraw/zinc/69/84/66/355698466.db2.gz LNCLMXCGDAFBOU-LLVKDONJSA-N 0 3 280.328 0.392 20 5 CCBDHN CN(C)CCN(C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342792126 355747524 /nfs/dbraw/zinc/74/75/24/355747524.db2.gz TUNIRFSKZJQNIY-UHFFFAOYSA-N 0 3 266.301 0.692 20 5 CCBDHN CN1CC[C@H](c2nc(-c3c([N+](=O)[O-])ncn3C)no2)C1 ZINC000350277675 355996640 /nfs/dbraw/zinc/99/66/40/355996640.db2.gz WNNJLHMAANMWEE-ZETCQYMHSA-N 0 3 278.272 0.797 20 5 CCBDHN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCN(C2CC2)C1 ZINC000352954670 356119073 /nfs/dbraw/zinc/11/90/73/356119073.db2.gz FPMIMDKFIPIJSZ-VIFPVBQESA-N 0 3 279.300 0.627 20 5 CCBDHN C[C@H]1C[C@@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1C ZINC000559367642 291082840 /nfs/dbraw/zinc/08/28/40/291082840.db2.gz TZBQFGGGDWYPFH-IUCAKERBSA-N 0 3 281.316 0.873 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@]1(O)CCN(C)C1 ZINC000361016466 138019327 /nfs/dbraw/zinc/01/93/27/138019327.db2.gz ZDNWPHPJMGXDKA-GFCCVEGCSA-N 0 3 283.332 0.598 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1CO ZINC000362079635 138046002 /nfs/dbraw/zinc/04/60/02/138046002.db2.gz UXODZSAJQUJHPX-GHMZBOCLSA-N 0 3 281.312 0.317 20 5 CCBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000354599576 356448917 /nfs/dbraw/zinc/44/89/17/356448917.db2.gz SAXWXQLGAZNDHQ-ZJUUUORDSA-N 0 3 283.357 0.867 20 5 CCBDHN CN(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000560635972 291110580 /nfs/dbraw/zinc/11/05/80/291110580.db2.gz RCOTVCMMTPFWRL-RYUDHWBXSA-N 0 3 279.296 0.342 20 5 CCBDHN Cn1c(C(=O)N[C@@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000449662444 236043740 /nfs/dbraw/zinc/04/37/40/236043740.db2.gz LQTUPKXCUZGOBX-MRVPVSSYSA-N 0 3 288.254 0.660 20 5 CCBDHN C[C@@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000567909544 358612034 /nfs/dbraw/zinc/61/20/34/358612034.db2.gz FATZJOCOOJUZPI-SSDOTTSWSA-N 0 3 250.258 0.222 20 5 CCBDHN CNc1nccc(C(=O)NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000573107119 358938097 /nfs/dbraw/zinc/93/80/97/358938097.db2.gz RESWFKXEQIJBAH-UHFFFAOYSA-N 0 3 293.327 0.277 20 5 CCBDHN CO[C@H](CN)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000574749713 359040093 /nfs/dbraw/zinc/04/00/93/359040093.db2.gz RRVPHZCTWVINDY-LLVKDONJSA-N 0 3 283.284 0.064 20 5 CCBDHN CN(C)C[C@H](CO)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000589101373 359358703 /nfs/dbraw/zinc/35/87/03/359358703.db2.gz BHGGJXOXZHIPFX-SSDOTTSWSA-N 0 3 285.329 0.638 20 5 CCBDHN Cc1c(CC(=O)N[C@@H](CO)CN(C)C)cccc1[N+](=O)[O-] ZINC000588866982 359344931 /nfs/dbraw/zinc/34/49/31/359344931.db2.gz URSVIOMKLFNWFC-GFCCVEGCSA-N 0 3 295.339 0.484 20 5 CCBDHN C[C@H](O)CN(CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000594061839 360245049 /nfs/dbraw/zinc/24/50/49/360245049.db2.gz CDUTWZPOHRZEMO-VIFPVBQESA-N 0 3 254.290 0.637 20 5 CCBDHN CN(C)CCc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594650666 360349858 /nfs/dbraw/zinc/34/98/58/360349858.db2.gz ZSXOVBHIVRGFTO-UHFFFAOYSA-N 0 3 262.273 0.675 20 5 CCBDHN COC(=O)[C@]1(C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000177445299 189051515 /nfs/dbraw/zinc/05/15/15/189051515.db2.gz RNCLTWHCBJRSJC-GFCCVEGCSA-N 0 3 282.300 0.676 20 5 CCBDHN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595111071 360438270 /nfs/dbraw/zinc/43/82/70/360438270.db2.gz GEVVQGLOJNGYBA-QMMMGPOBSA-N 0 3 288.329 0.396 20 5 CCBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC12CC(C1)C[NH2+]2 ZINC000595120692 360440781 /nfs/dbraw/zinc/44/07/81/360440781.db2.gz KPTDHFZUYPHVLX-UHFFFAOYSA-N 0 3 298.324 0.020 20 5 CCBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000595559092 360579707 /nfs/dbraw/zinc/57/97/07/360579707.db2.gz DSQYZFSIYPCOAD-QWHCGFSZSA-N 0 3 295.314 0.985 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2C[C@H](O)C2)c1 ZINC000596066224 360785085 /nfs/dbraw/zinc/78/50/85/360785085.db2.gz ABMAHYUYNIEAJR-YUSALJHKSA-N 0 3 282.296 0.447 20 5 CCBDHN CCn1nccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596069437 360787076 /nfs/dbraw/zinc/78/70/76/360787076.db2.gz HBCVPYFGHYTDTG-LBPRGKRZSA-N 0 3 294.315 0.158 20 5 CCBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596179530 360824419 /nfs/dbraw/zinc/82/44/19/360824419.db2.gz PLSWXUYFACSDPR-UHFFFAOYSA-N 0 3 264.285 0.444 20 5 CCBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000598341387 361390939 /nfs/dbraw/zinc/39/09/39/361390939.db2.gz AKISJGNVGFEJQH-QMMMGPOBSA-N 0 3 267.289 0.532 20 5 CCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCNCC1 ZINC000262008694 283667994 /nfs/dbraw/zinc/66/79/94/283667994.db2.gz SITMJIGHRRTBSB-UHFFFAOYSA-N 0 3 264.285 0.613 20 5 CCBDHN CC(C)[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1 ZINC000598575772 361447908 /nfs/dbraw/zinc/44/79/08/361447908.db2.gz XFKVXEVJUWPPCN-VIFPVBQESA-N 0 3 281.316 0.398 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C ZINC000330592976 203012359 /nfs/dbraw/zinc/01/23/59/203012359.db2.gz PNGQWWKCSHRMJR-MNOVXSKESA-N 0 3 267.333 0.816 20 5 CCBDHN COC(=O)CC1(NCCn2ccc([N+](=O)[O-])n2)CC1 ZINC000567740385 291509000 /nfs/dbraw/zinc/50/90/00/291509000.db2.gz VCUBHACWPGRVRO-UHFFFAOYSA-N 0 3 268.273 0.477 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC(C)(C)CN1CCCC1 ZINC000457050307 249039872 /nfs/dbraw/zinc/03/98/72/249039872.db2.gz LAUGHNJBXKZPLX-UHFFFAOYSA-N 0 3 295.343 0.933 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000289279443 197282905 /nfs/dbraw/zinc/28/29/05/197282905.db2.gz SLMMBGQMACAKPY-VIFPVBQESA-N 0 3 284.320 0.041 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](CO)C1 ZINC000248449168 285164682 /nfs/dbraw/zinc/16/46/82/285164682.db2.gz ICKQLJGFLFHOAS-NEPJUHHUSA-N 0 3 296.323 0.649 20 5 CCBDHN COC[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000452042423 533130741 /nfs/dbraw/zinc/13/07/41/533130741.db2.gz UAXFCBOKQCNZES-YPMHNXCESA-N 0 3 298.343 0.653 20 5 CCBDHN C[C@]1(F)CNCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000420328658 285242589 /nfs/dbraw/zinc/24/25/89/285242589.db2.gz IHMJWDMYOFMYCK-NSHDSACASA-N 0 3 271.296 0.425 20 5 CCBDHN CS(=O)(=O)N1CC(CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000189707253 388970140 /nfs/dbraw/zinc/97/01/40/388970140.db2.gz XTXAKLPPQDWUQB-UHFFFAOYSA-N 0 3 299.352 0.576 20 5 CCBDHN CO[C@]1(C)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000330994338 389275971 /nfs/dbraw/zinc/27/59/71/389275971.db2.gz NVUPVRBPUCEMOB-CHWSQXEVSA-N 0 3 298.343 0.653 20 5 CCBDHN CN(CCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281954167 389638562 /nfs/dbraw/zinc/63/85/62/389638562.db2.gz UQCUMBKBHAZWBE-LBPRGKRZSA-N 0 3 284.312 0.649 20 5 CCBDHN O=C(COC1CNC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000430383068 389798067 /nfs/dbraw/zinc/79/80/67/389798067.db2.gz ZWZDXPAYCURJOY-UHFFFAOYSA-N 0 3 277.280 0.472 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)C[NH3+] ZINC000447252538 389949621 /nfs/dbraw/zinc/94/96/21/389949621.db2.gz RUMKHAVLZIZGGU-MRVPVSSYSA-N 0 3 287.341 0.776 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]CC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000440339692 390035149 /nfs/dbraw/zinc/03/51/49/390035149.db2.gz MIPIBSRNYLNNGU-VIFPVBQESA-N 0 3 287.341 0.919 20 5 CCBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cn[nH]c1 ZINC000494670021 390191583 /nfs/dbraw/zinc/19/15/83/390191583.db2.gz QWEMGUWXYWOUKU-MRVPVSSYSA-N 0 3 250.262 0.865 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237419478 131029468 /nfs/dbraw/zinc/02/94/68/131029468.db2.gz IVGKRCJXTFADFE-ZJUUUORDSA-N 0 3 295.343 0.699 20 5 CCBDHN C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)N(C)C1CC1 ZINC000263971275 131371343 /nfs/dbraw/zinc/37/13/43/131371343.db2.gz VGZFQEZGDNLDKH-ZETCQYMHSA-N 0 3 266.305 0.862 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358057205 144146592 /nfs/dbraw/zinc/14/65/92/144146592.db2.gz OUXZMIFFGCUASU-CQSZACIVSA-N 0 3 293.323 0.700 20 5 CCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285594432 196338378 /nfs/dbraw/zinc/33/83/78/196338378.db2.gz IXNGCOAAQDFDPR-SCZZXKLOSA-N 0 3 281.316 0.730 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000519181568 265360138 /nfs/dbraw/zinc/36/01/38/265360138.db2.gz GWESMMXHQOMDMS-WDEREUQCSA-N 0 3 291.311 0.046 20 5 CCBDHN CN1CC[C@]2(CCN(c3ncc([N+](=O)[O-])cn3)C2)C1 ZINC000292201410 277186585 /nfs/dbraw/zinc/18/65/85/277186585.db2.gz GSTJAJQAOUFMEN-LBPRGKRZSA-N 0 3 263.301 0.917 20 5 CCBDHN CNCCN(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000070303943 277270670 /nfs/dbraw/zinc/27/06/70/277270670.db2.gz GABNKPGAAGDOPG-UHFFFAOYSA-N 0 3 287.341 0.743 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272138360 279385382 /nfs/dbraw/zinc/38/53/82/279385382.db2.gz AZOAIESAJNCCNF-NXEZZACHSA-N 0 3 265.317 0.859 20 5 CCBDHN O=C(N[C@H]1CNCCC1(F)F)c1[nH]ncc1[N+](=O)[O-] ZINC000572841333 328112161 /nfs/dbraw/zinc/11/21/61/328112161.db2.gz PJNBCLAEMMOSQI-LURJTMIESA-N 0 3 275.215 0.045 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1C ZINC000379491801 329557955 /nfs/dbraw/zinc/55/79/55/329557955.db2.gz HXUAYQQGUSPMSC-SFYZADRCSA-N 0 3 252.274 0.745 20 5 CCBDHN N[C@H]1C[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000575935145 335133521 /nfs/dbraw/zinc/13/35/21/335133521.db2.gz GXPKVXAMOZUKST-WPRPVWTQSA-N 0 3 294.286 0.482 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CNCCC1(F)F ZINC000578534770 335646908 /nfs/dbraw/zinc/64/69/08/335646908.db2.gz VBIOGAKUNYEFMQ-VIFPVBQESA-N 0 3 288.254 0.660 20 5 CCBDHN COc1ccc(NC(=O)CCOC2CNC2)cc1[N+](=O)[O-] ZINC000423720398 534068742 /nfs/dbraw/zinc/06/87/42/534068742.db2.gz GYHYWBCRBXCZGH-UHFFFAOYSA-N 0 3 295.295 0.920 20 5 CCBDHN COc1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1[N+](=O)[O-] ZINC000424199506 534155024 /nfs/dbraw/zinc/15/50/24/534155024.db2.gz YVXXQJSGXOCWIE-SFYZADRCSA-N 0 3 251.242 0.889 20 5 CCBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000183985694 521114096 /nfs/dbraw/zinc/11/40/96/521114096.db2.gz LZYUOEFBXKKHBQ-UHFFFAOYSA-N 0 3 281.312 0.639 20 5 CCBDHN CC(C(=O)NCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000048737293 526080788 /nfs/dbraw/zinc/08/07/88/526080788.db2.gz LNPUZBFGGBULIZ-MRVPVSSYSA-N 0 3 286.309 0.644 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN[C@@H](C)C1 ZINC000261560014 535968858 /nfs/dbraw/zinc/96/88/58/535968858.db2.gz FAHMHCGRHJHAAN-QMMMGPOBSA-N 0 3 253.306 0.918 20 5 CCBDHN COC(=O)CCN(CC[N+](=O)[O-])C1CCOCC1 ZINC000791051308 581205314 /nfs/dbraw/zinc/20/53/14/581205314.db2.gz AMVRVPPLYCLUET-UHFFFAOYSA-N 0 3 260.290 0.307 20 5 CCBDHN CN(Cn1nccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000732188126 581807854 /nfs/dbraw/zinc/80/78/54/581807854.db2.gz GMEGWEDRJCELEI-LLVKDONJSA-N 0 3 265.317 0.917 20 5 CCBDHN CC(C)[C@@H](CN(C)C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000733164084 581868465 /nfs/dbraw/zinc/86/84/65/581868465.db2.gz LQVOAHOAPBCPLT-SNVBAGLBSA-N 0 3 283.332 0.494 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000761072370 581886205 /nfs/dbraw/zinc/88/62/05/581886205.db2.gz SRQWLPKSYUVVBD-SNVBAGLBSA-N 0 3 253.306 0.427 20 5 CCBDHN CN(C)CCOC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000738211181 582029059 /nfs/dbraw/zinc/02/90/59/582029059.db2.gz SHSVLTCXLOCESD-UHFFFAOYSA-N 0 3 297.359 0.791 20 5 CCBDHN C[C@H](O)CN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585266 582081736 /nfs/dbraw/zinc/08/17/36/582081736.db2.gz STXHPPXLBFSWEO-CABZTGNLSA-N 0 3 254.286 0.941 20 5 CCBDHN C[C@H](O)CN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585267 582081881 /nfs/dbraw/zinc/08/18/81/582081881.db2.gz STXHPPXLBFSWEO-JOYOIKCWSA-N 0 3 254.286 0.941 20 5 CCBDHN CC(C)(CCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)[N+](=O)[O-] ZINC000861718466 614081242 /nfs/dbraw/zinc/08/12/42/614081242.db2.gz XEDHHTKSOLAGEW-VXGBXAGGSA-N 0 3 299.371 0.489 20 5 CCBDHN COc1ccc(C(=O)NCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107386 617228209 /nfs/dbraw/zinc/22/82/09/617228209.db2.gz MTLUMPMUTMDCND-SECBINFHSA-N 0 3 296.279 0.633 20 5 CCBDHN CCOCCn1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000857029203 615303008 /nfs/dbraw/zinc/30/30/08/615303008.db2.gz KSEHAOCJZGWECN-VIFPVBQESA-N 0 3 271.273 0.742 20 5 CCBDHN CN(C)C[C@H](CO)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865807813 615939441 /nfs/dbraw/zinc/93/94/41/615939441.db2.gz RHHLTXUFCORSCZ-SECBINFHSA-N 0 3 287.291 0.561 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874833245 616199168 /nfs/dbraw/zinc/19/91/68/616199168.db2.gz LGAWWEWNLWFBBC-VHSXEESVSA-N 0 3 293.327 0.637 20 5 CCBDHN CN1CCN([C@@H](CNCC[N+](=O)[O-])c2cccs2)CC1 ZINC000899859629 616246527 /nfs/dbraw/zinc/24/65/27/616246527.db2.gz LODBHLHHRWITJS-LBPRGKRZSA-N 0 3 298.412 0.903 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816951736 616390970 /nfs/dbraw/zinc/39/09/70/616390970.db2.gz VHQNURSEDCEGRG-ZWNOBZJWSA-N 0 3 290.323 0.953 20 5 CCBDHN COCCn1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1=O ZINC000813111585 616729743 /nfs/dbraw/zinc/72/97/43/616729743.db2.gz VJMGLFLZEAPLST-SECBINFHSA-N 0 3 284.268 0.317 20 5 CCBDHN COCCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000870376762 616757593 /nfs/dbraw/zinc/75/75/93/616757593.db2.gz MKTVWCZUBMRUJO-MRVPVSSYSA-N 0 3 271.273 0.660 20 5 CCBDHN CO[C@@H]1COC[C@@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839201604 616821314 /nfs/dbraw/zinc/82/13/14/616821314.db2.gz WHHXARAZBCHLIB-RWMBFGLXSA-N 0 3 282.296 0.632 20 5 CCBDHN CC(COC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)[N+](=O)[O-] ZINC000813103325 624648205 /nfs/dbraw/zinc/64/82/05/624648205.db2.gz OIIAAXDERVSJDX-HRDYMLBCSA-N 0 3 258.274 0.487 20 5 CCBDHN CC(COC(=O)c1ccc([N+](=O)[O-])n1C)[N+](=O)[O-] ZINC000813106151 624649820 /nfs/dbraw/zinc/64/98/20/624649820.db2.gz ZMQAURFFYPAZGR-ZCFIWIBFSA-N 0 3 257.202 0.755 20 5 CCBDHN Cn1ccnc1[C@@](O)(CCNCC[N+](=O)[O-])C(F)(F)F ZINC000905061365 634793508 /nfs/dbraw/zinc/79/35/08/634793508.db2.gz HTNIHRYHMHLVNC-VIFPVBQESA-N 0 3 296.249 0.426 20 5 CCBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1ccncc1Cl ZINC000905370542 634855803 /nfs/dbraw/zinc/85/58/03/634855803.db2.gz FLXALIZZQPUKRV-VIFPVBQESA-N 0 3 273.720 0.752 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000928443942 631849664 /nfs/dbraw/zinc/84/96/64/631849664.db2.gz WQWARWOVMIWONL-SCZZXKLOSA-N 0 3 264.285 0.812 20 5 CCBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)CN1 ZINC000262317625 632330411 /nfs/dbraw/zinc/33/04/11/632330411.db2.gz DRKWQFWLZUTWJF-BDAKNGLRSA-N 0 3 278.312 0.999 20 5 CCBDHN CC(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000989824136 633362625 /nfs/dbraw/zinc/36/26/25/633362625.db2.gz BUYRLNQAGVGMFC-UHFFFAOYSA-N 0 3 281.316 0.429 20 5 CCBDHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813105467 641022495 /nfs/dbraw/zinc/02/24/95/641022495.db2.gz ZQVYMHWUTHTKEU-ZETCQYMHSA-N 0 3 294.267 0.082 20 5 CCBDHN Cc1ccn(CC(=O)OCC(C)[N+](=O)[O-])c(=O)c1 ZINC000813111298 641024503 /nfs/dbraw/zinc/02/45/03/641024503.db2.gz GDKVFSMVYKBWRQ-SECBINFHSA-N 0 3 254.242 0.365 20 5 CCBDHN O=[N+]([O-])CCN1CCC[C@@H](CN2CCOCC2)C1 ZINC000930336417 648850968 /nfs/dbraw/zinc/85/09/68/648850968.db2.gz SFGFUEHATLPOHK-GFCCVEGCSA-N 0 3 257.334 0.307 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCCN(C)C1 ZINC000932069654 649045028 /nfs/dbraw/zinc/04/50/28/649045028.db2.gz DWPWSWWIZUCETP-SNVBAGLBSA-N 0 3 281.316 0.310 20 5 CCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc([O-])c1F ZINC001233871068 806137174 /nfs/dbraw/zinc/13/71/74/806137174.db2.gz LFVOJUZQCGELAD-SECBINFHSA-O 0 3 272.296 0.894 20 5 CCBDHN CCN1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2C)C[C@H]1C ZINC001121298448 799029821 /nfs/dbraw/zinc/02/98/21/799029821.db2.gz HLIOBXNFCDNBTC-ZJUUUORDSA-N 0 3 282.348 0.511 20 5 CCBDHN NCc1cn(-c2nc(Cl)ncc2[N+](=O)[O-])cn1 ZINC001154906030 800867413 /nfs/dbraw/zinc/86/74/13/800867413.db2.gz RFQNCBWCWYMWSG-UHFFFAOYSA-N 0 3 254.637 0.683 20 5 CCBDHN NCc1cn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])cn1 ZINC001154909684 800868971 /nfs/dbraw/zinc/86/89/71/800868971.db2.gz SIWHWYABGDWHPL-UHFFFAOYSA-N 0 3 269.648 0.526 20 5 CCBDHN Cc1nc(NC(=N)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001157911145 801517822 /nfs/dbraw/zinc/51/78/22/801517822.db2.gz YVELDFGKIRHMQH-UHFFFAOYSA-N 0 3 278.316 0.892 20 5 CCBDHN CN(C)/C=C/c1cc(-n2nncc2CN)ncc1[N+](=O)[O-] ZINC001158428101 801646394 /nfs/dbraw/zinc/64/63/94/801646394.db2.gz OTRGLARMNLNEJI-ONEGZZNKSA-N 0 3 289.299 0.562 20 5 CCBDHN C[C@@H](Nc1cccc([N+](=O)[O-])n1)[C@H]1CNCCO1 ZINC001159495987 801819869 /nfs/dbraw/zinc/81/98/69/801819869.db2.gz HOYMHFNQSKOBQK-RKDXNWHRSA-N 0 3 252.274 0.779 20 5 CCBDHN C[C@H](Nc1cc(N)c([N+](=O)[O-])cn1)[C@H]1CNCCO1 ZINC001159497945 801822590 /nfs/dbraw/zinc/82/25/90/801822590.db2.gz JXLJOXZBOVBKMS-OIBJUYFYSA-N 0 3 267.289 0.361 20 5 CCBDHN COc1nc(-n2nccc2CN)nc(C)c1[N+](=O)[O-] ZINC001162591088 802372216 /nfs/dbraw/zinc/37/22/16/802372216.db2.gz MOFXGJJJKVYNTJ-UHFFFAOYSA-N 0 3 264.245 0.346 20 5 CCBDHN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(-n2cnc3c2CNCC3)c1 ZINC001164316144 802720575 /nfs/dbraw/zinc/72/05/75/802720575.db2.gz GEOAPMRMMPULLE-UHFFFAOYSA-N 0 3 295.686 0.713 20 5 CCBDHN O=[N+]([O-])c1cccc(N2CC[C@@H]3NCCO[C@H]3C2)n1 ZINC001165269661 802808314 /nfs/dbraw/zinc/80/83/14/802808314.db2.gz QRRVBXLDVDRPFA-UWVGGRQHSA-N 0 3 264.285 0.557 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC001215997965 803831814 /nfs/dbraw/zinc/83/18/14/803831814.db2.gz OOQFHUDVNBOMPF-IUCAKERBSA-N 0 3 279.300 0.626 20 5 CCBDHN O=[N+]([O-])c1c(F)cccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405244811 803870165 /nfs/dbraw/zinc/87/01/65/803870165.db2.gz ZAUMSVMLWSDVAK-VHSXEESVSA-N 0 3 281.287 0.989 20 5 CCBDHN NC(=O)C1(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254566432 808259934 /nfs/dbraw/zinc/25/99/34/808259934.db2.gz KCPDRCFZNGODSA-JTQLQIEISA-N 0 3 261.281 0.670 20 5 CCBDHN CN([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)S(=O)(=O)CCN ZINC001254571827 808261421 /nfs/dbraw/zinc/26/14/21/808261421.db2.gz CAFVSHJZDDBZGG-LBPRGKRZSA-N 0 3 299.352 0.282 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1C[C@H](O)[C@H](CO)C1)C2 ZINC001254592951 808264091 /nfs/dbraw/zinc/26/40/91/808264091.db2.gz HUCZBOOYMWEVRK-YUTCNCBUSA-N 0 3 278.308 0.347 20 5 CCBDHN O=C(C[C@@H]1CNCCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261493117 808996567 /nfs/dbraw/zinc/99/65/67/808996567.db2.gz KQECVICZOKYRFQ-CYBMUJFWSA-N 0 3 291.307 0.816 20 5 CCBDHN CN(CCN1CCCC1)c1c([N+](=O)[O-])cnn1C ZINC001262358424 809290101 /nfs/dbraw/zinc/29/01/01/809290101.db2.gz QXWKDCHCYJYRKT-UHFFFAOYSA-N 0 3 253.306 0.860 20 5 CCBDHN COc1ncc([N+](=O)[O-])cc1NC(=N)N1CCN(C)CC1 ZINC001168736382 818546541 /nfs/dbraw/zinc/54/65/41/818546541.db2.gz GDTWEVINWKPWOH-UHFFFAOYSA-N 0 3 294.315 0.592 20 5 CCBDHN CN(c1nccc(Cl)c1[N+](=O)[O-])S(=O)(=O)CCN ZINC001156231640 836041492 /nfs/dbraw/zinc/04/14/92/836041492.db2.gz KKMRPNBMOBKJSQ-UHFFFAOYSA-N 0 3 294.720 0.368 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(CCCO)CC2)C1 ZINC001169010927 836099452 /nfs/dbraw/zinc/09/94/52/836099452.db2.gz GHBPWRLLFHQJSO-CHWSQXEVSA-N 0 3 271.361 0.432 20 5 CCBDHN C[C@@H](N)c1ccn(-c2nccc(C(N)=O)c2[N+](=O)[O-])n1 ZINC001169231843 836167131 /nfs/dbraw/zinc/16/71/31/836167131.db2.gz USSKYZNPVNORTP-ZCFIWIBFSA-N 0 3 276.256 0.294 20 5 CCBDHN C=CC(=O)NCCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169807039 836449325 /nfs/dbraw/zinc/44/93/25/836449325.db2.gz ILXKWUQBASMADS-UHFFFAOYSA-N 0 3 276.296 0.912 20 5 CCBDHN COCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835938 836936199 /nfs/dbraw/zinc/93/61/99/836936199.db2.gz URZYKSULXWENIN-CHWSQXEVSA-N 0 3 299.371 0.613 20 5 CCBDHN Cc1nc(N[C@@H](C)[C@@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001159502923 839344986 /nfs/dbraw/zinc/34/49/86/839344986.db2.gz QTDBAIFRYABAOR-WPRPVWTQSA-N 0 3 267.289 0.482 20 5 CCBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@H](CO)[C@H](CO)C2)c1 ZINC001197154783 846860352 /nfs/dbraw/zinc/86/03/52/846860352.db2.gz FODGUUJJSKTRJZ-SCRDCRAPSA-N 0 3 296.323 0.161 20 5 CCBDHN CN1CCNC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000686116618 849059397 /nfs/dbraw/zinc/05/93/97/849059397.db2.gz HGQQULIKJGXMCV-LLVKDONJSA-N 0 3 264.285 0.437 20 5 CCBDHN Cn1cc(CN[C@@H](CO)C2CCOCC2)c([N+](=O)[O-])n1 ZINC001307735376 908336968 /nfs/dbraw/zinc/33/69/68/908336968.db2.gz UMSMIDQASDQSJU-NSHDSACASA-N 0 3 284.316 0.205 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@H]1CCO ZINC000090525959 349439107 /nfs/dbraw/zinc/43/91/07/349439107.db2.gz IOHSHPGBYUCTKT-LBPRGKRZSA-N 0 3 295.339 0.993 20 5 CCBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000104220189 349712731 /nfs/dbraw/zinc/71/27/31/349712731.db2.gz BHHVKPMGPPBNTP-VIFPVBQESA-N 0 3 287.341 0.919 20 5 CCBDHN NC(=O)C[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000358271723 232072802 /nfs/dbraw/zinc/07/28/02/232072802.db2.gz GJKZXPKXGYKNEZ-JTQLQIEISA-N 0 3 281.316 0.521 20 5 CCBDHN C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000602809416 362810264 /nfs/dbraw/zinc/81/02/64/362810264.db2.gz HFHJSHNYBUCSKZ-RKDXNWHRSA-N 0 3 254.290 0.843 20 5 CCBDHN COCCOCCN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602834669 362826728 /nfs/dbraw/zinc/82/67/28/362826728.db2.gz VYBGAQKEYWVHAB-UHFFFAOYSA-N 0 3 286.332 0.695 20 5 CCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CC2)CC1 ZINC000028506832 348106350 /nfs/dbraw/zinc/10/63/50/348106350.db2.gz BIFJKORWJOPVCO-UHFFFAOYSA-N 0 3 293.327 0.534 20 5 CCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCOC1CNC1 ZINC000349030859 137384573 /nfs/dbraw/zinc/38/45/73/137384573.db2.gz TXPCMPFXIJTGBC-UHFFFAOYSA-N 0 3 293.323 0.932 20 5 CCBDHN O=C(CN1CCNCC1)NCc1ccccc1[N+](=O)[O-] ZINC000050015935 348463582 /nfs/dbraw/zinc/46/35/82/348463582.db2.gz DDNNPGCZUVGDTJ-UHFFFAOYSA-N 0 3 278.312 0.116 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNC1CC1 ZINC000054266966 348547327 /nfs/dbraw/zinc/54/73/27/348547327.db2.gz VPHFMHSNSYAKDB-UHFFFAOYSA-N 0 3 299.352 0.934 20 5 CCBDHN CC[NH2+]CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000054266376 348547380 /nfs/dbraw/zinc/54/73/80/348547380.db2.gz WJFCLJKRGHYKMB-UHFFFAOYSA-N 0 3 287.341 0.791 20 5 CCBDHN C[C@@H]1[C@H](CO)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000412098639 233058310 /nfs/dbraw/zinc/05/83/10/233058310.db2.gz VSCQQJCEDUTGPV-NEPJUHHUSA-N 0 3 295.339 0.849 20 5 CCBDHN COc1cc([N+](=O)[O-])ccc1OC[C@@H]1CNCCO1 ZINC000080745241 349227592 /nfs/dbraw/zinc/22/75/92/349227592.db2.gz WAEWYFYTZQTNHV-JTQLQIEISA-N 0 3 268.269 0.971 20 5 CCBDHN O=[N+]([O-])c1ccc(-c2ncn(C[C@@H]3CNCCO3)n2)cc1 ZINC000122454096 350065882 /nfs/dbraw/zinc/06/58/82/350065882.db2.gz UHDRAVJCHVDBRT-LBPRGKRZSA-N 0 3 289.295 0.842 20 5 CCBDHN CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000124294315 350094576 /nfs/dbraw/zinc/09/45/76/350094576.db2.gz ZRXWDHWRCWEBJI-GFCCVEGCSA-N 0 3 292.339 0.239 20 5 CCBDHN O=[N+]([O-])c1c(NC[C@H]2CNCCO2)nc2sccn21 ZINC000134267060 350359462 /nfs/dbraw/zinc/35/94/62/350359462.db2.gz IWIMOEYYTZMVCZ-SSDOTTSWSA-N 0 3 283.313 0.704 20 5 CCBDHN C[C@@H]1CCCCN1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000136025219 350412331 /nfs/dbraw/zinc/41/23/31/350412331.db2.gz ZRLHFGLUMUCVJV-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN C[C@@H]1CCCCN1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136025219 350412336 /nfs/dbraw/zinc/41/23/36/350412336.db2.gz ZRLHFGLUMUCVJV-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000157353479 350643907 /nfs/dbraw/zinc/64/39/07/350643907.db2.gz WZMXUKUPVIRHJJ-JTQLQIEISA-N 0 3 279.296 0.621 20 5 CCBDHN COCCN(C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000171127992 350888534 /nfs/dbraw/zinc/88/85/34/350888534.db2.gz SHBBFDKARNZSFF-UHFFFAOYSA-N 0 3 287.341 0.964 20 5 CCBDHN CN(C)C1(CN(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000187009710 351526966 /nfs/dbraw/zinc/52/69/66/351526966.db2.gz IEJBTTUFNVBUQD-UHFFFAOYSA-N 0 3 295.343 0.734 20 5 CCBDHN CO[C@H](CN)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000227361085 352047552 /nfs/dbraw/zinc/04/75/52/352047552.db2.gz NLGGBRMTBUKHME-LDYMZIIASA-N 0 3 267.285 0.746 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](O)[C@@H](C)C1 ZINC000229441869 352091365 /nfs/dbraw/zinc/09/13/65/352091365.db2.gz MOIKYOWZQORGOB-ONGXEEELSA-N 0 3 268.317 0.802 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CSCCN1 ZINC000603420633 363124129 /nfs/dbraw/zinc/12/41/29/363124129.db2.gz VHAGSHOIWJFIJG-VIFPVBQESA-N 0 3 268.342 0.837 20 5 CCBDHN CC[C@@H](C)[C@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000236932988 352228864 /nfs/dbraw/zinc/22/88/64/352228864.db2.gz SYCJGLQMNMYHKG-SCZZXKLOSA-N 0 3 269.305 0.281 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCS[C@@H]3COCC[C@H]32)n1 ZINC000246592846 352374452 /nfs/dbraw/zinc/37/44/52/352374452.db2.gz CTVLYKFXLBSVGY-GHMZBOCLSA-N 0 3 298.368 0.998 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268136023 352811461 /nfs/dbraw/zinc/81/14/61/352811461.db2.gz CLFBYYJFFPIOPF-XVKPBYJWSA-N 0 3 293.327 0.839 20 5 CCBDHN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000267903760 352797347 /nfs/dbraw/zinc/79/73/47/352797347.db2.gz AYHWLXGXGRUWRY-IONNQARKSA-N 0 3 293.327 0.981 20 5 CCBDHN CN(CCC(N)=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000286351585 353580005 /nfs/dbraw/zinc/58/00/05/353580005.db2.gz GZZIPHJUFUGBKC-NSHDSACASA-N 0 3 297.311 0.142 20 5 CCBDHN CN(C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301155559 354070888 /nfs/dbraw/zinc/07/08/88/354070888.db2.gz MYQHHKLPGVZQBT-MRVPVSSYSA-N 0 3 279.300 0.229 20 5 CCBDHN C[C@H]1CCC[C@@H](CO)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000305876460 354167390 /nfs/dbraw/zinc/16/73/90/354167390.db2.gz RFSCSQWQWCPQOT-AAEUAGOBSA-N 0 3 295.339 0.992 20 5 CCBDHN C[C@H]1COCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331432946 354573306 /nfs/dbraw/zinc/57/33/06/354573306.db2.gz DBCACKDWUAUUGF-ZYHUDNBSSA-N 0 3 284.316 0.121 20 5 CCBDHN CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])cnc2N)CCC1 ZINC000332422241 354668610 /nfs/dbraw/zinc/66/86/10/354668610.db2.gz CSHNJSRPBKTIRZ-UHFFFAOYSA-N 0 3 293.327 0.786 20 5 CCBDHN CCN(CCNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CC1 ZINC000338420996 355342977 /nfs/dbraw/zinc/34/29/77/355342977.db2.gz XHSNKSDXNHZIAQ-UHFFFAOYSA-N 0 3 293.327 0.985 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN(C)C2CC2)n1 ZINC000427834392 235382034 /nfs/dbraw/zinc/38/20/34/235382034.db2.gz XWPHFJYCCAAABX-UHFFFAOYSA-N 0 3 281.316 0.635 20 5 CCBDHN O=C(NCCN1CCCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000559379004 291082768 /nfs/dbraw/zinc/08/27/68/291082768.db2.gz LGZNSXVJEFAKRC-UHFFFAOYSA-N 0 3 281.316 0.924 20 5 CCBDHN CN(CCC(N)=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000353199619 356176597 /nfs/dbraw/zinc/17/65/97/356176597.db2.gz GUUNDASLXDTALO-SNVBAGLBSA-N 0 3 297.311 0.142 20 5 CCBDHN CC(C)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000360837136 138013204 /nfs/dbraw/zinc/01/32/04/138013204.db2.gz OKVKRQBRBOKIII-JTQLQIEISA-N 0 3 295.343 0.931 20 5 CCBDHN O=[N+]([O-])c1ccn(C2CCN([C@@H]3COC[C@H]3O)CC2)n1 ZINC000361382248 138033871 /nfs/dbraw/zinc/03/38/71/138033871.db2.gz UEGNQDGPRHZVHW-GHMZBOCLSA-N 0 3 282.300 0.188 20 5 CCBDHN CC1CCN(C[C@@H](O)CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000609449022 363496689 /nfs/dbraw/zinc/49/66/89/363496689.db2.gz IVSZNCVRFQRLLV-NSHDSACASA-N 0 3 297.359 0.833 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](CCO)C2)c1 ZINC000610368759 363553304 /nfs/dbraw/zinc/55/33/04/363553304.db2.gz KPGTXDGRSDAZCX-WCQYABFASA-N 0 3 298.343 0.247 20 5 CCBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)C2CC2)c1[N+](=O)[O-] ZINC000356285076 356740581 /nfs/dbraw/zinc/74/05/81/356740581.db2.gz UNXFCKOMXRZDPJ-UHFFFAOYSA-N 0 3 295.343 0.803 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@]1(O)CCN(C)C1 ZINC000359575593 356848774 /nfs/dbraw/zinc/84/87/74/356848774.db2.gz KSRSKSWYQBFJQK-GFCCVEGCSA-N 0 3 283.332 0.598 20 5 CCBDHN O=[N+]([O-])c1cnccc1NC[C@@H]1CCCN1CCCO ZINC000450598390 236098724 /nfs/dbraw/zinc/09/87/24/236098724.db2.gz QEKCSAQIFAHTIT-NSHDSACASA-N 0 3 280.328 0.670 20 5 CCBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])o1 ZINC000452779146 236260802 /nfs/dbraw/zinc/26/08/02/236260802.db2.gz ARUQJPLUNPRUID-JTQLQIEISA-N 0 3 297.311 0.764 20 5 CCBDHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567851718 358600681 /nfs/dbraw/zinc/60/06/81/358600681.db2.gz YSPZNSYQSSGPHV-MRVPVSSYSA-N 0 3 288.329 0.251 20 5 CCBDHN CN(C)CCN(C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000574171158 359035678 /nfs/dbraw/zinc/03/56/78/359035678.db2.gz QTLSNQBOXIXVTA-UHFFFAOYSA-N 0 3 267.289 0.036 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000588864203 359343377 /nfs/dbraw/zinc/34/33/77/359343377.db2.gz ADTKMTOMBSCATH-LBPRGKRZSA-N 0 3 295.339 0.566 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN(C)C ZINC000588864372 359343506 /nfs/dbraw/zinc/34/35/06/359343506.db2.gz FYKJQJCCBILYRH-SNVBAGLBSA-N 0 3 281.312 0.556 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CCOC1 ZINC000591756933 359653692 /nfs/dbraw/zinc/65/36/92/359653692.db2.gz HXTSAZBPHQCEQD-QWRGUYRKSA-N 0 3 282.296 0.713 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)CO ZINC000611185225 363675128 /nfs/dbraw/zinc/67/51/28/363675128.db2.gz RLUSNIMKWQGKHK-UHFFFAOYSA-N 0 3 269.301 0.459 20 5 CCBDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000611202117 363680415 /nfs/dbraw/zinc/68/04/15/363680415.db2.gz AQROCZHYZGXZRJ-SSDOTTSWSA-N 0 3 265.273 0.284 20 5 CCBDHN CC[C@H](CN1CCCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000611236557 363689976 /nfs/dbraw/zinc/68/99/76/363689976.db2.gz YHPDICLIVZGNEP-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])[nH]1 ZINC000592555571 359886240 /nfs/dbraw/zinc/88/62/40/359886240.db2.gz ZRWVLHDOLGBXLW-BQBZGAKWSA-N 0 3 256.237 0.353 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CCN1C ZINC000594302894 360270118 /nfs/dbraw/zinc/27/01/18/360270118.db2.gz VGRIYWDQACXALG-IUCAKERBSA-N 0 3 293.327 0.615 20 5 CCBDHN C[C@@]12COC[C@H]1CN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595759450 360644450 /nfs/dbraw/zinc/64/44/50/360644450.db2.gz QGJKFGZIACLKEF-ZYHUDNBSSA-N 0 3 266.301 0.760 20 5 CCBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1O ZINC000595745329 360638083 /nfs/dbraw/zinc/63/80/83/360638083.db2.gz RFCJNTYMEDOXEF-FOGDFJRCSA-N 0 3 298.343 0.101 20 5 CCBDHN O=[N+]([O-])c1cnc2c(c1)CN(C[C@H]1CNCCO1)CC2 ZINC000595894841 360694907 /nfs/dbraw/zinc/69/49/07/360694907.db2.gz ZKWMIPHVBQZTNL-GFCCVEGCSA-N 0 3 278.312 0.336 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000178724095 189140637 /nfs/dbraw/zinc/14/06/37/189140637.db2.gz SZZRZIMLJOEFQB-LLVKDONJSA-N 0 3 287.341 0.699 20 5 CCBDHN C[C@]1(F)CNCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596014623 360775069 /nfs/dbraw/zinc/77/50/69/360775069.db2.gz SLTYCBZWRCMLCP-NSHDSACASA-N 0 3 269.280 0.710 20 5 CCBDHN COc1ccc(CN[C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599010509 361554120 /nfs/dbraw/zinc/55/41/20/361554120.db2.gz AFJFFQZZRXNHSH-ZYHUDNBSSA-N 0 3 282.296 0.843 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](O)Cn1ccnn1 ZINC000459696497 249053893 /nfs/dbraw/zinc/05/38/93/249053893.db2.gz LKFVXPBPUXPSHA-ZDUSSCGKSA-N 0 3 291.311 0.645 20 5 CCBDHN NC(=O)NC(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000574684909 335039235 /nfs/dbraw/zinc/03/92/35/335039235.db2.gz UCPQDIDQDLTQMN-UHFFFAOYSA-N 0 3 266.257 0.269 20 5 CCBDHN C[C@H](O)CN(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000289382606 197320973 /nfs/dbraw/zinc/32/09/73/197320973.db2.gz CKZASEJXFPESGK-NSHDSACASA-N 0 3 284.312 0.649 20 5 CCBDHN CO[C@@H](C)CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000285672981 388795544 /nfs/dbraw/zinc/79/55/44/388795544.db2.gz MULVVOJIWKMJSB-JTQLQIEISA-N 0 3 269.301 0.723 20 5 CCBDHN C[C@H](O)CN(CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000289741337 388887586 /nfs/dbraw/zinc/88/75/86/388887586.db2.gz JRGPEYYQPTUXLA-NSHDSACASA-N 0 3 284.312 0.649 20 5 CCBDHN COC(=O)[C@@H](C)CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517815 389020391 /nfs/dbraw/zinc/02/03/91/389020391.db2.gz DMFAFCVTCAPAPB-JTQLQIEISA-N 0 3 297.311 0.497 20 5 CCBDHN CN(C)C[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000194685158 389101393 /nfs/dbraw/zinc/10/13/93/389101393.db2.gz VRAQARNMGOBMDJ-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000264183855 389310843 /nfs/dbraw/zinc/31/08/43/389310843.db2.gz ZQKDVOFCEVRBGS-ZETCQYMHSA-N 0 3 252.278 0.331 20 5 CCBDHN C[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCN1C ZINC000347884997 389360535 /nfs/dbraw/zinc/36/05/35/389360535.db2.gz YOCXIARGIGSPQN-NXEZZACHSA-N 0 3 290.327 0.954 20 5 CCBDHN CN1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000273706466 389477276 /nfs/dbraw/zinc/47/72/76/389477276.db2.gz DNIJVGKVIJEVTG-KOLCDFICSA-N 0 3 263.301 0.915 20 5 CCBDHN O=C(COC1CNC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000429672764 389763903 /nfs/dbraw/zinc/76/39/03/389763903.db2.gz OXHYLANXOWERLW-UHFFFAOYSA-N 0 3 265.269 0.199 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCOC1 ZINC000352185680 389767500 /nfs/dbraw/zinc/76/75/00/389767500.db2.gz FMCOIQYSEBPKFV-JTQLQIEISA-N 0 3 254.290 0.902 20 5 CCBDHN CNCC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000429966044 389777626 /nfs/dbraw/zinc/77/76/26/389777626.db2.gz DPPHZPVCWYFPTF-UHFFFAOYSA-N 0 3 253.258 0.439 20 5 CCBDHN C[C@H]1[C@@H](CO)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000488758917 390096057 /nfs/dbraw/zinc/09/60/57/390096057.db2.gz BZNSLWIPVSPJRJ-WDEREUQCSA-N 0 3 281.312 0.459 20 5 CCBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000522188879 390628561 /nfs/dbraw/zinc/62/85/61/390628561.db2.gz LUHVBEJZPCNKAA-UHFFFAOYSA-N 0 3 254.290 0.615 20 5 CCBDHN Cc1n[nH]c(C(=O)NC[C@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000523353882 390634725 /nfs/dbraw/zinc/63/47/25/390634725.db2.gz ARMLQNJNMGCNHX-QMMMGPOBSA-N 0 3 281.316 0.840 20 5 CCBDHN C[C@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000524774492 390654452 /nfs/dbraw/zinc/65/44/52/390654452.db2.gz LACFTAQDWYCIGQ-VIFPVBQESA-N 0 3 266.301 0.995 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCC[C@H]2F)c1 ZINC000572357328 390779383 /nfs/dbraw/zinc/77/93/83/390779383.db2.gz PBAJGBBBJLUOPO-MXWKQRLJSA-N 0 3 272.280 0.632 20 5 CCBDHN C[C@H]1C[C@H](O)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341756831 130024681 /nfs/dbraw/zinc/02/46/81/130024681.db2.gz VKZDFFDOKCMRLB-ONGXEEELSA-N 0 3 267.285 0.212 20 5 CCBDHN C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000237492061 131036522 /nfs/dbraw/zinc/03/65/22/131036522.db2.gz UIWACULYUZCSQI-RQJHMYQMSA-N 0 3 253.262 0.140 20 5 CCBDHN NC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000237792604 131057593 /nfs/dbraw/zinc/05/75/93/131057593.db2.gz HRBCOHUVNKAIFL-UHFFFAOYSA-N 0 3 264.285 0.614 20 5 CCBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000247487567 131103619 /nfs/dbraw/zinc/10/36/19/131103619.db2.gz UASFMSMQLNYUDX-WDEREUQCSA-N 0 3 295.343 0.590 20 5 CCBDHN COCCN1CCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132275445 397413695 /nfs/dbraw/zinc/41/36/95/397413695.db2.gz FTBHIYPLALQFQB-VIFPVBQESA-N 0 3 297.315 0.159 20 5 CCBDHN C[C@@H]1[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)CCN1C ZINC000357028145 144051589 /nfs/dbraw/zinc/05/15/89/144051589.db2.gz BNLVPGQMYVTECN-MNOVXSKESA-N 0 3 267.333 0.816 20 5 CCBDHN CN(CCN1CCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357257793 144075476 /nfs/dbraw/zinc/07/54/76/144075476.db2.gz CNCPAOUNMXUXMH-UHFFFAOYSA-N 0 3 293.327 0.621 20 5 CCBDHN Cc1cccc(C(=O)NC[C@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000358051665 144145535 /nfs/dbraw/zinc/14/55/35/144145535.db2.gz RKBFAQZHPCGIDV-CQSZACIVSA-N 0 3 293.323 0.700 20 5 CCBDHN Cc1c(C(=O)NC[C@@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000358068991 144149473 /nfs/dbraw/zinc/14/94/73/144149473.db2.gz SENFPRWUVIUZPK-AWEZNQCLSA-N 0 3 293.323 0.700 20 5 CCBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)CN1 ZINC000368159298 144210174 /nfs/dbraw/zinc/21/01/74/144210174.db2.gz FCMXYUZRZFLVMC-QWRGUYRKSA-N 0 3 281.287 0.954 20 5 CCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)C12CCCN1CCC2 ZINC000368675653 144239638 /nfs/dbraw/zinc/23/96/38/144239638.db2.gz MNEFKIKSIICLBJ-UHFFFAOYSA-N 0 3 293.327 0.536 20 5 CCBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000369811378 144280137 /nfs/dbraw/zinc/28/01/37/144280137.db2.gz QXUIGYIDRXZZQO-GFCCVEGCSA-N 0 3 298.343 0.653 20 5 CCBDHN COCCN1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548413688 286034153 /nfs/dbraw/zinc/03/41/53/286034153.db2.gz JFMMOENIPQPIEU-UHFFFAOYSA-N 0 3 297.315 0.159 20 5 CCBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000548524002 286045713 /nfs/dbraw/zinc/04/57/13/286045713.db2.gz NMSCMBSAGXYNGK-VIFPVBQESA-N 0 3 295.343 0.952 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000548498379 286043722 /nfs/dbraw/zinc/04/37/22/286043722.db2.gz LTLIUPSADDMBAK-VIFPVBQESA-N 0 3 281.316 0.400 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548712564 286060995 /nfs/dbraw/zinc/06/09/95/286060995.db2.gz PWKGZJYHPIUFFA-SECBINFHSA-N 0 3 293.327 0.616 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548962745 286081947 /nfs/dbraw/zinc/08/19/47/286081947.db2.gz WYQWBONHSCQCPK-GMSGAONNSA-N 0 3 279.300 0.530 20 5 CCBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284526699 196076948 /nfs/dbraw/zinc/07/69/48/196076948.db2.gz WLFIHRITLCVSHH-UHFFFAOYSA-N 0 3 284.291 0.950 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C)n1 ZINC000191835169 227189658 /nfs/dbraw/zinc/18/96/58/227189658.db2.gz LSHOSVLIVBUIFA-UHFFFAOYSA-N 0 3 269.305 0.445 20 5 CCBDHN NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040421899 279621161 /nfs/dbraw/zinc/62/11/61/279621161.db2.gz IDMACBKLMNUYJR-UHFFFAOYSA-N 0 3 264.285 0.202 20 5 CCBDHN C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086471441 297078405 /nfs/dbraw/zinc/07/84/05/297078405.db2.gz MQZCEDHWXIXNES-BDAKNGLRSA-N 0 3 278.312 0.880 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420433727 301694787 /nfs/dbraw/zinc/69/47/87/301694787.db2.gz DDZNREMFKLBOCR-RKDXNWHRSA-N 0 3 287.341 0.917 20 5 CCBDHN CCN1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000583221119 329377814 /nfs/dbraw/zinc/37/78/14/329377814.db2.gz RYQAPOFMCBSATQ-UHFFFAOYSA-N 0 3 293.327 0.616 20 5 CCBDHN Cc1cc(S(=O)(=O)NC2CNC2)ccc1[N+](=O)[O-] ZINC000178943762 335463506 /nfs/dbraw/zinc/46/35/06/335463506.db2.gz IEJHZCFKJJKMFI-UHFFFAOYSA-N 0 3 271.298 0.153 20 5 CCBDHN C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381706193 336071400 /nfs/dbraw/zinc/07/14/00/336071400.db2.gz HUKDQRCSNZFAOS-JGVFFNPUSA-N 0 3 273.314 0.609 20 5 CCBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451626024 534094734 /nfs/dbraw/zinc/09/47/34/534094734.db2.gz RCVVOVZKIRRGEX-KPXOXKRLSA-N 0 3 289.291 0.860 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](CO)C2)c1 ZINC000157398435 527391765 /nfs/dbraw/zinc/39/17/65/527391765.db2.gz WWZSSYLAFWGFKK-AAEUAGOBSA-N 0 3 296.323 0.649 20 5 CCBDHN CN(C)CCOCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000345935551 535901050 /nfs/dbraw/zinc/90/10/50/535901050.db2.gz PUTRHQCCQIXYNZ-UHFFFAOYSA-N 0 3 287.341 0.964 20 5 CCBDHN COC(=O)c1cc(NC(=O)C2(N)CC2)cc([N+](=O)[O-])c1 ZINC000237184584 536527872 /nfs/dbraw/zinc/52/78/72/536527872.db2.gz RFXWSBGHXTWLJV-UHFFFAOYSA-N 0 3 279.252 0.811 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)N ZINC000261722994 536955029 /nfs/dbraw/zinc/95/50/29/536955029.db2.gz FHIPBXWUQSVZEL-SSDOTTSWSA-N 0 3 253.258 0.567 20 5 CCBDHN COC(=O)c1cnc(NC[C@H](O)CN(C)C)c([N+](=O)[O-])c1 ZINC000790100174 581176920 /nfs/dbraw/zinc/17/69/20/581176920.db2.gz FCBWJEWYZANTSX-VIFPVBQESA-N 0 3 298.299 0.111 20 5 CCBDHN C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCCCC1 ZINC000772909385 581897958 /nfs/dbraw/zinc/89/79/58/581897958.db2.gz IXPIIEVGYALBRT-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN CS(=O)(=O)[C@H]1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905134324 617183820 /nfs/dbraw/zinc/18/38/20/617183820.db2.gz TXMHSWYOBJRZIU-BDAKNGLRSA-N 0 3 250.320 0.209 20 5 CCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)CO ZINC000916572342 617217614 /nfs/dbraw/zinc/21/76/14/617217614.db2.gz CEXGLZGSKVKACK-UHFFFAOYSA-N 0 3 297.311 0.902 20 5 CCBDHN CC(=O)N[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1CCCC1 ZINC000813104726 613950026 /nfs/dbraw/zinc/95/00/26/613950026.db2.gz QUWJTOXHKHFTOI-GZMMTYOYSA-N 0 3 272.301 0.890 20 5 CCBDHN CC(C)(CCC(=O)N[C@H](CO)CN1CCCC1)[N+](=O)[O-] ZINC000879992782 614081586 /nfs/dbraw/zinc/08/15/86/614081586.db2.gz OQUSRMRTWHNQOY-NSHDSACASA-N 0 3 287.360 0.395 20 5 CCBDHN CC(C)([NH3+])CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735671027 614163110 /nfs/dbraw/zinc/16/31/10/614163110.db2.gz JTRSLAYJIFKUNQ-UHFFFAOYSA-N 0 3 277.288 0.924 20 5 CCBDHN CC(C)([NH3+])CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735671027 614163112 /nfs/dbraw/zinc/16/31/12/614163112.db2.gz JTRSLAYJIFKUNQ-UHFFFAOYSA-N 0 3 277.288 0.924 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000853625090 615925631 /nfs/dbraw/zinc/92/56/31/615925631.db2.gz PHERGZJHCGFSJW-VIFPVBQESA-N 0 3 279.300 0.577 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000912606441 616101771 /nfs/dbraw/zinc/10/17/71/616101771.db2.gz DGBLHEDJCXCDTH-UHFFFAOYSA-N 0 3 299.302 0.730 20 5 CCBDHN COCCN1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000892014687 616327947 /nfs/dbraw/zinc/32/79/47/616327947.db2.gz YMFNSZBKGOWRSF-UHFFFAOYSA-N 0 3 283.332 0.851 20 5 CCBDHN CNC(=O)c1ccc(N2CCN3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000599083407 616910180 /nfs/dbraw/zinc/91/01/80/616910180.db2.gz KWHJSIDRACQYRK-NSHDSACASA-N 0 3 290.323 0.849 20 5 CCBDHN C[NH2+]CC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763952 616958995 /nfs/dbraw/zinc/95/89/95/616958995.db2.gz BQPHSQFJBOCQNH-UHFFFAOYSA-N 0 3 289.238 0.902 20 5 CCBDHN CC(COC(=O)[C@H]1CCC[C@H](C(N)=O)C1)[N+](=O)[O-] ZINC000813103327 624647420 /nfs/dbraw/zinc/64/74/20/624647420.db2.gz OIIAAXDERVSJDX-VGMNWLOBSA-N 0 3 258.274 0.487 20 5 CCBDHN O=[N+]([O-])CCNC[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000905539431 634873166 /nfs/dbraw/zinc/87/31/66/634873166.db2.gz UGIWSWHZUHRILH-JOCQHMNTSA-N 0 3 250.298 0.945 20 5 CCBDHN COC[C@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229172252 637102137 /nfs/dbraw/zinc/10/21/37/637102137.db2.gz GWNNARMPAMFTGB-CMPLNLGQSA-N 0 3 270.285 0.225 20 5 CCBDHN Cc1nccc(CCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000842802329 640234117 /nfs/dbraw/zinc/23/41/17/640234117.db2.gz VNWGSYYGYVUUBT-QMMMGPOBSA-N 0 3 253.258 0.926 20 5 CCBDHN CC(COC(=O)c1c(Br)nnn1C)[N+](=O)[O-] ZINC000813102922 641022152 /nfs/dbraw/zinc/02/21/52/641022152.db2.gz LRNWCTGJEKCQAQ-SCSAIBSYSA-N 0 3 293.077 0.400 20 5 CCBDHN CC(COC(=O)[C@@H]1Cc2ccccc2C(=O)O1)[N+](=O)[O-] ZINC000813104282 641022384 /nfs/dbraw/zinc/02/23/84/641022384.db2.gz LOFLNEXAIJAEMU-KWQFWETISA-N 0 3 279.248 0.977 20 5 CCBDHN CC(COC(=O)c1cccc2c1oc(=O)n2C)[N+](=O)[O-] ZINC000813105652 641022712 /nfs/dbraw/zinc/02/27/12/641022712.db2.gz RGEDMZKUBPOGGO-SSDOTTSWSA-N 0 3 280.236 0.954 20 5 CCBDHN CC(COC(=O)[C@H]1CCc2nnn(C)c2C1)[N+](=O)[O-] ZINC000813114903 641025026 /nfs/dbraw/zinc/02/50/26/641025026.db2.gz XKHCNMYYIOHRJI-SFYZADRCSA-N 0 3 268.273 0.128 20 5 CCBDHN O=C(NCCN1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823974164 641796164 /nfs/dbraw/zinc/79/61/64/641796164.db2.gz GCRFQWGZFZFQHC-ZDUSSCGKSA-N 0 3 293.323 0.840 20 5 CCBDHN CC(COC(=O)[C@@]1(c2ccccc2)CNC(=O)C1)[N+](=O)[O-] ZINC000847714839 643549374 /nfs/dbraw/zinc/54/93/74/643549374.db2.gz ZFYQOUVBKPDDPW-QMTHXVAHSA-N 0 3 292.291 0.653 20 5 CCBDHN COc1cncc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000850198183 643785485 /nfs/dbraw/zinc/78/54/85/643785485.db2.gz CITUHMMELJEMTD-UHFFFAOYSA-N 0 3 277.284 0.985 20 5 CCBDHN Cc1noc(COC(=O)C2CCN(C)C2=O)c1[N+](=O)[O-] ZINC000853909784 644158725 /nfs/dbraw/zinc/15/87/25/644158725.db2.gz QXGRKAXCELIGKD-ZETCQYMHSA-N 0 3 283.240 0.413 20 5 CCBDHN Nc1ccc(NCCN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000858868769 644655527 /nfs/dbraw/zinc/65/55/27/644655527.db2.gz QBFAVKGPCWKTDX-JTQLQIEISA-N 0 3 266.301 0.656 20 5 CCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(CCCF)CC1 ZINC000862115232 644976271 /nfs/dbraw/zinc/97/62/71/644976271.db2.gz VODYCXOEFJUQIG-NXEZZACHSA-N 0 3 259.281 0.155 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865998992 645456673 /nfs/dbraw/zinc/45/66/73/645456673.db2.gz GRSWVXXTHNCNJN-VIFPVBQESA-N 0 3 283.332 0.585 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874845563 646489921 /nfs/dbraw/zinc/48/99/21/646489921.db2.gz VZXLMVRFUIPNKH-ZJUUUORDSA-N 0 3 293.327 0.935 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874845563 646489928 /nfs/dbraw/zinc/48/99/28/646489928.db2.gz VZXLMVRFUIPNKH-ZJUUUORDSA-N 0 3 293.327 0.935 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874845557 646490410 /nfs/dbraw/zinc/49/04/10/646490410.db2.gz VZXLMVRFUIPNKH-NXEZZACHSA-N 0 3 293.327 0.935 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874845557 646490413 /nfs/dbraw/zinc/49/04/13/646490413.db2.gz VZXLMVRFUIPNKH-NXEZZACHSA-N 0 3 293.327 0.935 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCN2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000879693993 647095799 /nfs/dbraw/zinc/09/57/99/647095799.db2.gz MMDHRBUGKGBLAX-TXEJJXNPSA-N 0 3 296.323 0.506 20 5 CCBDHN Cc1nc(NCCN(C)CCO)ccc1[N+](=O)[O-] ZINC000884824924 647808203 /nfs/dbraw/zinc/80/82/03/647808203.db2.gz VYKHTWHSJYTQDA-UHFFFAOYSA-N 0 3 254.290 0.634 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1C ZINC000928454692 648640228 /nfs/dbraw/zinc/64/02/28/648640228.db2.gz RKAFQCKHSCLRSR-RKDXNWHRSA-N 0 3 266.301 0.756 20 5 CCBDHN C[C@H](O)[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000930440491 648862218 /nfs/dbraw/zinc/86/22/18/648862218.db2.gz NPIYYWAWYRYQJC-GWCFXTLKSA-N 0 3 268.313 0.811 20 5 CCBDHN CCNC(=O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001120657651 798905795 /nfs/dbraw/zinc/90/57/95/798905795.db2.gz BJZIACQEUFKSQC-LLVKDONJSA-N 0 3 297.311 0.060 20 5 CCBDHN COc1cc(-n2nc(CN)cc2C)ncc1[N+](=O)[O-] ZINC001156039441 801099292 /nfs/dbraw/zinc/09/92/92/801099292.db2.gz RNNSOZBBHQTUMH-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN CN1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001156590522 801192382 /nfs/dbraw/zinc/19/23/82/801192382.db2.gz MWUNTMFVTNCINO-NSHDSACASA-N 0 3 295.343 0.638 20 5 CCBDHN Cc1c(F)cnc(N(C)S(=O)(=O)CCN)c1[N+](=O)[O-] ZINC001164287838 802707884 /nfs/dbraw/zinc/70/78/84/802707884.db2.gz WQRFUJVCZOLKKC-UHFFFAOYSA-N 0 3 292.292 0.162 20 5 CCBDHN CCC(CO)(CO)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167971699 813860755 /nfs/dbraw/zinc/86/07/55/813860755.db2.gz MYDZUEGXSGQHQS-UHFFFAOYSA-N 0 3 281.312 0.743 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001168342256 815101903 /nfs/dbraw/zinc/10/19/03/815101903.db2.gz YJDQEOFLSSSTMV-UHFFFAOYSA-N 0 3 296.327 0.173 20 5 CCBDHN COc1cc([N+](=O)[O-])cnc1NC(=N)N1CCN(C)CC1 ZINC001168735538 818535947 /nfs/dbraw/zinc/53/59/47/818535947.db2.gz AIKOFSGQNGSGSR-UHFFFAOYSA-N 0 3 294.315 0.592 20 5 CCBDHN O=c1[nH][n-]cc1CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967852 836088398 /nfs/dbraw/zinc/08/83/98/836088398.db2.gz TXSPMWSXVJVRJE-VWYCJHECSA-N 0 3 268.317 0.533 20 5 CCBDHN CCOC(=O)C1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037273 836110786 /nfs/dbraw/zinc/11/07/86/836110786.db2.gz RTKGJFZCTXNRJS-GXSJLCMTSA-N 0 3 256.302 0.927 20 5 CCBDHN CCOC(=O)c1ccc(-n2nncc2CN)c([N+](=O)[O-])c1 ZINC001169311854 836190630 /nfs/dbraw/zinc/19/06/30/836190630.db2.gz GCVXUGZYXRKOQL-UHFFFAOYSA-N 0 3 291.267 0.811 20 5 CCBDHN NCc1cnnn1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001169310962 836210231 /nfs/dbraw/zinc/21/02/31/836210231.db2.gz PQQHZOBZAXKEAP-UHFFFAOYSA-N 0 3 271.240 0.577 20 5 CCBDHN COc1ccc(N[C@@H](C)[C@H]2CNCCO2)nc1[N+](=O)[O-] ZINC001170563141 838111213 /nfs/dbraw/zinc/11/12/13/838111213.db2.gz KQKULLRHTCVIGN-WCBMZHEXSA-N 0 3 282.300 0.787 20 5 CCBDHN C[C@H](Nc1cccnc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170566871 838128151 /nfs/dbraw/zinc/12/81/51/838128151.db2.gz HXWRHOHWBZGQTB-WCBMZHEXSA-N 0 3 252.274 0.779 20 5 CCBDHN COc1cnc(N[C@@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001159501492 839336872 /nfs/dbraw/zinc/33/68/72/839336872.db2.gz ZKSXYUQEXUWDRE-GZMMTYOYSA-N 0 3 282.300 0.787 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1C ZINC000719497423 848848771 /nfs/dbraw/zinc/84/87/71/848848771.db2.gz SKDHZPFVKVXLJR-WPRPVWTQSA-N 0 3 278.312 0.999 20 5 CCBDHN Cc1nc(N(C)CCN(C)CCO)ccc1[N+](=O)[O-] ZINC000691343575 897533061 /nfs/dbraw/zinc/53/30/61/897533061.db2.gz OZRYRPGLJFXYDC-UHFFFAOYSA-N 0 3 268.317 0.659 20 5 CCBDHN Cc1cncc([N+](=O)[O-])c1NCCN(C)CCO ZINC001333991515 919303222 /nfs/dbraw/zinc/30/32/22/919303222.db2.gz FFSLSPZCSPNYPS-UHFFFAOYSA-N 0 3 254.290 0.056 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCCCN1C ZINC001340854597 922243687 /nfs/dbraw/zinc/24/36/87/922243687.db2.gz AZJHPAHUXZUWFZ-LLVKDONJSA-N 0 3 295.343 0.700 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC001340922969 922276365 /nfs/dbraw/zinc/27/63/65/922276365.db2.gz OIURWMNGPLZAPT-DTWKUNHWSA-N 0 3 281.316 0.309 20 5 CCBDHN CC[C@H](C[N+](=O)[O-])OC(=O)C1CCCN(C2CC2)C1=O ZINC001345002904 923757804 /nfs/dbraw/zinc/75/78/04/923757804.db2.gz ZNLUJIIBNRXUHU-GHMZBOCLSA-N 0 3 284.312 0.986 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1CO ZINC000090517426 349437679 /nfs/dbraw/zinc/43/76/79/349437679.db2.gz XQFZLIQXQUKHLE-GFCCVEGCSA-N 0 3 281.312 0.603 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)C1CC1 ZINC000090551963 349438711 /nfs/dbraw/zinc/43/87/11/349438711.db2.gz MHXJYHGNTXIWAY-LBPRGKRZSA-N 0 3 281.312 0.459 20 5 CCBDHN C[C@]1(CO)CN(CCn2ccc([N+](=O)[O-])n2)C[C@@]1(C)CO ZINC000599622703 361762084 /nfs/dbraw/zinc/76/20/84/361762084.db2.gz IJLPOHVXRHMXBM-BETUJISGSA-N 0 3 298.343 0.104 20 5 CCBDHN CCc1n[n-]c(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000337629790 214187480 /nfs/dbraw/zinc/18/74/80/214187480.db2.gz ULTUYMOSRZXXFX-UHFFFAOYSA-N 0 3 267.289 0.316 20 5 CCBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCCO1 ZINC000441233493 529961966 /nfs/dbraw/zinc/96/19/66/529961966.db2.gz UJLUNZPBQVEDEW-STQMWFEESA-N 0 3 298.343 0.653 20 5 CCBDHN COCC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304301485 232008426 /nfs/dbraw/zinc/00/84/26/232008426.db2.gz IAWMGKQNAMNDID-CYBMUJFWSA-N 0 3 298.343 0.511 20 5 CCBDHN CC(C)[C@@H](CCO)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602554812 362677327 /nfs/dbraw/zinc/67/73/27/362677327.db2.gz IOXCKVRXRCDXDH-SNVBAGLBSA-N 0 3 256.306 0.825 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@]2(CNC(=O)C2)C1 ZINC000602821417 362819106 /nfs/dbraw/zinc/81/91/06/362819106.db2.gz MAVWVAAEJLAITJ-ZDUSSCGKSA-N 0 3 293.327 0.312 20 5 CCBDHN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CNCCO2)s1 ZINC000261848965 137022624 /nfs/dbraw/zinc/02/26/24/137022624.db2.gz WNYGSCDHYTVINS-ZETCQYMHSA-N 0 3 295.324 1.000 20 5 CCBDHN NC1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000262226565 137032128 /nfs/dbraw/zinc/03/21/28/137032128.db2.gz GFVKTCNPXUNOOT-UHFFFAOYSA-N 0 3 261.241 0.901 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCCC2)c1 ZINC000000331816 347944969 /nfs/dbraw/zinc/94/49/69/347944969.db2.gz WUWJLRKMXAPCAY-LLVKDONJSA-N 0 3 254.290 0.638 20 5 CCBDHN C[C@@H](CO)N1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000345038342 137229645 /nfs/dbraw/zinc/22/96/45/137229645.db2.gz RQKQNFLZFSDZLX-NSHDSACASA-N 0 3 280.328 0.883 20 5 CCBDHN CN1CC[C@@]2(CCN(C(=O)c3c([N+](=O)[O-])cnn3C)C2)C1 ZINC000346275764 137276231 /nfs/dbraw/zinc/27/62/31/137276231.db2.gz UOBBUWULNDFTAR-CYBMUJFWSA-N 0 3 293.327 0.496 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CCCC1 ZINC000347040159 137316760 /nfs/dbraw/zinc/31/67/60/137316760.db2.gz UBLITEJRQNZHQQ-UHFFFAOYSA-N 0 3 267.289 0.154 20 5 CCBDHN COC[C@](C)(CO)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000602932605 362893399 /nfs/dbraw/zinc/89/33/99/362893399.db2.gz QKUSZUOOOCHYMH-ZDUSSCGKSA-N 0 3 284.312 0.961 20 5 CCBDHN C[C@@H](O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963687 362911130 /nfs/dbraw/zinc/91/11/30/362911130.db2.gz YLZSLFJEDNIABX-BXKDBHETSA-N 0 3 254.286 0.773 20 5 CCBDHN C[C@@H]1CNCCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054375130 348555509 /nfs/dbraw/zinc/55/55/09/348555509.db2.gz MCVGVEMHXKTRIF-MRVPVSSYSA-N 0 3 264.285 0.492 20 5 CCBDHN C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000066044960 348730744 /nfs/dbraw/zinc/73/07/44/348730744.db2.gz ASOKYFMZCJPFPK-LLVKDONJSA-N 0 3 295.343 0.782 20 5 CCBDHN CN(CCNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000066923987 348761152 /nfs/dbraw/zinc/76/11/52/348761152.db2.gz QTJKFLQASAHQTL-UHFFFAOYSA-N 0 3 267.289 0.002 20 5 CCBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)O ZINC000090549279 180001617 /nfs/dbraw/zinc/00/16/17/180001617.db2.gz MXPRDBJVRGGUAU-UHFFFAOYSA-N 0 3 283.328 0.849 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)c1csc([N+](=O)[O-])c1 ZINC000134256553 350358170 /nfs/dbraw/zinc/35/81/70/350358170.db2.gz SFZZUMDSURXEKM-MRVPVSSYSA-N 0 3 271.298 0.375 20 5 CCBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CNCCO1 ZINC000134274547 350359057 /nfs/dbraw/zinc/35/90/57/350359057.db2.gz SXJCFWGPIXNSCD-SECBINFHSA-N 0 3 269.305 0.520 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CNCCO1 ZINC000134269803 350359196 /nfs/dbraw/zinc/35/91/96/350359196.db2.gz SOBHOMFQWCNAOV-SNVBAGLBSA-N 0 3 252.274 0.699 20 5 CCBDHN COCCNCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135630945 350405454 /nfs/dbraw/zinc/40/54/54/350405454.db2.gz VAHQCBPRNNDENY-UHFFFAOYSA-N 0 3 281.312 0.490 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCS[C@H]3COCC[C@@H]32)n1 ZINC000135535977 350401403 /nfs/dbraw/zinc/40/14/03/350401403.db2.gz CTVLYKFXLBSVGY-QWRGUYRKSA-N 0 3 298.368 0.998 20 5 CCBDHN O=C(NC[C@@H]1CNCCO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000157368160 350644342 /nfs/dbraw/zinc/64/43/42/350644342.db2.gz LGGBWYCLASTEEJ-QMMMGPOBSA-N 0 3 299.714 0.966 20 5 CCBDHN CCOC(=O)CCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000175156987 351120770 /nfs/dbraw/zinc/12/07/70/351120770.db2.gz AQCGFKKVVFXDFF-UHFFFAOYSA-N 0 3 270.289 0.676 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2[C@@H]3CC[C@H]2CC(O)C3)n1 ZINC000176240119 351163754 /nfs/dbraw/zinc/16/37/54/351163754.db2.gz GUPUOSRXAODNMN-ZACCUICWSA-N 0 3 266.301 0.779 20 5 CCBDHN CC(C)(CC(N)=O)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186260711 351488445 /nfs/dbraw/zinc/48/84/45/351488445.db2.gz WULCNMOYEXMMQE-LLVKDONJSA-N 0 3 281.312 0.872 20 5 CCBDHN C[C@H](CN(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000222951319 351985064 /nfs/dbraw/zinc/98/50/64/351985064.db2.gz XKTIJEPEUQZTIP-SSDOTTSWSA-N 0 3 284.291 0.996 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]([C@H](C)O)C1 ZINC000228169354 352070355 /nfs/dbraw/zinc/07/03/55/352070355.db2.gz DEFQYQBDYOUCAE-GXSJLCMTSA-N 0 3 268.317 0.802 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCN1C ZINC000230697604 352117983 /nfs/dbraw/zinc/11/79/83/352117983.db2.gz RJNJOGDZDFVDMC-DTWKUNHWSA-N 0 3 293.327 0.785 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000228753240 352083700 /nfs/dbraw/zinc/08/37/00/352083700.db2.gz MTPOVYGPXQWYFR-NSHDSACASA-N 0 3 271.273 0.230 20 5 CCBDHN CN1CC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272513318 353070178 /nfs/dbraw/zinc/07/01/78/353070178.db2.gz PAHXGODQDFXVIM-ZYHUDNBSSA-N 0 3 293.327 0.344 20 5 CCBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000531627957 358474776 /nfs/dbraw/zinc/47/47/76/358474776.db2.gz JCVRIBAMKSEEEJ-UHFFFAOYSA-N 0 3 264.285 0.814 20 5 CCBDHN CN(CCOc1ccccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000157532239 188322911 /nfs/dbraw/zinc/32/29/11/188322911.db2.gz PLXFZXRMKHYPBI-UHFFFAOYSA-N 0 3 298.339 0.896 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)CCN1CCOCC1 ZINC000157994641 188351480 /nfs/dbraw/zinc/35/14/80/188351480.db2.gz RFNNQIGAIOSEPF-UHFFFAOYSA-N 0 3 283.332 0.055 20 5 CCBDHN C[C@@H](O)CN(CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289835760 353689180 /nfs/dbraw/zinc/68/91/80/353689180.db2.gz OUOZCAKQSNZABW-MFKMUULPSA-N 0 3 284.312 0.303 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](CO)CC2)n1 ZINC000293021068 353786885 /nfs/dbraw/zinc/78/68/85/353786885.db2.gz FMIZUNOCPAAIBE-NSHDSACASA-N 0 3 268.317 0.886 20 5 CCBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1CO ZINC000305197889 354138278 /nfs/dbraw/zinc/13/82/78/354138278.db2.gz USMWJTVUQPSPTN-PWSUYJOCSA-N 0 3 268.317 0.884 20 5 CCBDHN CC(C)CN(CCN(C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000340524804 355567047 /nfs/dbraw/zinc/56/70/47/355567047.db2.gz GLXKFZLZVGHETH-UHFFFAOYSA-N 0 3 297.359 0.838 20 5 CCBDHN Cc1nn(C)c(C(=O)NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000352860189 356098461 /nfs/dbraw/zinc/09/84/61/356098461.db2.gz HLNWAUNSOWPMQK-SSDOTTSWSA-N 0 3 269.305 0.317 20 5 CCBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000353491218 356237560 /nfs/dbraw/zinc/23/75/60/356237560.db2.gz SGTMNWAIQIICRL-MCIGGMRASA-N 0 3 296.323 0.790 20 5 CCBDHN COc1ccc(CC(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000609045755 363471673 /nfs/dbraw/zinc/47/16/73/363471673.db2.gz DAGBIMOJIGXDAW-UHFFFAOYSA-N 0 3 281.312 0.824 20 5 CCBDHN CC[C@H]1CN(C)CCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000619578719 366289507 /nfs/dbraw/zinc/28/95/07/366289507.db2.gz OHSFCFXLACBVAB-JTQLQIEISA-N 0 3 295.343 0.885 20 5 CCBDHN Nc1nc(N[C@@H]2CCN(CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000609384445 363493917 /nfs/dbraw/zinc/49/39/17/363493917.db2.gz VNSCCVKFJVTLFI-SECBINFHSA-N 0 3 278.316 0.694 20 5 CCBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000355218687 356610481 /nfs/dbraw/zinc/61/04/81/356610481.db2.gz YHQNKYYCDGTVAI-UHFFFAOYSA-N 0 3 298.343 0.584 20 5 CCBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000619787312 366352642 /nfs/dbraw/zinc/35/26/42/366352642.db2.gz PQWVBDNJTXZWEO-VIFPVBQESA-N 0 3 279.300 0.532 20 5 CCBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356467155 356763351 /nfs/dbraw/zinc/76/33/51/356763351.db2.gz YVCNTFVLUIJDNC-UHFFFAOYSA-N 0 3 295.343 0.885 20 5 CCBDHN COCCN(CCOC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000610657564 363592041 /nfs/dbraw/zinc/59/20/41/363592041.db2.gz ZJXNWEPEQOXJTG-UHFFFAOYSA-N 0 3 286.332 0.695 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]2C2CC2)c1 ZINC000453025490 236271511 /nfs/dbraw/zinc/27/15/11/236271511.db2.gz UEPMEHZWLUFKPM-VXGBXAGGSA-N 0 3 266.301 0.637 20 5 CCBDHN COC(=O)c1cnc(N[C@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000589101847 359358873 /nfs/dbraw/zinc/35/88/73/359358873.db2.gz NVKVEECRUJFRKV-VIFPVBQESA-N 0 3 298.299 0.111 20 5 CCBDHN CN(C)C[C@H](CO)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000589101437 359358999 /nfs/dbraw/zinc/35/89/99/359358999.db2.gz DLCLJEKFMQGCRQ-SSDOTTSWSA-N 0 3 274.708 0.978 20 5 CCBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860835 359343150 /nfs/dbraw/zinc/34/31/50/359343150.db2.gz LYPHIOASVQDBKO-KOLCDFICSA-N 0 3 294.311 0.204 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)[C@H]2C1 ZINC000590444236 359466882 /nfs/dbraw/zinc/46/68/82/359466882.db2.gz MWCYYKOHNAGPRG-SCZZXKLOSA-N 0 3 279.300 0.104 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000590445124 359467855 /nfs/dbraw/zinc/46/78/55/359467855.db2.gz QTSUSICHDCXNSB-DTWKUNHWSA-N 0 3 279.300 0.104 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000590445126 359468294 /nfs/dbraw/zinc/46/82/94/359468294.db2.gz QTSUSICHDCXNSB-IUCAKERBSA-N 0 3 279.300 0.104 20 5 CCBDHN CC1(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CNC1 ZINC000592482226 359851970 /nfs/dbraw/zinc/85/19/70/359851970.db2.gz FSCPRVLVSOJDEK-UHFFFAOYSA-N 0 3 291.307 0.862 20 5 CCBDHN Cn1nnnc1CCNCc1ccccc1[N+](=O)[O-] ZINC000611314664 363707569 /nfs/dbraw/zinc/70/75/69/363707569.db2.gz ZOHHEVMAWACMRL-UHFFFAOYSA-N 0 3 262.273 0.451 20 5 CCBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])s2)CC1=O ZINC000593486251 360096598 /nfs/dbraw/zinc/09/65/98/360096598.db2.gz RJBARNVMDCHEGR-UHFFFAOYSA-N 0 3 298.368 0.867 20 5 CCBDHN C[C@@]12COC[C@@H]1CN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595759447 360643988 /nfs/dbraw/zinc/64/39/88/360643988.db2.gz QGJKFGZIACLKEF-CMPLNLGQSA-N 0 3 266.301 0.760 20 5 CCBDHN C[N@@H+]1CC[C@](O)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596198031 360830022 /nfs/dbraw/zinc/83/00/22/360830022.db2.gz PFXUBSUVTMUQSE-NSHDSACASA-N 0 3 268.273 0.174 20 5 CCBDHN C[N@H+]1CC[C@](O)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596198031 360830027 /nfs/dbraw/zinc/83/00/27/360830027.db2.gz PFXUBSUVTMUQSE-NSHDSACASA-N 0 3 268.273 0.174 20 5 CCBDHN CNc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000563700376 291247358 /nfs/dbraw/zinc/24/73/58/291247358.db2.gz GVEGGWRKSGZJNL-JTQLQIEISA-N 0 3 294.311 0.355 20 5 CCBDHN CCCN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598342807 361392627 /nfs/dbraw/zinc/39/26/27/361392627.db2.gz NFDJLUOSBIPPBK-JTQLQIEISA-N 0 3 281.316 0.392 20 5 CCBDHN CC(C)[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1 ZINC000598572925 361447566 /nfs/dbraw/zinc/44/75/66/361447566.db2.gz NGNSMOMFZKDMPA-SECBINFHSA-N 0 3 281.316 0.398 20 5 CCBDHN Cc1nc(NCCN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599176280 361599922 /nfs/dbraw/zinc/59/99/22/361599922.db2.gz PDEATKGDLAMBEX-SNVBAGLBSA-N 0 3 266.301 0.199 20 5 CCBDHN O=[N+]([O-])c1ccc2[nH]c(=NCCN3CC[C@H](O)C3)[nH]c2c1 ZINC000599198919 361609322 /nfs/dbraw/zinc/60/93/22/361609322.db2.gz AYISAXIJEUGDSC-JTQLQIEISA-N 0 3 291.311 0.372 20 5 CCBDHN CO[C@]1(C)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000330994340 203449248 /nfs/dbraw/zinc/44/92/48/203449248.db2.gz NVUPVRBPUCEMOB-QWHCGFSZSA-N 0 3 298.343 0.653 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@](O)(CO)C2)cc1 ZINC000459646724 249049363 /nfs/dbraw/zinc/04/93/63/249049363.db2.gz NBEKYEATRAMSGV-CQSZACIVSA-N 0 3 296.323 0.793 20 5 CCBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000515059753 249118861 /nfs/dbraw/zinc/11/88/61/249118861.db2.gz SATHWZHJSGCUDR-ZETCQYMHSA-N 0 3 274.302 0.005 20 5 CCBDHN CC(C)[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000129967285 284778665 /nfs/dbraw/zinc/77/86/65/284778665.db2.gz SWDQSUHXPPUXHR-NSHDSACASA-N 0 3 283.332 0.494 20 5 CCBDHN COc1cc(C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000130783607 284792015 /nfs/dbraw/zinc/79/20/15/284792015.db2.gz ZZGTWRUSJYESBA-UHFFFAOYSA-N 0 3 267.285 0.895 20 5 CCBDHN CC(C)(C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000571083079 291790701 /nfs/dbraw/zinc/79/07/01/291790701.db2.gz AVDSYJDGHXQZJH-UHFFFAOYSA-N 0 3 274.302 0.005 20 5 CCBDHN C[C@@H](CN1CCCCC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000027765688 388825151 /nfs/dbraw/zinc/82/51/51/388825151.db2.gz NMZDCFJFWUEKHS-NSHDSACASA-N 0 3 295.343 0.782 20 5 CCBDHN Cc1nc(N2CCN3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000296625687 389010531 /nfs/dbraw/zinc/01/05/31/389010531.db2.gz VGGSZRJIFLNLDF-JTQLQIEISA-N 0 3 263.301 0.978 20 5 CCBDHN Nc1nc(N2CC[C@H](N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000301145022 389047656 /nfs/dbraw/zinc/04/76/56/389047656.db2.gz IZTBCYSLZCVRHI-VIFPVBQESA-N 0 3 278.316 0.642 20 5 CCBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193343739 389067044 /nfs/dbraw/zinc/06/70/44/389067044.db2.gz SXFZMTPHEQVJPB-UHFFFAOYSA-N 0 3 293.370 0.934 20 5 CCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]CC1CC1 ZINC000116922648 389134952 /nfs/dbraw/zinc/13/49/52/389134952.db2.gz VGNVLRHCNSAAPT-UHFFFAOYSA-N 0 3 299.352 0.873 20 5 CCBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](N(C)C)[C@@H](O)C2)n1 ZINC000359953341 389186644 /nfs/dbraw/zinc/18/66/44/389186644.db2.gz WAGZXDVTOHVIRN-MNOVXSKESA-N 0 3 280.328 0.718 20 5 CCBDHN C[C@H](O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000136330737 389265843 /nfs/dbraw/zinc/26/58/43/389265843.db2.gz ACBHTTQVTCMBDE-QWRGUYRKSA-N 0 3 268.317 0.884 20 5 CCBDHN CCc1n[n-]c(C(=O)NCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000264590040 389337402 /nfs/dbraw/zinc/33/74/02/389337402.db2.gz BJAPCOONCYVODX-UHFFFAOYSA-N 0 3 292.299 0.815 20 5 CCBDHN CN(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000170863628 389466490 /nfs/dbraw/zinc/46/64/90/389466490.db2.gz XNMSXEDOOXBCOK-QMMMGPOBSA-N 0 3 253.258 0.964 20 5 CCBDHN CN(c1ncc([N+](=O)[O-])cn1)[C@@H]1CCCN(C)C1 ZINC000273148333 389474754 /nfs/dbraw/zinc/47/47/54/389474754.db2.gz HAZLCCPXUQAADW-SECBINFHSA-N 0 3 251.290 0.915 20 5 CCBDHN COCCOC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174866782 389532096 /nfs/dbraw/zinc/53/20/96/389532096.db2.gz WRZJTXYTPJCNAK-UHFFFAOYSA-N 0 3 298.343 0.919 20 5 CCBDHN CN(C)C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCO1 ZINC000374067877 389542515 /nfs/dbraw/zinc/54/25/15/389542515.db2.gz SZTSGQSBLKMPTL-SNVBAGLBSA-N 0 3 283.332 0.091 20 5 CCBDHN COCCNCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414867161 389641708 /nfs/dbraw/zinc/64/17/08/389641708.db2.gz BUJMOSXEFRVFFM-UHFFFAOYSA-N 0 3 283.328 0.929 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)CN ZINC000415603177 389694429 /nfs/dbraw/zinc/69/44/29/389694429.db2.gz TVHQNWIDPCIDPT-MRVPVSSYSA-N 0 3 294.311 0.614 20 5 CCBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCOC1 ZINC000352194899 389768749 /nfs/dbraw/zinc/76/87/49/389768749.db2.gz MLLYMOYTRPXNNT-PWSUYJOCSA-N 0 3 284.316 0.263 20 5 CCBDHN COC(=O)c1cc(NC(=O)[C@H]2CCN2)cc([N+](=O)[O-])c1 ZINC000444151179 389892746 /nfs/dbraw/zinc/89/27/46/389892746.db2.gz YMAZVZXPNVKJRH-SNVBAGLBSA-N 0 3 279.252 0.682 20 5 CCBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000457091939 390028027 /nfs/dbraw/zinc/02/80/27/390028027.db2.gz NDHHJTFGDRDIGZ-SECBINFHSA-N 0 3 281.316 0.873 20 5 CCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547763714 390397018 /nfs/dbraw/zinc/39/70/18/390397018.db2.gz ZRBRJNUHVSYCDT-PSASIEDQSA-N 0 3 281.316 0.730 20 5 CCBDHN C[C@](O)(CNCCn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000519596038 390514582 /nfs/dbraw/zinc/51/45/82/390514582.db2.gz IZFZWMMHDWEJMR-QMMMGPOBSA-N 0 3 282.222 0.694 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC(=O)N(C)C1 ZINC000565608696 390530037 /nfs/dbraw/zinc/53/00/37/390530037.db2.gz XTTKOUITOKPSIY-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN COc1ccc(CC(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000572520396 390787690 /nfs/dbraw/zinc/78/76/90/390787690.db2.gz IHDMUKZXPQCDGV-UHFFFAOYSA-N 0 3 293.323 0.968 20 5 CCBDHN Cc1nc(NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450588999 533599097 /nfs/dbraw/zinc/59/90/97/533599097.db2.gz BPYOECHBROZXTG-LBPRGKRZSA-N 0 3 294.355 0.979 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1C ZINC000262836675 131265786 /nfs/dbraw/zinc/26/57/86/131265786.db2.gz WMXBWMUOTNOVMQ-RKDXNWHRSA-N 0 3 278.312 0.999 20 5 CCBDHN C[C@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000357497104 144096933 /nfs/dbraw/zinc/09/69/33/144096933.db2.gz ABJDZGYJFUVSPX-DTWKUNHWSA-N 0 3 293.327 0.983 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358051820 144145902 /nfs/dbraw/zinc/14/59/02/144145902.db2.gz RXGUVARRFZLOEA-AWEZNQCLSA-N 0 3 293.323 0.700 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368644267 144237726 /nfs/dbraw/zinc/23/77/26/144237726.db2.gz CMCMDPJJTYAJBH-IUCAKERBSA-N 0 3 282.275 0.728 20 5 CCBDHN [NH3+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000021804867 171327228 /nfs/dbraw/zinc/32/72/28/171327228.db2.gz BKJQQGHHCJGYII-UHFFFAOYSA-N 0 3 293.732 0.875 20 5 CCBDHN CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285450105 196287839 /nfs/dbraw/zinc/28/78/39/196287839.db2.gz XXRUPTHDKNCQFE-QMMMGPOBSA-N 0 3 267.289 0.484 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCNCC1 ZINC000035346767 292587178 /nfs/dbraw/zinc/58/71/78/292587178.db2.gz CFGMLTFPILXZGF-UHFFFAOYSA-N 0 3 299.352 0.887 20 5 CCBDHN COCCNCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000576945337 335267806 /nfs/dbraw/zinc/26/78/06/335267806.db2.gz YWVSEIUZWBCNGC-UHFFFAOYSA-N 0 3 282.300 0.143 20 5 CCBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N(C)C ZINC000581415790 336073029 /nfs/dbraw/zinc/07/30/29/336073029.db2.gz CYLFPMZRVHBMPJ-QMMMGPOBSA-N 0 3 252.274 0.670 20 5 CCBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1COC[C@H]1O ZINC000453327714 534254216 /nfs/dbraw/zinc/25/42/16/534254216.db2.gz AZAQTTKPSSOJHR-UFGOTCBOSA-N 0 3 266.297 0.875 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347737918 536375538 /nfs/dbraw/zinc/37/55/38/536375538.db2.gz MZFLUVIQTXTHCM-SECBINFHSA-N 0 3 266.301 0.757 20 5 CCBDHN CC[C@@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749649550 582016617 /nfs/dbraw/zinc/01/66/17/582016617.db2.gz WWMVQKZWHCOCCW-CMPLNLGQSA-N 0 3 254.286 0.989 20 5 CCBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000764360318 582043603 /nfs/dbraw/zinc/04/36/03/582043603.db2.gz BLWCBUPDTKMUTR-MRVPVSSYSA-N 0 3 269.305 0.634 20 5 CCBDHN CCC[C@H](O)[C@@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843098821 614427787 /nfs/dbraw/zinc/42/77/87/614427787.db2.gz ALYRPCUXJIVCFV-RDBSUJKOSA-N 0 3 298.339 0.740 20 5 CCBDHN CC(=O)OC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000153539866 614214858 /nfs/dbraw/zinc/21/48/58/614214858.db2.gz NYYNSCUBJUBZRN-UHFFFAOYSA-N 0 3 282.300 0.819 20 5 CCBDHN CC(C)N1CCC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000934948976 614352883 /nfs/dbraw/zinc/35/28/83/614352883.db2.gz ABVSZMCJZOTTIY-LBPRGKRZSA-N 0 3 295.343 0.780 20 5 CCBDHN CCCN1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000842363348 614801215 /nfs/dbraw/zinc/80/12/15/614801215.db2.gz GNECEUFKPFAVMU-DTWKUNHWSA-N 0 3 258.274 0.453 20 5 CCBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000910272174 615120821 /nfs/dbraw/zinc/12/08/21/615120821.db2.gz CIGATGNUPOGLPY-VIFPVBQESA-N 0 3 281.316 0.874 20 5 CCBDHN CCN1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910284589 615121547 /nfs/dbraw/zinc/12/15/47/615121547.db2.gz RUADZTNAVDBMSS-SNVBAGLBSA-N 0 3 295.343 0.885 20 5 CCBDHN CC[C@@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000916570732 615490696 /nfs/dbraw/zinc/49/06/96/615490696.db2.gz QFXKCVIWBCDLHG-VIFPVBQESA-N 0 3 267.285 0.894 20 5 CCBDHN CN(CCOCCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000800508384 616117515 /nfs/dbraw/zinc/11/75/15/616117515.db2.gz TWZHLZJBERAEPZ-ZDUSSCGKSA-N 0 3 284.312 0.569 20 5 CCBDHN COCCNCC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000867996042 616508551 /nfs/dbraw/zinc/50/85/51/616508551.db2.gz OGWURVZOEZOAOL-UHFFFAOYSA-N 0 3 281.312 0.755 20 5 CCBDHN CC(COC(=O)c1nn(C)cc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813112156 624656729 /nfs/dbraw/zinc/65/67/29/624656729.db2.gz CTCDPJFXXLWCPV-RXMQYKEDSA-N 0 3 258.190 0.150 20 5 CCBDHN Cn1cc(N2CCC[C@H](NCC[N+](=O)[O-])C2)cn1 ZINC000905140995 634807706 /nfs/dbraw/zinc/80/77/06/634807706.db2.gz XCCUTSMMTCFNDU-JTQLQIEISA-N 0 3 253.306 0.255 20 5 CCBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CNOC2)n1 ZINC000925861282 631407594 /nfs/dbraw/zinc/40/75/94/631407594.db2.gz ABZLMFSTDSWCNV-GMTAPVOTSA-N 0 3 281.316 0.768 20 5 CCBDHN CCC(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000989833797 633360617 /nfs/dbraw/zinc/36/06/17/633360617.db2.gz GGXLJSBYJQPLAD-UHFFFAOYSA-N 0 3 295.343 0.819 20 5 CCBDHN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC([NH+]2CCCC2)C1 ZINC000898605288 633632219 /nfs/dbraw/zinc/63/22/19/633632219.db2.gz SMLBTVBBLKEVRR-UHFFFAOYSA-N 0 3 265.273 0.238 20 5 CCBDHN CC(COC(=O)CCn1ccccc1=O)[N+](=O)[O-] ZINC000813105794 641022341 /nfs/dbraw/zinc/02/23/41/641022341.db2.gz UPLZZSBHZMAEED-VIFPVBQESA-N 0 3 254.242 0.447 20 5 CCBDHN COc1c(C(=O)OCC(C)[N+](=O)[O-])c(C)nn1C ZINC000813110632 641024224 /nfs/dbraw/zinc/02/42/24/641024224.db2.gz GBCAYMMOTPCWOD-LURJTMIESA-N 0 3 257.246 0.559 20 5 CCBDHN Cc1cc(C(=O)NC[C@H]2CNCCO2)c(N)c([N+](=O)[O-])c1 ZINC000818012019 641289243 /nfs/dbraw/zinc/28/92/43/641289243.db2.gz PNQPTKLVJFAEKD-SECBINFHSA-N 0 3 294.311 0.204 20 5 CCBDHN Cc1ccnc(NC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC000134273171 647715600 /nfs/dbraw/zinc/71/56/00/647715600.db2.gz ORLNGWLXUIDEOV-SECBINFHSA-N 0 3 252.274 0.699 20 5 CCBDHN O=[N+]([O-])c1ncccc1CN[C@@H](CO)C1CCOCC1 ZINC000886122871 647904513 /nfs/dbraw/zinc/90/45/13/647904513.db2.gz MIKOQYPJCZMINY-LBPRGKRZSA-N 0 3 281.312 0.867 20 5 CCBDHN C[C@@H](C[N+](C)(C)C)Oc1cccc([O-])c1C(N)=O ZINC001234149864 806190351 /nfs/dbraw/zinc/19/03/51/806190351.db2.gz QFPOUDIRCYIWQS-VIFPVBQESA-O 0 3 253.322 0.965 20 5 CCBDHN O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]c2nccc(Cl)c2[N+](=O)[O-])N1 ZINC001155570687 801010069 /nfs/dbraw/zinc/01/00/69/801010069.db2.gz OUJFYHFNTAHEMW-CPCISQLKSA-N 0 3 297.702 0.633 20 5 CCBDHN COc1nc(-n2nc(CN)cc2C)ccc1[N+](=O)[O-] ZINC001156038446 801098036 /nfs/dbraw/zinc/09/80/36/801098036.db2.gz RVHWYIVJTWSMRC-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN COc1cc(C)nc(-n2nncc2CN)c1[N+](=O)[O-] ZINC001158423675 801644011 /nfs/dbraw/zinc/64/40/11/801644011.db2.gz XNOUDQSFYHSSJR-UHFFFAOYSA-N 0 3 264.245 0.346 20 5 CCBDHN C[C@H](Nc1cccc([N+](=O)[O-])n1)[C@H]1CNCCO1 ZINC001159495985 801821130 /nfs/dbraw/zinc/82/11/30/801821130.db2.gz HOYMHFNQSKOBQK-DTWKUNHWSA-N 0 3 252.274 0.779 20 5 CCBDHN COc1ncnc(N[C@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159499780 801823969 /nfs/dbraw/zinc/82/39/69/801823969.db2.gz VNVVMQRKRRIAGK-HTQZYQBOSA-N 0 3 283.288 0.182 20 5 CCBDHN O=[N+]([O-])c1cc2c(cc1NCCn1ccnn1)CNC2 ZINC001161930352 802249191 /nfs/dbraw/zinc/24/91/91/802249191.db2.gz QAEKWSWGZZQQGA-UHFFFAOYSA-N 0 3 274.284 0.902 20 5 CCBDHN O=[N+]([O-])c1cc2c(cc1N[C@@H]1CCS(=O)(=O)C1)CNC2 ZINC001162499755 802354614 /nfs/dbraw/zinc/35/46/14/802354614.db2.gz NFQLELLHNUKLER-SNVBAGLBSA-N 0 3 297.336 0.797 20 5 CCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N1CC(C)(N(C)C)C1 ZINC001165116722 802784521 /nfs/dbraw/zinc/78/45/21/802784521.db2.gz KPGXJDBYYUGSCM-UHFFFAOYSA-N 0 3 294.311 0.917 20 5 CCBDHN C[N@@H+]1[C@@H]2C[C@H](Oc3nc[n-]c(=O)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228139815 805416493 /nfs/dbraw/zinc/41/64/93/805416493.db2.gz BCTGTZOPCNVVPJ-ZQARSLAVSA-N 0 3 294.267 0.273 20 5 CCBDHN C[N@H+]1[C@@H]2C[C@H](Oc3nc[n-]c(=O)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228139815 805416496 /nfs/dbraw/zinc/41/64/96/805416496.db2.gz BCTGTZOPCNVVPJ-ZQARSLAVSA-N 0 3 294.267 0.273 20 5 CCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC001126801612 815112315 /nfs/dbraw/zinc/11/23/15/815112315.db2.gz YDNRRGAHDDTRRT-UHFFFAOYSA-N 0 3 289.295 0.838 20 5 CCBDHN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC001263502074 809526898 /nfs/dbraw/zinc/52/68/98/809526898.db2.gz JYUFVNGAGGBELD-HLTSFMKQSA-N 0 3 259.258 0.784 20 5 CCBDHN O=C(NCCNCc1nccs1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932200 815308738 /nfs/dbraw/zinc/30/87/38/815308738.db2.gz LUURAOHZUNOXDJ-HTQZYQBOSA-N 0 3 270.314 0.014 20 5 CCBDHN O=[N+]([O-])c1cc2c(cc1NC1(CO)COC1)CNC2 ZINC001168180726 814876170 /nfs/dbraw/zinc/87/61/70/814876170.db2.gz HSAOJGCKXQUKRM-UHFFFAOYSA-N 0 3 265.269 0.371 20 5 CCBDHN C[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])CN1CCOCC1 ZINC001123219372 816886009 /nfs/dbraw/zinc/88/60/09/816886009.db2.gz HTDZDIUZICGSFV-HBNTYKKESA-N 0 3 272.301 0.163 20 5 CCBDHN O=C(NC[C@H]1C[C@@H](NCc2ccon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082934 822107207 /nfs/dbraw/zinc/10/72/07/822107207.db2.gz IKHCBQYFNHMKRB-SASUGWTJSA-N 0 3 294.311 0.324 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2Cc3ccnn3CC[C@@H]2CO)C1 ZINC001169047899 836117401 /nfs/dbraw/zinc/11/74/01/836117401.db2.gz SKSADOMIWWSBNP-MBNYWOFBSA-N 0 3 294.355 0.895 20 5 CCBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CNCCO1 ZINC001170557910 838075706 /nfs/dbraw/zinc/07/57/06/838075706.db2.gz ITSAVJMFZFXGBH-SCZZXKLOSA-N 0 3 252.274 0.779 20 5 CCBDHN CC(COC(=O)CCCn1ccccc1=O)[N+](=O)[O-] ZINC000813102372 838677047 /nfs/dbraw/zinc/67/70/47/838677047.db2.gz QCFLNLQYWSIULI-SNVBAGLBSA-N 0 3 268.269 0.837 20 5 CCBDHN Cn1cc(CNC2(CC(N)=O)CCCCC2)c([N+](=O)[O-])n1 ZINC001198532997 847121393 /nfs/dbraw/zinc/12/13/93/847121393.db2.gz ILKBMWLKGIATPU-UHFFFAOYSA-N 0 3 295.343 0.996 20 5 CCBDHN Cc1ccc(CNC[C@@H](O)[C@H](C)O)cc1[N+](=O)[O-] ZINC000717289045 848217895 /nfs/dbraw/zinc/21/78/95/848217895.db2.gz SEFYYRRPZBELMU-JOYOIKCWSA-N 0 3 254.286 0.735 20 5 CCBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])c[nH]1 ZINC001292419615 906214505 /nfs/dbraw/zinc/21/45/05/906214505.db2.gz LCSJODOXOFMSDR-GXSJLCMTSA-N 0 3 294.311 0.516 20 5 CCBDHN Cc1nn(C)c(N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001307216954 906965874 /nfs/dbraw/zinc/96/58/74/906965874.db2.gz DQUFBUZNTDZFKO-SECBINFHSA-N 0 3 281.316 0.204 20 5 CCBDHN COc1ccc(CC(=O)[N-]OC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001342070019 922789246 /nfs/dbraw/zinc/78/92/46/922789246.db2.gz WVGPTCASXGUKKB-MRVPVSSYSA-N 0 3 283.284 0.541 20 5 CCBDHN O=C(N[C@H]1COC2(CNC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001344000250 923525130 /nfs/dbraw/zinc/52/51/30/923525130.db2.gz PCYCPOUTRGEWLA-SNVBAGLBSA-N 0 3 277.280 0.456 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@]2(CCOC2)C1 ZINC000090552197 349438691 /nfs/dbraw/zinc/43/86/91/349438691.db2.gz KDILLWZSUXATPT-AWEZNQCLSA-N 0 3 293.323 0.869 20 5 CCBDHN CN(C)CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000090998278 349446167 /nfs/dbraw/zinc/44/61/67/349446167.db2.gz PTYJPNBEANANSM-UHFFFAOYSA-N 0 3 250.262 0.611 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCN(C)C1 ZINC000108328599 349745837 /nfs/dbraw/zinc/74/58/37/349745837.db2.gz WXUVQPGDTCHPPK-LLVKDONJSA-N 0 3 295.343 0.558 20 5 CCBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1COC[C@H]1O ZINC000601139727 362155268 /nfs/dbraw/zinc/15/52/68/362155268.db2.gz MNNPMBOMNYEQHR-OLEFQQMKSA-N 0 3 264.281 0.957 20 5 CCBDHN CNC(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058308 529864714 /nfs/dbraw/zinc/86/47/14/529864714.db2.gz IAAXOZPPWKZRJX-VIFPVBQESA-N 0 3 251.286 0.861 20 5 CCBDHN CN(CC(=O)NCCn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000602122503 362505007 /nfs/dbraw/zinc/50/50/07/362505007.db2.gz CUFMVZYUEYUQDS-UHFFFAOYSA-N 0 3 297.359 0.885 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccncc2)c1 ZINC000037883821 348214832 /nfs/dbraw/zinc/21/48/32/348214832.db2.gz QEIBZGUGISOLTK-LBPRGKRZSA-N 0 3 277.284 0.337 20 5 CCBDHN CNCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000040835006 348244144 /nfs/dbraw/zinc/24/41/44/348244144.db2.gz LFONBMXWDLDDQL-UHFFFAOYSA-N 0 3 278.312 0.463 20 5 CCBDHN C[C@H](CN(C)C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000346147033 137269421 /nfs/dbraw/zinc/26/94/21/137269421.db2.gz WKQCFVNWGKPGIT-SECBINFHSA-N 0 3 269.305 0.248 20 5 CCBDHN COC[C@](C)(CO)NCCOc1cccc([N+](=O)[O-])c1 ZINC000602932567 362894365 /nfs/dbraw/zinc/89/43/65/362894365.db2.gz PZVYXDNGIRQZEQ-ZDUSSCGKSA-N 0 3 284.312 0.961 20 5 CCBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cnn(C)c1 ZINC000273402113 192139710 /nfs/dbraw/zinc/13/97/10/192139710.db2.gz RBKWGWBKZDVBGR-JTQLQIEISA-N 0 3 291.311 0.841 20 5 CCBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCNC1CC1 ZINC000054266965 348547433 /nfs/dbraw/zinc/54/74/33/348547433.db2.gz LKSLWZYYBNPJKM-UHFFFAOYSA-N 0 3 299.352 0.934 20 5 CCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCN(C2CC2)C1 ZINC000060470524 348644720 /nfs/dbraw/zinc/64/47/20/348644720.db2.gz BMNIFBUHHPDREF-SECBINFHSA-N 0 3 279.300 0.144 20 5 CCBDHN CC(C)N1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000068778256 348821254 /nfs/dbraw/zinc/82/12/54/348821254.db2.gz NHHKUOHPYLODGW-UHFFFAOYSA-N 0 3 295.343 0.734 20 5 CCBDHN O=[N+]([O-])c1nn(C[C@H]2CNCCO2)cc1Br ZINC000070833955 348897923 /nfs/dbraw/zinc/89/79/23/348897923.db2.gz HFRDLXNDUJBXLE-ZCFIWIBFSA-N 0 3 291.105 0.542 20 5 CCBDHN C[C@H](O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075738023 349049723 /nfs/dbraw/zinc/04/97/23/349049723.db2.gz FUODQTAEOTWEPM-GWCFXTLKSA-N 0 3 298.343 0.245 20 5 CCBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)CN1 ZINC000086467737 349340072 /nfs/dbraw/zinc/34/00/72/349340072.db2.gz WCIQKXYEUSKHRT-IUCAKERBSA-N 0 3 266.301 0.756 20 5 CCBDHN COC[C@](C)(CCO)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000090552099 180002519 /nfs/dbraw/zinc/00/25/19/180002519.db2.gz PLVNYVAIXIVZMV-ZDUSSCGKSA-N 0 3 299.327 0.134 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151285093 350497712 /nfs/dbraw/zinc/49/77/12/350497712.db2.gz KZOOXGKWCAARKD-SNVBAGLBSA-N 0 3 296.331 0.185 20 5 CCBDHN CN(CCn1cccn1)CCn1cc([N+](=O)[O-])cn1 ZINC000174857485 351108036 /nfs/dbraw/zinc/10/80/36/351108036.db2.gz WPFOVUITKINVFO-UHFFFAOYSA-N 0 3 264.289 0.620 20 5 CCBDHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000184447404 351411544 /nfs/dbraw/zinc/41/15/44/351411544.db2.gz HKPAQFHVFZXFKX-VIFPVBQESA-N 0 3 293.327 0.644 20 5 CCBDHN C[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192759008 351796612 /nfs/dbraw/zinc/79/66/12/351796612.db2.gz QDBBWTFLZIZVQL-ZJUUUORDSA-N 0 3 266.301 0.857 20 5 CCBDHN Cc1cc(NC[C@@H]2CSCCN2)ncc1[N+](=O)[O-] ZINC000603418233 363122658 /nfs/dbraw/zinc/12/26/58/363122658.db2.gz FAWQOMXQUMRRSI-SECBINFHSA-N 0 3 268.342 0.837 20 5 CCBDHN C[C@@H]1CSCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247701216 352424748 /nfs/dbraw/zinc/42/47/48/352424748.db2.gz XYCIPXAFKAVRMM-MWLCHTKSSA-N 0 3 286.357 0.590 20 5 CCBDHN CNC(=O)c1ccc(N2CCNC[C@H]2C)c([N+](=O)[O-])c1 ZINC000261670953 352563273 /nfs/dbraw/zinc/56/32/73/352563273.db2.gz BJOKNYGXEORSLT-SECBINFHSA-N 0 3 278.312 0.753 20 5 CCBDHN COCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266185958 352687804 /nfs/dbraw/zinc/68/78/04/352687804.db2.gz ZZVOOUANUAFXHI-UHFFFAOYSA-N 0 3 284.316 0.621 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](CO)C2)n1 ZINC000267127018 352746301 /nfs/dbraw/zinc/74/63/01/352746301.db2.gz BZXJSMZSOQPVJY-JTQLQIEISA-N 0 3 254.290 0.496 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272642283 353081937 /nfs/dbraw/zinc/08/19/37/353081937.db2.gz LUJWTAHVEBIOSD-CYBMUJFWSA-N 0 3 296.327 0.219 20 5 CCBDHN COCCNCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000152373666 188013440 /nfs/dbraw/zinc/01/34/40/188013440.db2.gz BZASGYVVJSFDDD-UHFFFAOYSA-N 0 3 267.285 0.561 20 5 CCBDHN CN(CCN(C)C1CC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000274610734 353146005 /nfs/dbraw/zinc/14/60/05/353146005.db2.gz WSNKLTCSJRUUGG-UHFFFAOYSA-N 0 3 281.316 0.344 20 5 CCBDHN CN(C)[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000292404985 198276482 /nfs/dbraw/zinc/27/64/82/198276482.db2.gz SASOUDKUAOCHMJ-UWVGGRQHSA-N 0 3 286.719 0.754 20 5 CCBDHN CCN(CCOCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282185887 353401084 /nfs/dbraw/zinc/40/10/84/353401084.db2.gz WDVKTRDVJYOYIN-CQSZACIVSA-N 0 3 298.339 0.959 20 5 CCBDHN CCCc1n[nH]c(C(=O)N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000158343935 188370450 /nfs/dbraw/zinc/37/04/50/188370450.db2.gz LABUSIJECXRYPJ-UHFFFAOYSA-N 0 3 281.316 0.656 20 5 CCBDHN CCCc1[nH]nc(C(=O)N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000158343935 188370452 /nfs/dbraw/zinc/37/04/52/188370452.db2.gz LABUSIJECXRYPJ-UHFFFAOYSA-N 0 3 281.316 0.656 20 5 CCBDHN Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000299530495 354024828 /nfs/dbraw/zinc/02/48/28/354024828.db2.gz LMUARCRJULCBPV-LURJTMIESA-N 0 3 255.278 0.306 20 5 CCBDHN C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1CO ZINC000305444552 354146672 /nfs/dbraw/zinc/14/66/72/354146672.db2.gz ORTNAJMIFYKOBN-GHMZBOCLSA-N 0 3 268.317 0.884 20 5 CCBDHN C[C@H]1CCOCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305758456 354160017 /nfs/dbraw/zinc/16/00/17/354160017.db2.gz CGJHAAJSVFHFLB-JQWIXIFHSA-N 0 3 284.316 0.263 20 5 CCBDHN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000320823884 354227638 /nfs/dbraw/zinc/22/76/38/354227638.db2.gz JMAFQQXSXNJQFS-BDAKNGLRSA-N 0 3 287.341 0.999 20 5 CCBDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000332307687 354643860 /nfs/dbraw/zinc/64/38/60/354643860.db2.gz KLQRROJGGAWVNS-PHIMTYICSA-N 0 3 295.343 0.780 20 5 CCBDHN CCN(C)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000338760273 355414270 /nfs/dbraw/zinc/41/42/70/355414270.db2.gz GEYDTFRQSCNBKU-UHFFFAOYSA-N 0 3 297.359 0.866 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2CCO)n1 ZINC000426210645 235329128 /nfs/dbraw/zinc/32/91/28/235329128.db2.gz MUBNHLJBGQBFLM-JTQLQIEISA-N 0 3 254.290 0.638 20 5 CCBDHN CCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000352679366 356050944 /nfs/dbraw/zinc/05/09/44/356050944.db2.gz ZJGZIAOFPUYEQC-AAEUAGOBSA-N 0 3 297.359 0.178 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H](CO)C1CCCC1 ZINC000352708334 356060210 /nfs/dbraw/zinc/06/02/10/356060210.db2.gz WDTDYBVDJCFQKS-SNVBAGLBSA-N 0 3 268.317 0.969 20 5 CCBDHN CO[C@@H](CN)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353136314 356162785 /nfs/dbraw/zinc/16/27/85/356162785.db2.gz AVHTZXSBWGWFNA-NSHDSACASA-N 0 3 282.300 0.097 20 5 CCBDHN CN(c1ncc([N+](=O)[O-])cn1)C1CCN(CCO)CC1 ZINC000354575276 356442445 /nfs/dbraw/zinc/44/24/45/356442445.db2.gz LSCXUOXGZBBBDU-UHFFFAOYSA-N 0 3 281.316 0.278 20 5 CCBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356145443 356710909 /nfs/dbraw/zinc/71/09/09/356710909.db2.gz DZPUGMYSQBYNOE-UHFFFAOYSA-N 0 3 281.316 0.542 20 5 CCBDHN C[C@@H]1C[C@@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1C ZINC000356347278 356749404 /nfs/dbraw/zinc/74/94/04/356749404.db2.gz TTZZTIFFHYAGJM-ZJUUUORDSA-N 0 3 296.331 0.127 20 5 CCBDHN COC[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610604897 363584225 /nfs/dbraw/zinc/58/42/25/363584225.db2.gz DAHNQGNQHJEANK-CMPLNLGQSA-N 0 3 284.316 0.263 20 5 CCBDHN O=C(NCCN1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000610768982 363611437 /nfs/dbraw/zinc/61/14/37/363611437.db2.gz WEQSWFWCENOYRH-UHFFFAOYSA-N 0 3 264.285 0.815 20 5 CCBDHN Cc1nn(C)c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442476 359465982 /nfs/dbraw/zinc/46/59/82/359465982.db2.gz HEVXJNSOFPCWQL-VHSXEESVSA-N 0 3 293.327 0.413 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590447412 359469736 /nfs/dbraw/zinc/46/97/36/359469736.db2.gz XAXCYJBAHMLUTG-IUCAKERBSA-N 0 3 279.300 0.402 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590447412 359469744 /nfs/dbraw/zinc/46/97/44/359469744.db2.gz XAXCYJBAHMLUTG-IUCAKERBSA-N 0 3 279.300 0.402 20 5 CCBDHN CC1(C)CNCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000591677840 359636130 /nfs/dbraw/zinc/63/61/30/359636130.db2.gz GOSAKSGUZXDQQK-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000591686157 359638580 /nfs/dbraw/zinc/63/85/80/359638580.db2.gz MQULJJPDVYQOQB-YUMQZZPRSA-N 0 3 270.264 0.363 20 5 CCBDHN Cc1occc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591727873 359648968 /nfs/dbraw/zinc/64/89/68/359648968.db2.gz BXHJIYXRJAPLHK-LBPRGKRZSA-N 0 3 280.284 0.843 20 5 CCBDHN COC[C@@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592430744 359838447 /nfs/dbraw/zinc/83/84/47/359838447.db2.gz FWZPPDVYEPOPRU-SNVBAGLBSA-N 0 3 297.311 0.520 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CCN1C ZINC000594302893 360270497 /nfs/dbraw/zinc/27/04/97/360270497.db2.gz VGRIYWDQACXALG-DTWKUNHWSA-N 0 3 293.327 0.615 20 5 CCBDHN O=[N+]([O-])c1ccccc1CNC[C@@]1(OCCO)CCOC1 ZINC000594974920 360428257 /nfs/dbraw/zinc/42/82/57/360428257.db2.gz NVMNUMCZIVMBBB-AWEZNQCLSA-N 0 3 296.323 0.852 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1C[C@H](O)C12CCC2 ZINC000595779831 360653786 /nfs/dbraw/zinc/65/37/86/360653786.db2.gz FXAYWRVEDFVUKR-NEPJUHHUSA-N 0 3 293.323 0.650 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000595756080 360641021 /nfs/dbraw/zinc/64/10/21/360641021.db2.gz DSSXDKVXWCQUFE-GXSJLCMTSA-N 0 3 252.274 0.248 20 5 CCBDHN C[C@@H](NCCN1C(=O)CNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178656008 189135222 /nfs/dbraw/zinc/13/52/22/189135222.db2.gz JSGHGXJQTYLCGA-SECBINFHSA-N 0 3 292.295 0.797 20 5 CCBDHN COc1ccc(CNC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000179026296 189162682 /nfs/dbraw/zinc/16/26/82/189162682.db2.gz NGFZWGMXMPNIRW-CYBMUJFWSA-N 0 3 282.296 0.844 20 5 CCBDHN CC(C)(C)N1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000596307365 360876868 /nfs/dbraw/zinc/87/68/68/360876868.db2.gz LGVMZAIGLAWUHV-MRVPVSSYSA-N 0 3 280.332 0.504 20 5 CCBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C2 ZINC000597709769 361205137 /nfs/dbraw/zinc/20/51/37/361205137.db2.gz BJIXYAZCELJJDQ-ZDUSSCGKSA-N 0 3 293.327 0.876 20 5 CCBDHN Cc1ccc(S(=O)(=O)NC2CNC2)c(C)c1[N+](=O)[O-] ZINC000598717136 361494870 /nfs/dbraw/zinc/49/48/70/361494870.db2.gz YEZFYCBCPIUVOC-UHFFFAOYSA-N 0 3 285.325 0.462 20 5 CCBDHN Cc1ccc([C@@H](C)Nc2nc(N)nc(N)n2)cc1[N+](=O)[O-] ZINC000599062455 361563751 /nfs/dbraw/zinc/56/37/51/361563751.db2.gz QTBSIGZNKXOLNY-SSDOTTSWSA-N 0 3 289.299 0.508 20 5 CCBDHN Cc1nn(C)c(C(=O)NCC2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC000275976373 193178698 /nfs/dbraw/zinc/17/86/98/193178698.db2.gz MDJKVHBNWFVHQZ-UHFFFAOYSA-N 0 3 295.343 0.851 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCC[C@@H]1CCO ZINC000330582411 203000161 /nfs/dbraw/zinc/00/01/61/203000161.db2.gz SGKWSIAQRLBMQJ-ZJUUUORDSA-N 0 3 268.317 0.969 20 5 CCBDHN CN(C)C1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000276082869 193208749 /nfs/dbraw/zinc/20/87/49/193208749.db2.gz XIBODCATQAWRLF-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN NC(=O)[C@]1(O)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000276269995 193265888 /nfs/dbraw/zinc/26/58/88/193265888.db2.gz CQNWIVSYMZCBPG-ZDUSSCGKSA-N 0 3 279.296 0.059 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CNCCC1(F)F ZINC000569241530 291663616 /nfs/dbraw/zinc/66/36/16/291663616.db2.gz YMTSLBYNAQCMJT-ZETCQYMHSA-N 0 3 289.242 0.055 20 5 CCBDHN COC(=O)c1cc(NC(=O)[C@@H](CN)OC)cc([N+](=O)[O-])c1 ZINC000289473074 197364681 /nfs/dbraw/zinc/36/46/81/197364681.db2.gz DRJARSSBKJBBMU-SNVBAGLBSA-N 0 3 297.267 0.294 20 5 CCBDHN CN1CC[C@@]2(CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)C1 ZINC000292254649 388946758 /nfs/dbraw/zinc/94/67/58/388946758.db2.gz KHZPRNKMMBHDBE-GFCCVEGCSA-N 0 3 278.316 0.499 20 5 CCBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347517867 389353729 /nfs/dbraw/zinc/35/37/29/389353729.db2.gz JIAOJEGFEOPCJX-VHSXEESVSA-N 0 3 295.343 0.741 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CNCCO1 ZINC000415091454 389657350 /nfs/dbraw/zinc/65/73/50/389657350.db2.gz CPXNQZPRTBSSKU-ZDUSSCGKSA-N 0 3 265.313 0.981 20 5 CCBDHN COc1ccc(CNC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415097501 389658425 /nfs/dbraw/zinc/65/84/25/389658425.db2.gz SPQSWOQREOZNHV-NSHDSACASA-N 0 3 281.312 0.681 20 5 CCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN ZINC000415592422 389693352 /nfs/dbraw/zinc/69/33/52/389693352.db2.gz CEDJXDBIKJKAHT-MRVPVSSYSA-N 0 3 294.311 0.559 20 5 CCBDHN COc1ccc(CNC(=O)COC2CNC2)cc1[N+](=O)[O-] ZINC000429914487 389776003 /nfs/dbraw/zinc/77/60/03/389776003.db2.gz QMPBBOWBUGBPGH-UHFFFAOYSA-N 0 3 295.295 0.208 20 5 CCBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1O ZINC000446078076 389930824 /nfs/dbraw/zinc/93/08/24/389930824.db2.gz LJDINMLUJMOTSY-VXGBXAGGSA-N 0 3 298.343 0.245 20 5 CCBDHN C[C@@H](CN1CCOCC1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000434700167 389942451 /nfs/dbraw/zinc/94/24/51/389942451.db2.gz RLCDZUHBWKNGGD-LBPRGKRZSA-N 0 3 297.359 0.444 20 5 CCBDHN CN1CCN(CCNc2ncc([N+](=O)[O-])cn2)CC1(C)C ZINC000440673077 390041937 /nfs/dbraw/zinc/04/19/37/390041937.db2.gz ZAHWTJGAYVEUIQ-UHFFFAOYSA-N 0 3 294.359 0.245 20 5 CCBDHN CC1(C)CCCN1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000457047224 390025607 /nfs/dbraw/zinc/02/56/07/390025607.db2.gz CICUACLGCBBEEL-UHFFFAOYSA-N 0 3 281.316 0.922 20 5 CCBDHN CN(C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000457241182 390035690 /nfs/dbraw/zinc/03/56/90/390035690.db2.gz ORHYUZMIFZSQPH-UHFFFAOYSA-N 0 3 255.278 0.388 20 5 CCBDHN C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N(C)C1CC1 ZINC000547763292 390397210 /nfs/dbraw/zinc/39/72/10/390397210.db2.gz KVNITYDESJWZAL-ZETCQYMHSA-N 0 3 267.289 0.530 20 5 CCBDHN C[C@H](NCC(=O)N1CCNCC1)c1ccc([N+](=O)[O-])cc1 ZINC000519765314 390539502 /nfs/dbraw/zinc/53/95/02/390539502.db2.gz OIGGGLNKFKQHMR-NSHDSACASA-N 0 3 292.339 0.677 20 5 CCBDHN Cc1nc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000565786087 390546643 /nfs/dbraw/zinc/54/66/43/390546643.db2.gz IOCLNKZJDAGFMQ-ZJUUUORDSA-N 0 3 291.311 0.046 20 5 CCBDHN CC[C@H]1CN(C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572562050 390789749 /nfs/dbraw/zinc/78/97/49/390789749.db2.gz IRUXSHNQNZAECW-AAEUAGOBSA-N 0 3 297.359 0.178 20 5 CCBDHN C[C@@H]1NCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000262798751 131263107 /nfs/dbraw/zinc/26/31/07/131263107.db2.gz OSAIYRJYRMKYGJ-IUCAKERBSA-N 0 3 267.289 0.000 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCN[C@H](C)C2)c1[N+](=O)[O-] ZINC000269177186 132125200 /nfs/dbraw/zinc/12/52/00/132125200.db2.gz BWUNXOHUNYTCPN-ZCFIWIBFSA-N 0 3 253.262 0.060 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCN[C@H](C)C2)c1[N+](=O)[O-] ZINC000269177186 132125202 /nfs/dbraw/zinc/12/52/02/132125202.db2.gz BWUNXOHUNYTCPN-ZCFIWIBFSA-N 0 3 253.262 0.060 20 5 CCBDHN C[C@H]1CN(C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000357934484 144135208 /nfs/dbraw/zinc/13/52/08/144135208.db2.gz WIOXTNCBQGCFNY-JTQLQIEISA-N 0 3 253.306 0.427 20 5 CCBDHN Cc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000358065756 144148408 /nfs/dbraw/zinc/14/84/08/144148408.db2.gz NJBIZVODKYYSAN-AWEZNQCLSA-N 0 3 293.323 0.700 20 5 CCBDHN C[C@H]1CC[C@H](C)N1CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000332307690 300064879 /nfs/dbraw/zinc/06/48/79/300064879.db2.gz KLQRROJGGAWVNS-QWRGUYRKSA-N 0 3 295.343 0.780 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1CO ZINC000049751534 411677858 /nfs/dbraw/zinc/67/78/58/411677858.db2.gz CZZMGOQZHFJMGH-NSHDSACASA-N 0 3 268.317 0.947 20 5 CCBDHN CN1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298435352 273870684 /nfs/dbraw/zinc/87/06/84/273870684.db2.gz PBCSCELRWWDPQB-UHFFFAOYSA-N 0 3 279.300 0.595 20 5 CCBDHN CN(C)C[C@H]1CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290772006 289211854 /nfs/dbraw/zinc/21/18/54/289211854.db2.gz LPQZFIQOEOEPIP-SECBINFHSA-N 0 3 293.327 0.619 20 5 CCBDHN C[C@H](CN1CCCCC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000123276251 298560737 /nfs/dbraw/zinc/56/07/37/298560737.db2.gz XKWOVOIUVALCEQ-LLVKDONJSA-N 0 3 295.343 0.782 20 5 CCBDHN Cc1cc(C)c(S(=O)(=O)NC2CNC2)cc1[N+](=O)[O-] ZINC000193175064 335962324 /nfs/dbraw/zinc/96/23/24/335962324.db2.gz ZBLQOCORMOMTBO-UHFFFAOYSA-N 0 3 285.325 0.462 20 5 CCBDHN C[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCN1 ZINC000122689830 518180232 /nfs/dbraw/zinc/18/02/32/518180232.db2.gz CQKLNEMZAUKAMI-SECBINFHSA-N 0 3 299.352 0.796 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](CN)OC ZINC000353187716 525459694 /nfs/dbraw/zinc/45/96/94/525459694.db2.gz SGYRFMZMFXRJPR-NSHDSACASA-N 0 3 283.284 0.193 20 5 CCBDHN CN1CCC(ONC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000773539953 581932386 /nfs/dbraw/zinc/93/23/86/581932386.db2.gz BZNODUOKMBKWOD-UHFFFAOYSA-N 0 3 294.311 0.933 20 5 CCBDHN CC[C@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749649554 582016604 /nfs/dbraw/zinc/01/66/04/582016604.db2.gz WWMVQKZWHCOCCW-ZYHUDNBSSA-N 0 3 254.286 0.989 20 5 CCBDHN CC(=O)NCCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813103620 613720575 /nfs/dbraw/zinc/72/05/75/613720575.db2.gz RQLKCVLGDFHEIL-SECBINFHSA-N 0 3 260.290 0.891 20 5 CCBDHN CC(C)N1CCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000934948975 614342737 /nfs/dbraw/zinc/34/27/37/614342737.db2.gz ABVSZMCJZOTTIY-GFCCVEGCSA-N 0 3 295.343 0.780 20 5 CCBDHN CCC(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000982941026 614949159 /nfs/dbraw/zinc/94/91/59/614949159.db2.gz KZKUSVNCSLRZCY-MGCOHNPYSA-N 0 3 295.343 0.723 20 5 CCBDHN CCOC(=O)[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000932649221 615291686 /nfs/dbraw/zinc/29/16/86/615291686.db2.gz PVIBUGCMPIPATK-LLVKDONJSA-N 0 3 296.327 0.985 20 5 CCBDHN CCO[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000932972726 615489371 /nfs/dbraw/zinc/48/93/71/615489371.db2.gz FVYZAGRHTMCHCP-NSHDSACASA-N 0 3 254.290 0.902 20 5 CCBDHN CN1CCC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819133433 616208258 /nfs/dbraw/zinc/20/82/58/616208258.db2.gz NELIBDUUFPICNG-QWHCGFSZSA-N 0 3 293.323 0.839 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)C(C)(C)CC2)n1 ZINC000871155032 616232170 /nfs/dbraw/zinc/23/21/70/616232170.db2.gz NXUZZQBHQGQVBL-UHFFFAOYSA-N 0 3 295.343 0.885 20 5 CCBDHN CO[C@@H]1COC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830103529 616828558 /nfs/dbraw/zinc/82/85/58/616828558.db2.gz UVQILTXAQYRTKY-JHJVBQTASA-N 0 3 282.296 0.632 20 5 CCBDHN CNC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813110200 616905837 /nfs/dbraw/zinc/90/58/37/616905837.db2.gz URCHUAPZDPTLRH-ZETCQYMHSA-N 0 3 267.241 0.263 20 5 CCBDHN CO[C@H]1CC[C@@H]1N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000934114237 617104109 /nfs/dbraw/zinc/10/41/09/617104109.db2.gz GVNGGBDKJKWEEW-QWRGUYRKSA-N 0 3 254.290 0.901 20 5 CCBDHN CC(COC(=O)C1CCN(C(=O)N(C)C)CC1)[N+](=O)[O-] ZINC000813110254 624654644 /nfs/dbraw/zinc/65/46/44/624654644.db2.gz VTYZJUYXRAQWBV-VIFPVBQESA-N 0 3 287.316 0.588 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000928443941 631849327 /nfs/dbraw/zinc/84/93/27/631849327.db2.gz WQWARWOVMIWONL-PSASIEDQSA-N 0 3 264.285 0.812 20 5 CCBDHN C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000895249114 632035844 /nfs/dbraw/zinc/03/58/44/632035844.db2.gz OSYMCOZSNXHPOB-MWLCHTKSSA-N 0 3 295.343 0.742 20 5 CCBDHN Cn1nnnc1CCCNCc1ccc([N+](=O)[O-])cc1F ZINC000898039815 633272024 /nfs/dbraw/zinc/27/20/24/633272024.db2.gz HBCCDZGFBKESNY-UHFFFAOYSA-N 0 3 294.290 0.980 20 5 CCBDHN O=[N+]([O-])CCNCCN1CCc2sccc2C1 ZINC000899873835 633912131 /nfs/dbraw/zinc/91/21/31/633912131.db2.gz VODDITFRHYVBIO-UHFFFAOYSA-N 0 3 255.343 0.973 20 5 CCBDHN O=[N+]([O-])CCN[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000905355004 634847317 /nfs/dbraw/zinc/84/73/17/634847317.db2.gz QZVKGVZZGCXIPN-LSDHHAIUSA-N 0 3 293.367 0.736 20 5 CCBDHN COC[C@@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229172242 637101847 /nfs/dbraw/zinc/10/18/47/637101847.db2.gz GWNNARMPAMFTGB-ZYHUDNBSSA-N 0 3 270.285 0.225 20 5 CCBDHN CC(COC(=O)CCn1cc([N+](=O)[O-])cn1)[N+](=O)[O-] ZINC000813107986 641023107 /nfs/dbraw/zinc/02/31/07/641023107.db2.gz ZWJUEWJQSIFHOK-ZETCQYMHSA-N 0 3 272.217 0.390 20 5 CCBDHN CC(COC(=O)CN(C)[C@@H]1CCSC1)[N+](=O)[O-] ZINC000813109735 641023873 /nfs/dbraw/zinc/02/38/73/641023873.db2.gz VVVQLNGCPIBAJU-DTWKUNHWSA-N 0 3 262.331 0.632 20 5 CCBDHN C[C@H](C[N+](=O)[O-])OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000814048624 641055106 /nfs/dbraw/zinc/05/51/06/641055106.db2.gz VTZYDFUFNBQAEJ-QYNIQEEDSA-N 0 3 298.217 0.652 20 5 CCBDHN O=C(NCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000818943077 641367835 /nfs/dbraw/zinc/36/78/35/641367835.db2.gz UFQWJRCOVZLJBA-CYBMUJFWSA-N 0 3 293.323 0.744 20 5 CCBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nn2c1OCCC2 ZINC000835454534 642663500 /nfs/dbraw/zinc/66/35/00/642663500.db2.gz KMVZSKAXJRNLCN-SSDOTTSWSA-N 0 3 269.257 0.796 20 5 CCBDHN O=C(OCCN1CCSCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672698 642785910 /nfs/dbraw/zinc/78/59/10/642785910.db2.gz DXFUEFGJILKMAF-RKDXNWHRSA-N 0 3 260.315 0.244 20 5 CCBDHN CC(COC(=O)COCC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000842801840 642956490 /nfs/dbraw/zinc/95/64/90/642956490.db2.gz NLSCUUCJPYVXJF-MRVPVSSYSA-N 0 3 277.273 0.553 20 5 CCBDHN O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CNCCO3)n2)o1 ZINC000843237475 643018071 /nfs/dbraw/zinc/01/80/71/643018071.db2.gz CNWZXZZRGOMLJO-SSDOTTSWSA-N 0 3 280.240 0.769 20 5 CCBDHN CC(COC(=O)Cn1cc(C2CC2)cn1)[N+](=O)[O-] ZINC000851036586 643828181 /nfs/dbraw/zinc/82/81/81/643828181.db2.gz KPZHMENKGSDOND-MRVPVSSYSA-N 0 3 253.258 0.969 20 5 CCBDHN Nc1ccc([N+](=O)[O-])c(NCCN2CC[C@H](O)C2)c1 ZINC000858867589 644655949 /nfs/dbraw/zinc/65/59/49/644655949.db2.gz QBKYJRQHLOFMCG-JTQLQIEISA-N 0 3 266.301 0.656 20 5 CCBDHN O=[N+]([O-])CCN[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000930903562 648922913 /nfs/dbraw/zinc/92/29/13/648922913.db2.gz NJHUSYTWGOYUGI-MNOVXSKESA-N 0 3 258.318 0.563 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCF ZINC001120569785 798869051 /nfs/dbraw/zinc/86/90/51/798869051.db2.gz IPXGUZCIIXCTLY-VIFPVBQESA-N 0 3 258.249 0.894 20 5 CCBDHN CC(COC(=O)[C@@H](C)Cc1cnn(C)c1)[N+](=O)[O-] ZINC001122950502 799312900 /nfs/dbraw/zinc/31/29/00/799312900.db2.gz KFDZLQIHSQCONJ-IUCAKERBSA-N 0 3 255.274 0.807 20 5 CCBDHN CN1CC[C@@H]2CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001141196991 799990371 /nfs/dbraw/zinc/99/03/71/799990371.db2.gz PGVBJQGODUKWHI-KCJUWKMLSA-N 0 3 291.311 0.348 20 5 CCBDHN O=C(N[C@@]12CCN(C1)CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC001152586511 800540339 /nfs/dbraw/zinc/54/03/39/800540339.db2.gz NRPJAZVGNLFZQE-LBPRGKRZSA-N 0 3 264.285 0.891 20 5 CCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@]2(O)CCN(C)C2)n1 ZINC001153702007 800654304 /nfs/dbraw/zinc/65/43/04/800654304.db2.gz JZXHVSMBUWLLBB-ZDUSSCGKSA-N 0 3 294.311 0.095 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCOC[C@@H]1CN(C)C ZINC001154978627 800884789 /nfs/dbraw/zinc/88/47/89/800884789.db2.gz TZNVYAZTCKMONE-NSHDSACASA-N 0 3 296.327 0.303 20 5 CCBDHN COC(=O)c1ccnc(-n2nccc2CN)c1[N+](=O)[O-] ZINC001155124699 800915299 /nfs/dbraw/zinc/91/52/99/800915299.db2.gz DFEJITQGCCEROR-UHFFFAOYSA-N 0 3 277.240 0.421 20 5 CCBDHN COC(=O)c1ccnc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001158350721 801625703 /nfs/dbraw/zinc/62/57/03/801625703.db2.gz NRCATZNABGPRQO-SSDOTTSWSA-N 0 3 291.267 0.982 20 5 CCBDHN Cc1cc([N+](=O)[O-])c(-n2nncc2CN)nc1Cl ZINC001158420489 801640199 /nfs/dbraw/zinc/64/01/99/801640199.db2.gz QGGDTZDARMLYKY-UHFFFAOYSA-N 0 3 268.664 0.991 20 5 CCBDHN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1-n1ncc2c1CCNC2 ZINC001165218299 802797316 /nfs/dbraw/zinc/79/73/16/802797316.db2.gz APPZPHHESSDGHI-UHFFFAOYSA-N 0 3 295.686 0.713 20 5 CCBDHN Cc1nc(N2CC(C)(N(C)C)C2)ncc1[N+](=O)[O-] ZINC001165122257 821015285 /nfs/dbraw/zinc/01/52/85/821015285.db2.gz USJPCSIVLPFHJY-UHFFFAOYSA-N 0 3 251.290 0.834 20 5 CCBDHN C[C@@H](Nc1nccnc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170561417 838098533 /nfs/dbraw/zinc/09/85/33/838098533.db2.gz FBGQMYATFYPPIK-SFYZADRCSA-N 0 3 253.262 0.174 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000716704402 841673815 /nfs/dbraw/zinc/67/38/15/841673815.db2.gz MWTPEFPXMNQUCP-VIFPVBQESA-N 0 3 285.275 0.386 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC(N)=O)c1F ZINC001173176081 842012237 /nfs/dbraw/zinc/01/22/37/842012237.db2.gz XEGAVSKZOXXLPC-SSDOTTSWSA-N 0 3 285.275 0.748 20 5 CCBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC(N[C@@H]2CCOC2)C1 ZINC001179007985 842956229 /nfs/dbraw/zinc/95/62/29/842956229.db2.gz GEQNGUSKCQVIBL-MRVPVSSYSA-N 0 3 280.284 0.126 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CNCCN1C ZINC000686126876 849062956 /nfs/dbraw/zinc/06/29/56/849062956.db2.gz WTLFFKJPBHHZIH-LBPRGKRZSA-N 0 3 278.312 0.745 20 5 CCBDHN CCN1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC001335001450 906513084 /nfs/dbraw/zinc/51/30/84/906513084.db2.gz DRTFVDQWVHVTMJ-SECBINFHSA-N 0 3 281.316 0.874 20 5 CCBDHN CCCc1n[n-]c(C(=O)NCC[NH+]2CC=CC2)c1[N+](=O)[O-] ZINC001318889806 909910996 /nfs/dbraw/zinc/91/09/96/909910996.db2.gz BCOXRYVAMKMXBL-UHFFFAOYSA-N 0 3 293.327 0.872 20 5 CCBDHN NC1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC001331951938 917749737 /nfs/dbraw/zinc/74/97/37/917749737.db2.gz XGTBNOMVBJZMOD-UHFFFAOYSA-N 0 3 279.300 0.446 20 5 CCBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CCCN3CCO)nc1 ZINC001334331444 919504676 /nfs/dbraw/zinc/50/46/76/919504676.db2.gz DJKKSMUKYVGQRO-VXGBXAGGSA-N 0 3 293.327 0.420 20 5 CCBDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCC[N+](=O)[O-] ZINC001352802102 925646434 /nfs/dbraw/zinc/64/64/34/925646434.db2.gz FCENRNZOVCTLEZ-MYJAWHEDSA-N 0 3 271.317 0.718 20 5 CCBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000093333462 349538937 /nfs/dbraw/zinc/53/89/37/349538937.db2.gz QXOMUZBGNLXZDL-ONGXEEELSA-N 0 3 254.290 0.494 20 5 CCBDHN CN1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000358301550 529801171 /nfs/dbraw/zinc/80/11/71/529801171.db2.gz JBAYNDAKWLAZKJ-LLVKDONJSA-N 0 3 252.274 0.468 20 5 CCBDHN CN1CC[C@](O)(CNCc2csc([N+](=O)[O-])c2)C1 ZINC000358167536 529809849 /nfs/dbraw/zinc/80/98/49/529809849.db2.gz MTFNLDKIZOINEZ-NSHDSACASA-N 0 3 271.342 0.813 20 5 CCBDHN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N(C)C1CC1 ZINC000119151590 349921692 /nfs/dbraw/zinc/92/16/92/349921692.db2.gz XYSJXQJITWPZAA-QMMMGPOBSA-N 0 3 281.316 0.541 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(C2)CCCOC3)c1 ZINC000367489985 232358956 /nfs/dbraw/zinc/35/89/56/232358956.db2.gz MPLDIBNBRCBPKI-GFCCVEGCSA-N 0 3 296.327 0.265 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)[C@H]1CCO[C@@H]1C ZINC000602822260 362819176 /nfs/dbraw/zinc/81/91/76/362819176.db2.gz ULWRBHWVHHPJRH-PWSUYJOCSA-N 0 3 298.343 0.571 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN(C)C ZINC000103339437 185829860 /nfs/dbraw/zinc/82/98/60/185829860.db2.gz SYKDAZPJZRJRRQ-UHFFFAOYSA-N 0 3 269.305 0.168 20 5 CCBDHN C[C@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343477364 137137343 /nfs/dbraw/zinc/13/73/43/137137343.db2.gz COROBEPBCJMASP-ONGXEEELSA-N 0 3 281.316 0.390 20 5 CCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN(C2CC2)CC1 ZINC000043285981 348307000 /nfs/dbraw/zinc/30/70/00/348307000.db2.gz NQACOLLXGBJMKX-UHFFFAOYSA-N 0 3 293.327 0.534 20 5 CCBDHN CO[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@](C)(CO)C1 ZINC000602963785 362911326 /nfs/dbraw/zinc/91/13/26/362911326.db2.gz IKRMBJVPBQZHLB-PWSUYJOCSA-N 0 3 284.316 0.263 20 5 CCBDHN CC(C(=O)NCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000049401840 348451797 /nfs/dbraw/zinc/45/17/97/348451797.db2.gz PLICUCGRIAKDKM-QMMMGPOBSA-N 0 3 286.309 0.644 20 5 CCBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCNC1CC1 ZINC000054267092 348548060 /nfs/dbraw/zinc/54/80/60/348548060.db2.gz NBHXBUFTKFIVKK-UHFFFAOYSA-N 0 3 299.352 0.934 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCCC1 ZINC000068467465 348811314 /nfs/dbraw/zinc/81/13/14/348811314.db2.gz CJCHIYPXZPGLEU-UHFFFAOYSA-N 0 3 281.316 0.312 20 5 CCBDHN COc1ccc(CNC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000079929490 349195806 /nfs/dbraw/zinc/19/58/06/349195806.db2.gz NODQQJKZRJJDMV-JTQLQIEISA-N 0 3 279.296 0.972 20 5 CCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000120973526 350016456 /nfs/dbraw/zinc/01/64/56/350016456.db2.gz UASFMSMQLNYUDX-QWRGUYRKSA-N 0 3 295.343 0.590 20 5 CCBDHN C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000271372245 191102904 /nfs/dbraw/zinc/10/29/04/191102904.db2.gz HZUIGAOZPBPBRE-QMMMGPOBSA-N 0 3 281.316 0.541 20 5 CCBDHN CN(C[C@@H]1CCN(C)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152627790 350536115 /nfs/dbraw/zinc/53/61/15/350536115.db2.gz DYNDCFRBQFGSDU-MRVPVSSYSA-N 0 3 267.289 0.342 20 5 CCBDHN C[C@H]1CCCN(CCNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162130239 350737493 /nfs/dbraw/zinc/73/74/93/350737493.db2.gz OEGIOGDMWLGETI-JTQLQIEISA-N 0 3 295.343 0.790 20 5 CCBDHN CN(C)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000171728027 350931280 /nfs/dbraw/zinc/93/12/80/350931280.db2.gz CGMQZPRHAUGDGH-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN CCN(CCNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000171140957 350889182 /nfs/dbraw/zinc/88/91/82/350889182.db2.gz SNIUQNRLTFAPOD-UHFFFAOYSA-N 0 3 281.316 0.392 20 5 CCBDHN CCCCN(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176208877 351161329 /nfs/dbraw/zinc/16/13/29/351161329.db2.gz BFIDYHJIVCEPHM-UHFFFAOYSA-N 0 3 256.306 0.886 20 5 CCBDHN CNC(=O)[C@H](C)CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176350775 351170261 /nfs/dbraw/zinc/17/02/61/351170261.db2.gz HXQNAJQMBHPHPU-SECBINFHSA-N 0 3 269.305 0.105 20 5 CCBDHN CC1(CO)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000186890708 351519296 /nfs/dbraw/zinc/51/92/96/351519296.db2.gz IUGDEGDBRIODJS-UHFFFAOYSA-N 0 3 295.339 0.851 20 5 CCBDHN CCN(CC)CCn1cc(C(=O)OC)cc([N+](=O)[O-])c1=O ZINC000192824701 351799836 /nfs/dbraw/zinc/79/98/36/351799836.db2.gz IWKHJAYBBYOORI-UHFFFAOYSA-N 0 3 297.311 0.885 20 5 CCBDHN COCCNCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000215529248 351936939 /nfs/dbraw/zinc/93/69/39/351936939.db2.gz YXLHEXSUBQXLLD-UHFFFAOYSA-N 0 3 285.329 0.952 20 5 CCBDHN CO[C@@H](CN)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000227365354 352047273 /nfs/dbraw/zinc/04/72/73/352047273.db2.gz SGWZSGVDESCGGE-NSHDSACASA-N 0 3 267.285 0.527 20 5 CCBDHN CC[C@H](C)[C@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000237035401 352238529 /nfs/dbraw/zinc/23/85/29/352238529.db2.gz SYCJGLQMNMYHKG-WPRPVWTQSA-N 0 3 269.305 0.281 20 5 CCBDHN Cc1nn(C)c(NC[C@H]2CSCCN2)c1[N+](=O)[O-] ZINC000603417839 363121870 /nfs/dbraw/zinc/12/18/70/363121870.db2.gz CIGCTLJWHQPFHU-QMMMGPOBSA-N 0 3 271.346 0.754 20 5 CCBDHN CC(C)(N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236792459 352214994 /nfs/dbraw/zinc/21/49/94/352214994.db2.gz AWSJNBXRSLTGLZ-UHFFFAOYSA-N 0 3 266.301 0.860 20 5 CCBDHN CNCCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000237138976 352246181 /nfs/dbraw/zinc/24/61/81/352246181.db2.gz OVOJZWAJLDUQFH-UHFFFAOYSA-N 0 3 287.341 0.709 20 5 CCBDHN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC000271044939 353016703 /nfs/dbraw/zinc/01/67/03/353016703.db2.gz NYCXGVWQEIVVAM-UHFFFAOYSA-N 0 3 294.355 0.783 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CCCCCC2)n1 ZINC000271099246 353022753 /nfs/dbraw/zinc/02/27/53/353022753.db2.gz JTDWKXOWNFZKEB-UHFFFAOYSA-N 0 3 295.343 0.934 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153622338 188092826 /nfs/dbraw/zinc/09/28/26/188092826.db2.gz QGMDBILDCQFGJD-NSHDSACASA-N 0 3 295.343 0.652 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2[C@@H](CO)CC[C@@H]2CO)cc1 ZINC000287347205 353640296 /nfs/dbraw/zinc/64/02/96/353640296.db2.gz LGOFXHUQPOYJNK-ZIAGYGMSSA-N 0 3 280.324 0.955 20 5 CCBDHN CC(C)N1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290471459 353728814 /nfs/dbraw/zinc/72/88/14/353728814.db2.gz ALHMJSOJGUTDJR-VIFPVBQESA-N 0 3 293.327 0.983 20 5 CCBDHN C[C@@H](NCCOCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293681410 353830821 /nfs/dbraw/zinc/83/08/21/353830821.db2.gz KJOJWKORZCIYDJ-SECBINFHSA-N 0 3 269.301 0.837 20 5 CCBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)C1 ZINC000294025810 353861753 /nfs/dbraw/zinc/86/17/53/353861753.db2.gz ZKESNCDSDUPLGR-GFCCVEGCSA-N 0 3 279.300 0.486 20 5 CCBDHN CCO[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304378052 354115358 /nfs/dbraw/zinc/11/53/58/354115358.db2.gz XOLBNSNOGGSPFC-OLZOCXBDSA-N 0 3 298.343 0.653 20 5 CCBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cnc([N+](=O)[O-])n1 ZINC000305286011 354143503 /nfs/dbraw/zinc/14/35/03/354143503.db2.gz DPKJJXOLDFPVCI-GFCCVEGCSA-N 0 3 291.311 0.679 20 5 CCBDHN C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1CO ZINC000305444553 354146485 /nfs/dbraw/zinc/14/64/85/354146485.db2.gz ORTNAJMIFYKOBN-MNOVXSKESA-N 0 3 268.317 0.884 20 5 CCBDHN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)[C@H]1CCOC1 ZINC000330418035 354350764 /nfs/dbraw/zinc/35/07/64/354350764.db2.gz WHGPGKGBXQNRLP-BDAKNGLRSA-N 0 3 254.290 0.843 20 5 CCBDHN C[C@@H](NCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173411664 188853561 /nfs/dbraw/zinc/85/35/61/188853561.db2.gz XHKPDYUZBWCZFL-SECBINFHSA-N 0 3 292.295 0.797 20 5 CCBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138179 358498169 /nfs/dbraw/zinc/49/81/69/358498169.db2.gz XWIJWWJTTNPGGJ-UHFFFAOYSA-N 0 3 296.327 0.640 20 5 CCBDHN CCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000352679367 356051101 /nfs/dbraw/zinc/05/11/01/356051101.db2.gz ZJGZIAOFPUYEQC-DGCLKSJQSA-N 0 3 297.359 0.178 20 5 CCBDHN O=[N+]([O-])c1cnc(NCCCN2CCC(O)CC2)nc1 ZINC000273584807 192215350 /nfs/dbraw/zinc/21/53/50/192215350.db2.gz GIOCFSWCYVBKPA-UHFFFAOYSA-N 0 3 281.316 0.644 20 5 CCBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])nn1C)C1CC1 ZINC000356290454 356741499 /nfs/dbraw/zinc/74/14/99/356741499.db2.gz NAQKNANYBSCMIQ-UHFFFAOYSA-N 0 3 281.316 0.495 20 5 CCBDHN CN(C)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000359968886 356929745 /nfs/dbraw/zinc/92/97/45/356929745.db2.gz SASOUDKUAOCHMJ-ZJUUUORDSA-N 0 3 286.719 0.754 20 5 CCBDHN COC[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000610605164 363585390 /nfs/dbraw/zinc/58/53/90/363585390.db2.gz OCZQAAATICMBKQ-JTQLQIEISA-N 0 3 254.290 0.902 20 5 CCBDHN CCN1CCCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000377936685 357632933 /nfs/dbraw/zinc/63/29/33/357632933.db2.gz DMFQISPGWHDUQM-UHFFFAOYSA-N 0 3 267.333 0.856 20 5 CCBDHN O=[N+]([O-])c1cnccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405283215 357823516 /nfs/dbraw/zinc/82/35/16/357823516.db2.gz WNVFNVQQGRKRCA-VHSXEESVSA-N 0 3 264.285 0.245 20 5 CCBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCN2CCCO)nc1 ZINC000450598790 236098980 /nfs/dbraw/zinc/09/89/80/236098980.db2.gz RFSOKJVKJQGVII-LLVKDONJSA-N 0 3 280.328 0.670 20 5 CCBDHN O=C(CNC1CC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000571074342 358909981 /nfs/dbraw/zinc/90/99/81/358909981.db2.gz KWEOKLPOMHZEKN-UHFFFAOYSA-N 0 3 279.296 0.842 20 5 CCBDHN COCCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCO[C@H]1C ZINC000489450661 236807531 /nfs/dbraw/zinc/80/75/31/236807531.db2.gz PZCAYYCBHCWRBP-RYUDHWBXSA-N 0 3 298.343 0.917 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000588863816 359343029 /nfs/dbraw/zinc/34/30/29/359343029.db2.gz VTISBMXDCBMJGA-NSHDSACASA-N 0 3 281.312 0.176 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCCN2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000590971089 359543636 /nfs/dbraw/zinc/54/36/36/359543636.db2.gz NBRKMSYLRWUPCV-SMDDNHRTSA-N 0 3 296.323 0.649 20 5 CCBDHN Cc1occc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591727868 359648950 /nfs/dbraw/zinc/64/89/50/359648950.db2.gz BXHJIYXRJAPLHK-GFCCVEGCSA-N 0 3 280.284 0.843 20 5 CCBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[NH2+]C1CC1 ZINC000592367240 359826377 /nfs/dbraw/zinc/82/63/77/359826377.db2.gz ZNQFNOYESBKJIG-UHFFFAOYSA-N 0 3 286.313 0.020 20 5 CCBDHN CN(C)CCn1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000611202277 363680225 /nfs/dbraw/zinc/68/02/25/363680225.db2.gz NHLUEFGLODCZCG-UHFFFAOYSA-N 0 3 293.287 0.328 20 5 CCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000611236703 363690432 /nfs/dbraw/zinc/69/04/32/363690432.db2.gz YHSOPSAUVQFYIB-PSASIEDQSA-N 0 3 293.327 0.541 20 5 CCBDHN O=C(Nc1cnc2c(c1)CNCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000592540803 359879408 /nfs/dbraw/zinc/87/94/08/359879408.db2.gz PCCIXCOVFPXCPH-UHFFFAOYSA-N 0 3 288.267 0.611 20 5 CCBDHN O=[N+]([O-])c1cn(C[C@@H]2CNCCO2)nc1C1CC1 ZINC000594694672 360360698 /nfs/dbraw/zinc/36/06/98/360360698.db2.gz ANYCITGNROOFFH-VIFPVBQESA-N 0 3 252.274 0.657 20 5 CCBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1C[C@@H]1CNCCO1 ZINC000594697958 360361826 /nfs/dbraw/zinc/36/18/26/360361826.db2.gz BYWFFJDMHPHABN-VIFPVBQESA-N 0 3 279.252 0.491 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN(CCOCCO)C2CCC2)n1 ZINC000595598798 360592394 /nfs/dbraw/zinc/59/23/94/360592394.db2.gz GPCDVGGWEYQYOL-UHFFFAOYSA-N 0 3 298.343 0.655 20 5 CCBDHN CO[C@]1(CO)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595664483 360612432 /nfs/dbraw/zinc/61/24/32/360612432.db2.gz ZFLJWSVQEKNGJD-GFCCVEGCSA-N 0 3 284.316 0.265 20 5 CCBDHN C[C@@H](O)[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595767648 360647688 /nfs/dbraw/zinc/64/76/88/360647688.db2.gz ZSXQZRCGURUAGZ-ZYHUDNBSSA-N 0 3 281.312 0.602 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@]1(C)CO ZINC000595876381 360688641 /nfs/dbraw/zinc/68/86/41/360688641.db2.gz SLQHWFPGTQCOGF-JQWIXIFHSA-N 0 3 268.317 0.742 20 5 CCBDHN O=c1[nH]ccc(N2CCCN(CCO)CC2)c1[N+](=O)[O-] ZINC000596113799 360798128 /nfs/dbraw/zinc/79/81/28/360798128.db2.gz ZJUKYZGPUABTGO-UHFFFAOYSA-N 0 3 282.300 0.200 20 5 CCBDHN Nc1ccc(N2CC[C@@H](F)[C@H](N)C2)nc1[N+](=O)[O-] ZINC000596021800 360777049 /nfs/dbraw/zinc/77/70/49/360777049.db2.gz NUTIWXVOQYAGAW-HTRCEHHLSA-N 0 3 255.253 0.448 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000596240923 360849029 /nfs/dbraw/zinc/84/90/29/360849029.db2.gz BYBJCMNLBHHDHB-JTQLQIEISA-N 0 3 290.323 0.899 20 5 CCBDHN CCc1nn(C)c(N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000596245309 360851778 /nfs/dbraw/zinc/85/17/78/360851778.db2.gz XHNHOJKKNFQCCE-QMMMGPOBSA-N 0 3 271.321 0.225 20 5 CCBDHN CN1CC[C@@](O)(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596198033 360829855 /nfs/dbraw/zinc/82/98/55/360829855.db2.gz PHYNWFHVHHHPMW-CYBMUJFWSA-N 0 3 294.311 0.172 20 5 CCBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C2 ZINC000597709768 361204950 /nfs/dbraw/zinc/20/49/50/361204950.db2.gz BJIXYAZCELJJDQ-CYBMUJFWSA-N 0 3 293.327 0.876 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN(C)C)c1 ZINC000597654148 361174616 /nfs/dbraw/zinc/17/46/16/361174616.db2.gz OYQLEUJQTJTITJ-JTQLQIEISA-N 0 3 281.312 0.556 20 5 CCBDHN CCCN1CC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000598341651 361391523 /nfs/dbraw/zinc/39/15/23/361391523.db2.gz FIGIXLOJJUPTSB-SECBINFHSA-N 0 3 281.316 0.542 20 5 CCBDHN CC(C)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000598569169 361446617 /nfs/dbraw/zinc/44/66/17/361446617.db2.gz BFMIWWPFFLOEQK-NSHDSACASA-N 0 3 281.316 0.248 20 5 CCBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCOC2(CNC2)C1 ZINC000598916005 361531832 /nfs/dbraw/zinc/53/18/32/361531832.db2.gz SOIZBWQDSDAJJR-UHFFFAOYSA-N 0 3 292.295 0.801 20 5 CCBDHN NC(=O)c1cc(NCCN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599176283 361600460 /nfs/dbraw/zinc/60/04/60/361600460.db2.gz PMILNNBSWMPWBQ-SNVBAGLBSA-N 0 3 294.311 0.172 20 5 CCBDHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000599112115 361576885 /nfs/dbraw/zinc/57/68/85/361576885.db2.gz QBTMYWDMYNXORY-IONNQARKSA-N 0 3 286.313 0.019 20 5 CCBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C ZINC000285831362 388802995 /nfs/dbraw/zinc/80/29/95/388802995.db2.gz VYPBPLUEUHJJHZ-BDAKNGLRSA-N 0 3 281.316 0.873 20 5 CCBDHN CO[C@@H](CN)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000289994844 388899550 /nfs/dbraw/zinc/89/95/50/388899550.db2.gz PAZKRSGEMCUMDE-NSHDSACASA-N 0 3 265.269 0.458 20 5 CCBDHN CCN1CCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290607005 388908685 /nfs/dbraw/zinc/90/86/85/388908685.db2.gz ZXZISQXENGHLCJ-SECBINFHSA-N 0 3 293.327 0.985 20 5 CCBDHN C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1 ZINC000052783391 388927810 /nfs/dbraw/zinc/92/78/10/388927810.db2.gz XVDIQMUMRLTBMB-MRVPVSSYSA-N 0 3 264.285 0.492 20 5 CCBDHN O=[N+]([O-])c1ccccc1OCCN(CCO)CCO ZINC000075714259 388983890 /nfs/dbraw/zinc/98/38/90/388983890.db2.gz PABGLNYOHJBAOJ-UHFFFAOYSA-N 0 3 270.285 0.260 20 5 CCBDHN CN(CCOCC1CC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000088599650 389013552 /nfs/dbraw/zinc/01/35/52/389013552.db2.gz ZDTVFKMMOMSBFV-CYBMUJFWSA-N 0 3 298.343 0.511 20 5 CCBDHN CN1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301926262 389060219 /nfs/dbraw/zinc/06/02/19/389060219.db2.gz MVUPFEQLGNXNOZ-UHFFFAOYSA-N 0 3 276.300 0.779 20 5 CCBDHN COCCNCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000313285943 389112555 /nfs/dbraw/zinc/11/25/55/389112555.db2.gz YGUFSFFJPSXYFN-WAYWQWQTSA-N 0 3 293.323 0.960 20 5 CCBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H]1CNCCO1 ZINC000313274293 389112569 /nfs/dbraw/zinc/11/25/69/389112569.db2.gz UGNLEWNSGKELHD-DSYXLKISSA-N 0 3 291.307 0.713 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCCN1C ZINC000195449121 389126455 /nfs/dbraw/zinc/12/64/55/389126455.db2.gz MLHUGOVGXHBGOF-NSHDSACASA-N 0 3 295.343 0.700 20 5 CCBDHN C[C@@H](O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000136330772 389266170 /nfs/dbraw/zinc/26/61/70/389266170.db2.gz ACBHTTQVTCMBDE-MNOVXSKESA-N 0 3 268.317 0.884 20 5 CCBDHN C[C@@H](CN1CCCCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000159900563 389375939 /nfs/dbraw/zinc/37/59/39/389375939.db2.gz XOGSKMVFZQXTCO-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN C[C@@H](CN1CCCCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159900563 389375942 /nfs/dbraw/zinc/37/59/42/389375942.db2.gz XOGSKMVFZQXTCO-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN O=[N+]([O-])c1ccc(OCCCN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000278816627 389563138 /nfs/dbraw/zinc/56/31/38/389563138.db2.gz PLKMPEXXGZEUTF-STQMWFEESA-N 0 3 282.296 0.401 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CN(C)C)c1 ZINC000178726924 389617216 /nfs/dbraw/zinc/61/72/16/389617216.db2.gz WFFKKIYYCIICLL-CQSZACIVSA-N 0 3 295.339 0.946 20 5 CCBDHN Cc1ccc(CNC[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414956412 389647987 /nfs/dbraw/zinc/64/79/87/389647987.db2.gz AHKCXQWDPLSGHH-CYBMUJFWSA-N 0 3 278.356 0.896 20 5 CCBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCOC1 ZINC000352193340 389768978 /nfs/dbraw/zinc/76/89/78/389768978.db2.gz CGSBTSHYIYAANW-SNVBAGLBSA-N 0 3 254.290 0.902 20 5 CCBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000397812038 389779589 /nfs/dbraw/zinc/77/95/89/389779589.db2.gz YXEYVCKQOBUDPG-UHFFFAOYSA-N 0 3 279.300 0.396 20 5 CCBDHN O=C(COC1CNC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000430502748 389802899 /nfs/dbraw/zinc/80/28/99/389802899.db2.gz JKEAAUJQKZMSKY-UHFFFAOYSA-N 0 3 291.307 0.468 20 5 CCBDHN COC[C@@H](NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCO1 ZINC000434792567 389946622 /nfs/dbraw/zinc/94/66/22/389946622.db2.gz HPTUAWTUIMAGSK-NEPJUHHUSA-N 0 3 284.316 0.575 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-]C[C@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000447242836 389948679 /nfs/dbraw/zinc/94/86/79/389948679.db2.gz DNXWEYVVSIFEIT-JTQLQIEISA-N 0 3 299.352 0.919 20 5 CCBDHN C[N@@H+]1CC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000596262935 390369039 /nfs/dbraw/zinc/36/90/39/390369039.db2.gz JIXKMEMKXOZIBC-SCZZXKLOSA-N 0 3 264.285 0.836 20 5 CCBDHN C[N@H+]1CC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000596262935 390369042 /nfs/dbraw/zinc/36/90/42/390369042.db2.gz JIXKMEMKXOZIBC-SCZZXKLOSA-N 0 3 264.285 0.836 20 5 CCBDHN C[C@@H](CN1CCCCC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000578587475 390892937 /nfs/dbraw/zinc/89/29/37/390892937.db2.gz XEYLHBVRCASJHE-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356641057 144022070 /nfs/dbraw/zinc/02/20/70/144022070.db2.gz YFHYDGXCFLHRDC-NXEZZACHSA-N 0 3 293.327 0.637 20 5 CCBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356739910 144028849 /nfs/dbraw/zinc/02/88/49/144028849.db2.gz GZQSXRQNXGDZSE-NXEZZACHSA-N 0 3 295.343 0.787 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCN1C ZINC000357042792 144053330 /nfs/dbraw/zinc/05/33/30/144053330.db2.gz SJXLMPLKYIJZCM-DTWKUNHWSA-N 0 3 281.316 0.541 20 5 CCBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CNC1 ZINC000357485686 144095770 /nfs/dbraw/zinc/09/57/70/144095770.db2.gz PWESRCAWKGQPHR-UHFFFAOYSA-N 0 3 299.352 0.750 20 5 CCBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cn[nH]c1 ZINC000358802764 144180457 /nfs/dbraw/zinc/18/04/57/144180457.db2.gz DTEYJXCGHHKEJW-KWQFWETISA-N 0 3 280.288 0.226 20 5 CCBDHN Cc1ccc(S(=O)(=O)N[C@H]2CCCNC2)cc1[N+](=O)[O-] ZINC000071397259 176150718 /nfs/dbraw/zinc/15/07/18/176150718.db2.gz SFNHWOMRJOXHLQ-JTQLQIEISA-N 0 3 299.352 0.934 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@H]2CSCCN2)nc1 ZINC000603421272 420493778 /nfs/dbraw/zinc/49/37/78/420493778.db2.gz YZPMTXXYJSLFCV-ZETCQYMHSA-N 0 3 255.303 0.502 20 5 CCBDHN C[C@@H]1CNCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000420221412 274376370 /nfs/dbraw/zinc/37/63/70/274376370.db2.gz ZIFALUYHVGBASO-MRVPVSSYSA-N 0 3 262.273 0.436 20 5 CCBDHN COCCNCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000092509473 277533536 /nfs/dbraw/zinc/53/35/36/277533536.db2.gz JLICBNDLBMKMSJ-UHFFFAOYSA-N 0 3 281.312 0.490 20 5 CCBDHN C[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040858295 279392570 /nfs/dbraw/zinc/39/25/70/279392570.db2.gz GHQCVEGHHWIIIK-JTQLQIEISA-N 0 3 278.312 0.591 20 5 CCBDHN Cc1sc(C(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000583262058 329407113 /nfs/dbraw/zinc/40/71/13/329407113.db2.gz RGTQWBGELKXOGZ-VIFPVBQESA-N 0 3 298.368 0.680 20 5 CCBDHN Cc1nc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000565786084 334597357 /nfs/dbraw/zinc/59/73/57/334597357.db2.gz IOCLNKZJDAGFMQ-NXEZZACHSA-N 0 3 291.311 0.046 20 5 CCBDHN CN(C)[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000577210787 335323181 /nfs/dbraw/zinc/32/31/81/335323181.db2.gz BBTZBVFIGPQUSU-RYUDHWBXSA-N 0 3 279.296 0.342 20 5 CCBDHN C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)CN1 ZINC000417916196 534313631 /nfs/dbraw/zinc/31/36/31/534313631.db2.gz URGZCUIJXBUAAC-NXEZZACHSA-N 0 3 296.331 0.183 20 5 CCBDHN COC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000183484687 522738562 /nfs/dbraw/zinc/73/85/62/522738562.db2.gz SXYJXZXPRQMTBY-LBPRGKRZSA-N 0 3 281.312 0.771 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](CN)OC ZINC000353187711 525461009 /nfs/dbraw/zinc/46/10/09/525461009.db2.gz SGYRFMZMFXRJPR-LLVKDONJSA-N 0 3 283.284 0.193 20 5 CCBDHN O=C(NC[C@H]1CNCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000157368958 526622941 /nfs/dbraw/zinc/62/29/41/526622941.db2.gz JFHXHCGPGSIOSX-LLVKDONJSA-N 0 3 280.284 0.705 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000358061718 536480672 /nfs/dbraw/zinc/48/06/72/536480672.db2.gz WBNSOLKKRHUMKD-ZDUSSCGKSA-N 0 3 279.296 0.391 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCO[C@H]1C1CC1 ZINC000364781150 527486562 /nfs/dbraw/zinc/48/65/62/527486562.db2.gz GIWDWDNCNAFAHG-JSGCOSHPSA-N 0 3 293.323 0.914 20 5 CCBDHN CC(C)N(CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCC(=O)N1 ZINC000412088859 528915887 /nfs/dbraw/zinc/91/58/87/528915887.db2.gz SQBXKUCBSORZTE-LLVKDONJSA-N 0 3 295.343 0.780 20 5 CCBDHN C[C@@H]1CCCN1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000742424999 581781408 /nfs/dbraw/zinc/78/14/08/581781408.db2.gz JGSJBSHJRSZWBN-MRVPVSSYSA-N 0 3 266.305 0.863 20 5 CCBDHN C[C@@H](O)CN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585268 582081912 /nfs/dbraw/zinc/08/19/12/582081912.db2.gz STXHPPXLBFSWEO-SKDRFNHKSA-N 0 3 254.286 0.941 20 5 CCBDHN CNC(=O)[C@H](C)CN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592022 582082805 /nfs/dbraw/zinc/08/28/05/582082805.db2.gz OKVREUDXIZMVDY-MFKMUULPSA-N 0 3 295.339 0.942 20 5 CCBDHN COc1cc(C[C@@H](CO)CNCC[N+](=O)[O-])cc(OC)c1 ZINC000905364499 617195539 /nfs/dbraw/zinc/19/55/39/617195539.db2.gz KFYVJCKGXAELHH-GFCCVEGCSA-N 0 3 298.339 0.721 20 5 CCBDHN CC(C)CN1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813113539 614118059 /nfs/dbraw/zinc/11/80/59/614118059.db2.gz FQAZHTPXEUIXLL-UWVGGRQHSA-N 0 3 272.301 0.699 20 5 CCBDHN CCC(=O)N1CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813103557 614626357 /nfs/dbraw/zinc/62/63/57/614626357.db2.gz QKIFEAOZBGGORW-DTWKUNHWSA-N 0 3 258.274 0.453 20 5 CCBDHN CCN(CCOCCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000800428153 615057185 /nfs/dbraw/zinc/05/71/85/615057185.db2.gz NWMDFKIVCWRMRV-CQSZACIVSA-N 0 3 298.339 0.959 20 5 CCBDHN CCN1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910283154 615121385 /nfs/dbraw/zinc/12/13/85/615121385.db2.gz KPGVTCASRRWRFK-VIFPVBQESA-N 0 3 281.316 0.874 20 5 CCBDHN C[NH+](C)C[C@@H](CO)[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000853624012 615925740 /nfs/dbraw/zinc/92/57/40/615925740.db2.gz HDUUESYIRCEGSD-QMMMGPOBSA-N 0 3 284.272 0.837 20 5 CCBDHN CN(C)C[C@@H](CO)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000853624012 615925741 /nfs/dbraw/zinc/92/57/41/615925741.db2.gz HDUUESYIRCEGSD-QMMMGPOBSA-N 0 3 284.272 0.837 20 5 CCBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000874831034 616215865 /nfs/dbraw/zinc/21/58/65/616215865.db2.gz XEZRLDWRUFIKIY-UWVGGRQHSA-N 0 3 279.300 0.627 20 5 CCBDHN CO[C@H]1CCn2cc(C(=O)OCC(C)[N+](=O)[O-])nc2C1 ZINC000870377284 617107456 /nfs/dbraw/zinc/10/74/56/617107456.db2.gz PMTSBCLTMWPPSZ-IUCAKERBSA-N 0 3 283.284 0.666 20 5 CCBDHN CC(COC(=O)c1cn(C(C)(C)C)nn1)[N+](=O)[O-] ZINC000813110169 624654736 /nfs/dbraw/zinc/65/47/36/624654736.db2.gz UFCNGBGQMLPAOR-SSDOTTSWSA-N 0 3 256.262 0.855 20 5 CCBDHN O=C(N[C@H]1C[C@@H](NCc2ccon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063540 624870008 /nfs/dbraw/zinc/87/00/08/624870008.db2.gz DDMPQSYAMOAMHU-LMLFDSFASA-N 0 3 280.284 0.077 20 5 CCBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)C2(O)CCC2)c1 ZINC000905067279 634795922 /nfs/dbraw/zinc/79/59/22/634795922.db2.gz XQJQQOLQTRWGSY-LBPRGKRZSA-N 0 3 266.297 0.960 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897216409 632419392 /nfs/dbraw/zinc/41/93/92/632419392.db2.gz QLHHDEBHNJKCMN-WDEREUQCSA-N 0 3 295.343 0.364 20 5 CCBDHN CC(COC(=O)[C@@H](C)n1nnnc1C(C)(C)C)[N+](=O)[O-] ZINC000813110452 641023274 /nfs/dbraw/zinc/02/32/74/641023274.db2.gz AYNYCUYDESLZFN-HTQZYQBOSA-N 0 3 285.304 0.740 20 5 CCBDHN CC(COC(=O)c1cccc(-n2cnnn2)c1)[N+](=O)[O-] ZINC000813109881 641023663 /nfs/dbraw/zinc/02/36/63/641023663.db2.gz PXCITQZFGIAUIA-MRVPVSSYSA-N 0 3 277.240 0.484 20 5 CCBDHN Cc1nn(C)c(-n2cccn2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111232 641024993 /nfs/dbraw/zinc/02/49/93/641024993.db2.gz DJBZIRQBCFKUSE-MRVPVSSYSA-N 0 3 293.283 0.736 20 5 CCBDHN O=C(NCCN1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823974161 641796775 /nfs/dbraw/zinc/79/67/75/641796775.db2.gz GCRFQWGZFZFQHC-CYBMUJFWSA-N 0 3 293.323 0.840 20 5 CCBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nn2c1OCCC2 ZINC000835454567 642663296 /nfs/dbraw/zinc/66/32/96/642663296.db2.gz KMVZSKAXJRNLCN-ZETCQYMHSA-N 0 3 269.257 0.796 20 5 CCBDHN CO[C@](C)(C(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000851036393 643828979 /nfs/dbraw/zinc/82/89/79/643828979.db2.gz IYEYATKUDZTELI-QPUJVOFHSA-N 0 3 291.300 0.942 20 5 CCBDHN C[C@H](NC[C@H]1COCCN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000863545049 645105782 /nfs/dbraw/zinc/10/57/82/645105782.db2.gz GZUOTMBIZHZBTQ-ONGXEEELSA-N 0 3 280.328 0.816 20 5 CCBDHN Cc1c(CN[C@H](CO)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000873130276 646352299 /nfs/dbraw/zinc/35/22/99/646352299.db2.gz CWCYQJOEHYSGMD-MWLCHTKSSA-N 0 3 254.286 0.735 20 5 CCBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1c([N+](=O)[O-])cnn1C ZINC001122181319 799163029 /nfs/dbraw/zinc/16/30/29/799163029.db2.gz PMYQIUBFGZOYCZ-VGMNWLOBSA-N 0 3 281.316 0.539 20 5 CCBDHN C[C@@H]1CN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000839489125 800026403 /nfs/dbraw/zinc/02/64/03/800026403.db2.gz VODUSWFPXBBUQG-DDHJBXDOSA-N 0 3 285.344 0.267 20 5 CCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2cnc(CN)c2)n1 ZINC001154910609 800868514 /nfs/dbraw/zinc/86/85/14/800868514.db2.gz KERVSQVWARJLPP-UHFFFAOYSA-N 0 3 291.271 0.296 20 5 CCBDHN Cc1ncc([N+](=O)[O-])c(NC(=N)N2CCN(C)CC2)n1 ZINC001157914502 801518108 /nfs/dbraw/zinc/51/81/08/801518108.db2.gz GJLGCYRLOHALEG-UHFFFAOYSA-N 0 3 279.304 0.287 20 5 CCBDHN COC(=O)c1ccnc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001158350722 801625694 /nfs/dbraw/zinc/62/56/94/801625694.db2.gz NRCATZNABGPRQO-ZETCQYMHSA-N 0 3 291.267 0.982 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc([C@H](C)N)n2)n1 ZINC001158357251 801626583 /nfs/dbraw/zinc/62/65/83/801626583.db2.gz YBBSTTDZXCLGKO-ZETCQYMHSA-N 0 3 291.267 0.982 20 5 CCBDHN O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]c2cc(F)cc(F)c2[N+](=O)[O-])N1 ZINC001163248339 802517455 /nfs/dbraw/zinc/51/74/55/802517455.db2.gz GYEWVVBYKOPEJE-JOYOIKCWSA-N 0 3 298.249 0.863 20 5 CCBDHN O=C1C[C@H]2[NH2+]CC[C@@]2([N-]c2cc(F)cc(F)c2[N+](=O)[O-])N1 ZINC001163248337 802517488 /nfs/dbraw/zinc/51/74/88/802517488.db2.gz GYEWVVBYKOPEJE-BXKDBHETSA-N 0 3 298.249 0.863 20 5 CCBDHN COC(=O)[C@@H](CO)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001163802368 802615535 /nfs/dbraw/zinc/61/55/35/802615535.db2.gz JDFVJMCMFKVLCD-SNVBAGLBSA-N 0 3 281.268 0.144 20 5 CCBDHN NC(=O)C1(NC2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC001205312660 803134085 /nfs/dbraw/zinc/13/40/85/803134085.db2.gz WMFDDLJBDLQKSD-UHFFFAOYSA-N 0 3 265.273 0.102 20 5 CCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccccc2[n-]1 ZINC001225583544 805142967 /nfs/dbraw/zinc/14/29/67/805142967.db2.gz RWGQZGCAKONQOR-SNVBAGLBSA-N 0 3 278.332 0.926 20 5 CCBDHN C[C@H](CN(C)C)Nc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001163776445 820335638 /nfs/dbraw/zinc/33/56/38/820335638.db2.gz AIVCOAGVBPTMNO-MRVPVSSYSA-N 0 3 254.290 0.656 20 5 CCBDHN O=c1[nH][n-]cc1CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967851 836088314 /nfs/dbraw/zinc/08/83/14/836088314.db2.gz TXSPMWSXVJVRJE-OUAUKWLOSA-N 0 3 268.317 0.533 20 5 CCBDHN O=C1CC[C@@H]2CN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035243 836110714 /nfs/dbraw/zinc/11/07/14/836110714.db2.gz JPZXAXOPAWEPPK-QJPTWQEYSA-N 0 3 267.329 0.738 20 5 CCBDHN C[C@H](N)c1ccn(-c2cc([N+](=O)[O-])c(=O)n(C)c2)n1 ZINC001169231825 836167494 /nfs/dbraw/zinc/16/74/94/836167494.db2.gz UGWLFRXMDXPDGN-ZETCQYMHSA-N 0 3 263.257 0.499 20 5 CCBDHN COc1ncc([N+](=O)[O-])cc1-n1nncc1CN ZINC001169310307 836210955 /nfs/dbraw/zinc/21/09/55/836210955.db2.gz VFQBDWYMJNZFPE-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN COc1nc(C)nc(N[C@@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170560913 838102411 /nfs/dbraw/zinc/10/24/11/838102411.db2.gz AYKNDEXVULNPTL-CBAPKCEASA-N 0 3 297.315 0.491 20 5 CCBDHN COc1ccc([N+](=O)[O-])nc1N[C@H](C)[C@@H]1CNCCO1 ZINC001170567437 838123191 /nfs/dbraw/zinc/12/31/91/838123191.db2.gz JUSREZQQRRQNDD-SCZZXKLOSA-N 0 3 282.300 0.787 20 5 CCBDHN CNc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170566731 838128785 /nfs/dbraw/zinc/12/87/85/838128785.db2.gz AZEUONPWJNFYRR-KWQFWETISA-N 0 3 281.316 0.820 20 5 CCBDHN COc1cnc(N[C@@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170574863 838161373 /nfs/dbraw/zinc/16/13/73/838161373.db2.gz XPUJFZYIMKGLAY-WPRPVWTQSA-N 0 3 282.300 0.787 20 5 CCBDHN CC(COC(=O)Cn1cc(Br)cn1)[N+](=O)[O-] ZINC000813102750 838677400 /nfs/dbraw/zinc/67/74/00/838677400.db2.gz USBZPVNVEFLGBW-LURJTMIESA-N 0 3 292.089 0.854 20 5 CCBDHN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC001135519876 839270581 /nfs/dbraw/zinc/27/05/81/839270581.db2.gz DJLWCYCLJZBJLD-UHFFFAOYSA-N 0 3 290.283 0.233 20 5 CCBDHN CN(CCO)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001187593283 844738026 /nfs/dbraw/zinc/73/80/26/844738026.db2.gz GQJQHMILEMTHQM-UHFFFAOYSA-N 0 3 256.262 0.031 20 5 CCBDHN COCCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090519814 349438729 /nfs/dbraw/zinc/43/87/29/349438729.db2.gz JJDDKLYEBSMFIB-UHFFFAOYSA-N 0 3 269.301 0.725 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599937131 361835353 /nfs/dbraw/zinc/83/53/53/361835353.db2.gz FCYGPBRYUIANPZ-ZJUUUORDSA-N 0 3 294.311 0.204 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599937131 361835357 /nfs/dbraw/zinc/83/53/57/361835357.db2.gz FCYGPBRYUIANPZ-ZJUUUORDSA-N 0 3 294.311 0.204 20 5 CCBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599937131 361835362 /nfs/dbraw/zinc/83/53/62/361835362.db2.gz FCYGPBRYUIANPZ-ZJUUUORDSA-N 0 3 294.311 0.204 20 5 CCBDHN CN(C)[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000103945222 349704496 /nfs/dbraw/zinc/70/44/96/349704496.db2.gz MCNJEAORFSQMRX-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN Cc1ccc(CNC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600677008 362030647 /nfs/dbraw/zinc/03/06/47/362030647.db2.gz AMWSFSVUMPLWFV-LBPRGKRZSA-N 0 3 265.313 0.981 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000126386301 187235888 /nfs/dbraw/zinc/23/58/88/187235888.db2.gz FXGVVIMJXYNENE-QMMMGPOBSA-N 0 3 266.301 0.857 20 5 CCBDHN Cc1nn(C)c(NC[C@@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000114708817 282274882 /nfs/dbraw/zinc/27/48/82/282274882.db2.gz NAQNYCKKHYGGRY-LLVKDONJSA-N 0 3 297.359 0.895 20 5 CCBDHN CN1CC[C@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000358141707 529809071 /nfs/dbraw/zinc/80/90/71/529809071.db2.gz QFVGRNQQOUINMO-ZDUSSCGKSA-N 0 3 294.311 0.783 20 5 CCBDHN Cc1cccc(C(=O)NC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC000157350721 290710913 /nfs/dbraw/zinc/71/09/13/290710913.db2.gz HXNLEICDVKMEQF-JTQLQIEISA-N 0 3 279.296 0.621 20 5 CCBDHN CN(C)C[C@@H](CO)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601589220 362319978 /nfs/dbraw/zinc/31/99/78/362319978.db2.gz ROAMZQWMLXERCY-QMMMGPOBSA-N 0 3 285.275 0.386 20 5 CCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119159593 349921655 /nfs/dbraw/zinc/92/16/55/349921655.db2.gz SHZSPWNOKGPLBU-IUCAKERBSA-N 0 3 281.316 0.730 20 5 CCBDHN CN(C)CCN(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000085362145 179033722 /nfs/dbraw/zinc/03/37/22/179033722.db2.gz MPKQTJQCCHZNMZ-UHFFFAOYSA-N 0 3 266.301 0.811 20 5 CCBDHN COC[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000602823644 362819942 /nfs/dbraw/zinc/81/99/42/362819942.db2.gz YAKVOKXIONQNBA-NEPJUHHUSA-N 0 3 298.343 0.883 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CCC(=O)N(C)C1 ZINC000602840058 362829230 /nfs/dbraw/zinc/82/92/30/362829230.db2.gz LCINPDKXQPCIGA-NSHDSACASA-N 0 3 295.343 0.652 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CNCCO1 ZINC000261579802 137010033 /nfs/dbraw/zinc/01/00/33/137010033.db2.gz FAKAYCPYXHFSBO-SECBINFHSA-N 0 3 269.305 0.520 20 5 CCBDHN CN(c1ccc([N+](=O)[O-])nc1)C1CCN(CCO)CC1 ZINC000344429590 137194214 /nfs/dbraw/zinc/19/42/14/137194214.db2.gz IMWCJQIDDVFJTB-UHFFFAOYSA-N 0 3 280.328 0.883 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 ZINC000032758555 348138238 /nfs/dbraw/zinc/13/82/38/348138238.db2.gz UMEZLJXROMMTID-CYBMUJFWSA-N 0 3 296.323 0.791 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)CO ZINC000295149078 199373035 /nfs/dbraw/zinc/37/30/35/199373035.db2.gz CYDBQFSWKODEBM-UHFFFAOYSA-N 0 3 283.328 0.707 20 5 CCBDHN O=C(CN1CCNCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676256 348241220 /nfs/dbraw/zinc/24/12/20/348241220.db2.gz NGYJYKMXBBCMMS-UHFFFAOYSA-N 0 3 292.339 0.159 20 5 CCBDHN CC[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040835096 348244282 /nfs/dbraw/zinc/24/42/82/348244282.db2.gz IINOTYJNOZLUIR-LLVKDONJSA-N 0 3 293.327 0.376 20 5 CCBDHN CC1(F)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602993159 362926885 /nfs/dbraw/zinc/92/68/85/362926885.db2.gz RTVCPBPIRISZHJ-LLVKDONJSA-N 0 3 286.307 0.976 20 5 CCBDHN O=[N+]([O-])c1ccccc1OCCN1[C@H](CO)CC[C@H]1CO ZINC000347313095 137330743 /nfs/dbraw/zinc/33/07/43/137330743.db2.gz QHFDQSKIZORVOW-RYUDHWBXSA-N 0 3 296.323 0.791 20 5 CCBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000055197925 348572691 /nfs/dbraw/zinc/57/26/91/348572691.db2.gz GPUHPOPNAFYPTK-UHFFFAOYSA-N 0 3 295.343 0.242 20 5 CCBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCO)C2)nc1 ZINC000072664928 348926679 /nfs/dbraw/zinc/92/66/79/348926679.db2.gz CLWLHVHCUBNRDG-SNVBAGLBSA-N 0 3 266.301 0.858 20 5 CCBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000076029356 349064283 /nfs/dbraw/zinc/06/42/83/349064283.db2.gz NWKFJTUVTSNTJF-SNVBAGLBSA-N 0 3 296.327 0.764 20 5 CCBDHN Cc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000123183953 350073157 /nfs/dbraw/zinc/07/31/57/350073157.db2.gz QEIFKOTWXJBPLN-VIFPVBQESA-N 0 3 285.325 0.543 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)C)c1 ZINC000129298173 350209917 /nfs/dbraw/zinc/20/99/17/350209917.db2.gz XUWCSKQNZMNCKJ-UHFFFAOYSA-N 0 3 267.285 0.895 20 5 CCBDHN C[C@H](CO)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000163161607 350761611 /nfs/dbraw/zinc/76/16/11/350761611.db2.gz KTQGHCTYKVUGTO-PWSUYJOCSA-N 0 3 284.312 0.647 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2CO)n1 ZINC000176207387 351161378 /nfs/dbraw/zinc/16/13/78/351161378.db2.gz IPQKLTDNPKUKEP-SNVBAGLBSA-N 0 3 254.290 0.638 20 5 CCBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCO)C2)nc1 ZINC000177734968 351211510 /nfs/dbraw/zinc/21/15/10/351211510.db2.gz DTZUJEBPIKSCQP-VIFPVBQESA-N 0 3 252.274 0.468 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000181536892 351324658 /nfs/dbraw/zinc/32/46/58/351324658.db2.gz WZJFNUNGKXBOOH-GFCCVEGCSA-N 0 3 296.323 0.791 20 5 CCBDHN COC1(CO)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000618551370 366044646 /nfs/dbraw/zinc/04/46/46/366044646.db2.gz YNYOAWBCMINEQA-UHFFFAOYSA-N 0 3 284.316 0.265 20 5 CCBDHN CN(C)CCOCCNc1ccc([N+](=O)[O-])cn1 ZINC000226738050 352033166 /nfs/dbraw/zinc/03/31/66/352033166.db2.gz UKFHAWUZKBEURH-UHFFFAOYSA-N 0 3 254.290 0.980 20 5 CCBDHN Cc1cc(NC[C@H]2CSCCN2)ncc1[N+](=O)[O-] ZINC000603418234 363122802 /nfs/dbraw/zinc/12/28/02/363122802.db2.gz FAWQOMXQUMRRSI-VIFPVBQESA-N 0 3 268.342 0.837 20 5 CCBDHN Cn1cc(CN2CCNC[C@](C)(F)C2)c([N+](=O)[O-])n1 ZINC000603429050 363128040 /nfs/dbraw/zinc/12/80/40/363128040.db2.gz LIQCRSWRVHRGRC-NSHDSACASA-N 0 3 271.296 0.462 20 5 CCBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000246063094 352346607 /nfs/dbraw/zinc/34/66/07/352346607.db2.gz YRJJKVDINUFNKO-NXEZZACHSA-N 0 3 295.343 0.787 20 5 CCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1O ZINC000249549517 352495773 /nfs/dbraw/zinc/49/57/73/352495773.db2.gz HJBQLUUNSBUOHG-GXSJLCMTSA-N 0 3 254.290 0.494 20 5 CCBDHN C[C@H](O)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272597803 353077927 /nfs/dbraw/zinc/07/79/27/353077927.db2.gz QKLLOKSOCNKISO-UWVGGRQHSA-N 0 3 254.290 0.494 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CN(C)C ZINC000152997621 188059174 /nfs/dbraw/zinc/05/91/74/188059174.db2.gz YLWZDDJEZKESJX-AWEZNQCLSA-N 0 3 295.339 0.946 20 5 CCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000283204400 353489244 /nfs/dbraw/zinc/48/92/44/353489244.db2.gz YPWJTPUZGMHZEC-QMMMGPOBSA-N 0 3 299.308 0.502 20 5 CCBDHN C[C@H](O)CN(CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289835751 353688971 /nfs/dbraw/zinc/68/89/71/353688971.db2.gz OUOZCAKQSNZABW-GXFFZTMASA-N 0 3 284.312 0.303 20 5 CCBDHN CN(C)[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000161516317 188532463 /nfs/dbraw/zinc/53/24/63/188532463.db2.gz FHKZGVMPZNSGJD-JTQLQIEISA-N 0 3 296.331 0.137 20 5 CCBDHN CN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299251584 354002497 /nfs/dbraw/zinc/00/24/97/354002497.db2.gz PCEOOCAPJTZVRO-QMMMGPOBSA-N 0 3 279.300 0.595 20 5 CCBDHN CN(C[C@H]1CCCN1C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000331247743 354504816 /nfs/dbraw/zinc/50/48/16/354504816.db2.gz VVESDZCNOSHQAO-MRVPVSSYSA-N 0 3 267.289 0.484 20 5 CCBDHN CS[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1N(C)C ZINC000332637894 354708674 /nfs/dbraw/zinc/70/86/74/354708674.db2.gz INXOXFDEKZNVSO-GXSJLCMTSA-N 0 3 299.400 0.806 20 5 CCBDHN CN1CCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000338763138 355414866 /nfs/dbraw/zinc/41/48/66/355414866.db2.gz SGABKJJNONGCIT-SNVBAGLBSA-N 0 3 295.343 0.737 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000338763137 355415092 /nfs/dbraw/zinc/41/50/92/355415092.db2.gz SGABKJJNONGCIT-JTQLQIEISA-N 0 3 295.343 0.737 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC1(O)CCC1 ZINC000353488111 356235763 /nfs/dbraw/zinc/23/57/63/356235763.db2.gz NPSRDKAYQRPJBT-UHFFFAOYSA-N 0 3 281.312 0.603 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCN1CCCO ZINC000450593564 236097240 /nfs/dbraw/zinc/09/72/40/236097240.db2.gz JDEMKZDGCBEJRX-JTQLQIEISA-N 0 3 283.332 0.587 20 5 CCBDHN Cc1nn(C)c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408130593 357930528 /nfs/dbraw/zinc/93/05/28/357930528.db2.gz VTERLYMJICLVBC-WCBMZHEXSA-N 0 3 295.343 0.849 20 5 CCBDHN CCN(CC)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000439147893 358237049 /nfs/dbraw/zinc/23/70/49/358237049.db2.gz PNMNIHVJLOGNAV-UHFFFAOYSA-N 0 3 296.327 0.215 20 5 CCBDHN Cn1c(C(=O)N[C@H](CO)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000590371542 359445084 /nfs/dbraw/zinc/44/50/84/359445084.db2.gz LATMSIPEMKTMFW-JTQLQIEISA-N 0 3 296.327 0.120 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN(C)C ZINC000590369651 359445526 /nfs/dbraw/zinc/44/55/26/359445526.db2.gz JBQUQBQHYLHVMO-VIFPVBQESA-N 0 3 297.311 0.256 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590443558 359466543 /nfs/dbraw/zinc/46/65/43/359466543.db2.gz DNJNOVNDSPGMJR-BXKDBHETSA-N 0 3 276.296 0.766 20 5 CCBDHN CCc1n[nH]c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590444424 359467219 /nfs/dbraw/zinc/46/72/19/359467219.db2.gz LOIYGABROVTVIQ-SCZZXKLOSA-N 0 3 293.327 0.656 20 5 CCBDHN CCc1[nH]nc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590444424 359467220 /nfs/dbraw/zinc/46/72/20/359467220.db2.gz LOIYGABROVTVIQ-SCZZXKLOSA-N 0 3 293.327 0.656 20 5 CCBDHN C[C@@H]1[C@H](O)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000590762217 359519358 /nfs/dbraw/zinc/51/93/58/359519358.db2.gz CGYQLSLYCDHYET-NTZNESFSSA-N 0 3 296.323 0.790 20 5 CCBDHN N[C@@H]1C[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000591637156 359623474 /nfs/dbraw/zinc/62/34/74/359623474.db2.gz VKLLNCIFAYCQSS-VHSXEESVSA-N 0 3 279.300 0.302 20 5 CCBDHN CC1(C)CNCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000591678152 359636743 /nfs/dbraw/zinc/63/67/43/359636743.db2.gz KURJXQQWPXJENS-UHFFFAOYSA-N 0 3 267.289 0.002 20 5 CCBDHN CC1(C)CNCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000591678057 359636828 /nfs/dbraw/zinc/63/68/28/359636828.db2.gz HPXJCTYDGGIGIQ-UHFFFAOYSA-N 0 3 267.289 0.002 20 5 CCBDHN O=[N+]([O-])c1cc(-c2nc([C@@H]3CCCN3)no2)[nH]n1 ZINC000592356074 359823223 /nfs/dbraw/zinc/82/32/23/359823223.db2.gz PPZUQWWYAVRWDT-YFKPBYRVSA-N 0 3 250.218 0.792 20 5 CCBDHN COCC1(N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000611178586 363673802 /nfs/dbraw/zinc/67/38/02/363673802.db2.gz GRHBGKAOJHZLBF-LLVKDONJSA-N 0 3 284.316 0.263 20 5 CCBDHN CCCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C)C1 ZINC000592831320 359947221 /nfs/dbraw/zinc/94/72/21/359947221.db2.gz KSEXSNMHIVAZPZ-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN C[NH+](C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593523582 360106423 /nfs/dbraw/zinc/10/64/23/360106423.db2.gz PQSSBSUQDJTNIG-UHFFFAOYSA-N 0 3 288.329 0.220 20 5 CCBDHN C[C@@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000177185682 189034778 /nfs/dbraw/zinc/03/47/78/189034778.db2.gz CZICOTJDSSUCAY-ZJUUUORDSA-N 0 3 293.327 0.533 20 5 CCBDHN Cc1cc([N+](=O)[O-])cn(C[C@H]2CNCCO2)c1=O ZINC000594697987 360361940 /nfs/dbraw/zinc/36/19/40/360361940.db2.gz FFAHLBDOGZLIAB-SNVBAGLBSA-N 0 3 253.258 0.053 20 5 CCBDHN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595111786 360438652 /nfs/dbraw/zinc/43/86/52/360438652.db2.gz OBPYKMXTCOCEMR-RQJHMYQMSA-N 0 3 274.302 0.004 20 5 CCBDHN C[C@@]12COC[C@H]1CN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595757240 360642478 /nfs/dbraw/zinc/64/24/78/360642478.db2.gz IJNXXHSCMWVBLZ-BXUZGUMPSA-N 0 3 293.323 0.725 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1C[C@@H](O)C12CCC2 ZINC000595779836 360653189 /nfs/dbraw/zinc/65/31/89/360653189.db2.gz FXAYWRVEDFVUKR-NWDGAFQWSA-N 0 3 293.323 0.650 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595830296 360671606 /nfs/dbraw/zinc/67/16/06/360671606.db2.gz JZBWCBIHTYWDHL-MNOVXSKESA-N 0 3 266.301 0.760 20 5 CCBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 ZINC000597710191 361204727 /nfs/dbraw/zinc/20/47/27/361204727.db2.gz JJPLHRLDKYAKIY-CYBMUJFWSA-N 0 3 293.327 0.876 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOCC3(CC3)C2)c1 ZINC000611815497 363787803 /nfs/dbraw/zinc/78/78/03/363787803.db2.gz HPRPWVJKNADUBN-LBPRGKRZSA-N 0 3 296.327 0.265 20 5 CCBDHN CC[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598532159 361440743 /nfs/dbraw/zinc/44/07/43/361440743.db2.gz SCHCPJFRKJOJKO-JGVFFNPUSA-N 0 3 267.289 0.530 20 5 CCBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1CO ZINC000598652153 361472063 /nfs/dbraw/zinc/47/20/63/361472063.db2.gz YJPUYZFBVXEREN-MNOVXSKESA-N 0 3 268.317 0.742 20 5 CCBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CN2CCCC2)n1 ZINC000598739761 361505267 /nfs/dbraw/zinc/50/52/67/361505267.db2.gz KAHPXCNUMZALSK-UHFFFAOYSA-N 0 3 295.343 0.933 20 5 CCBDHN O=C1CN(CCCNCc2cccc([N+](=O)[O-])c2)CCN1 ZINC000564469658 291281862 /nfs/dbraw/zinc/28/18/62/291281862.db2.gz GDQFEBIJWYUJJG-UHFFFAOYSA-N 0 3 292.339 0.506 20 5 CCBDHN C[C@H](CCN1CCN(C)CC1)Nc1c([N+](=O)[O-])ncn1C ZINC000613704407 364350845 /nfs/dbraw/zinc/35/08/45/364350845.db2.gz JTMVGGJOXMYWOZ-LLVKDONJSA-N 0 3 296.375 0.766 20 5 CCBDHN CCc1n[nH]c(C(=O)N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000330685231 203114501 /nfs/dbraw/zinc/11/45/01/203114501.db2.gz UKDQCCLQWJLRCY-ZETCQYMHSA-N 0 3 269.305 0.560 20 5 CCBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCNC1 ZINC000071397233 291601565 /nfs/dbraw/zinc/60/15/65/291601565.db2.gz YYNJGXJDGVKVJQ-JTQLQIEISA-N 0 3 299.352 0.934 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CNCCC1(F)F ZINC000569241529 291663632 /nfs/dbraw/zinc/66/36/32/291663632.db2.gz YMTSLBYNAQCMJT-SSDOTTSWSA-N 0 3 289.242 0.055 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](O)CC2)c1 ZINC000293004769 388976489 /nfs/dbraw/zinc/97/64/89/388976489.db2.gz DCKBJKMRRFGUOH-NSHDSACASA-N 0 3 254.290 0.638 20 5 CCBDHN CC(C)N1CCN(CCCn2cnc([N+](=O)[O-])n2)CC1 ZINC000330983783 389272308 /nfs/dbraw/zinc/27/23/08/389272308.db2.gz QFZQQJCRQBNTJV-UHFFFAOYSA-N 0 3 282.348 0.602 20 5 CCBDHN CN1CC=C(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000272016246 389456912 /nfs/dbraw/zinc/45/69/12/389456912.db2.gz UNRQLVPABLFXDT-UHFFFAOYSA-N 0 3 279.300 0.169 20 5 CCBDHN C[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374179767 389554828 /nfs/dbraw/zinc/55/48/28/389554828.db2.gz WFZIXGHQQCOXDR-VIFPVBQESA-N 0 3 254.290 0.809 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[NH2+]C2)s1 ZINC000178892531 389626916 /nfs/dbraw/zinc/62/69/16/389626916.db2.gz FXDKGFHNHPMOQY-SSDOTTSWSA-N 0 3 291.354 0.687 20 5 CCBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000440748668 390044239 /nfs/dbraw/zinc/04/42/39/390044239.db2.gz PKAHMDUOLVNNSK-SECBINFHSA-N 0 3 287.341 0.837 20 5 CCBDHN CN(C)CC(C)(C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000457202452 390034103 /nfs/dbraw/zinc/03/41/03/390034103.db2.gz HRDHKLLRHGRIJL-UHFFFAOYSA-N 0 3 269.305 0.248 20 5 CCBDHN O=C(NC1CCN(C2CC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000547757518 390396560 /nfs/dbraw/zinc/39/65/60/390396560.db2.gz SOHSIMCVMHUJQW-UHFFFAOYSA-N 0 3 279.300 0.675 20 5 CCBDHN CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000556085099 390473451 /nfs/dbraw/zinc/47/34/51/390473451.db2.gz LHJSJSZUUONKSI-GFCCVEGCSA-N 0 3 297.359 0.178 20 5 CCBDHN CN(C)C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCO1 ZINC000572939982 390812386 /nfs/dbraw/zinc/81/23/86/390812386.db2.gz VQFVSFZJCRRIML-SNVBAGLBSA-N 0 3 284.291 0.896 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000577814042 390845946 /nfs/dbraw/zinc/84/59/46/390845946.db2.gz NWDDRJZVFAMXOA-OCCSQVGLSA-N 0 3 280.324 0.812 20 5 CCBDHN COc1ccc(CNC[C@@H](O)CO)cc1[N+](=O)[O-] ZINC000083414034 533665866 /nfs/dbraw/zinc/66/58/66/533665866.db2.gz BKMQNGSPQHWAQN-SECBINFHSA-N 0 3 256.258 0.046 20 5 CCBDHN C[C@@H]1C[C@@H](O)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341756830 130024015 /nfs/dbraw/zinc/02/40/15/130024015.db2.gz VKZDFFDOKCMRLB-MWLCHTKSSA-N 0 3 267.285 0.212 20 5 CCBDHN O=C(C[C@@H]1CNCCO1)NCCc1ccccc1[N+](=O)[O-] ZINC000269205673 132131233 /nfs/dbraw/zinc/13/12/33/132131233.db2.gz CYYZYPMERFVFSR-GFCCVEGCSA-N 0 3 293.323 0.632 20 5 CCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N(C)C1CC1 ZINC000356458782 144004691 /nfs/dbraw/zinc/00/46/91/144004691.db2.gz BMQZNPRHFGWCKD-MRVPVSSYSA-N 0 3 281.316 0.541 20 5 CCBDHN Cc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358057218 144146915 /nfs/dbraw/zinc/14/69/15/144146915.db2.gz OWBWGXLKVHQTNR-AWEZNQCLSA-N 0 3 293.323 0.700 20 5 CCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368640062 144237008 /nfs/dbraw/zinc/23/70/08/144237008.db2.gz ZZSXMCAFWVXNNS-ZOBORPQBSA-N 0 3 278.308 0.798 20 5 CCBDHN CN(C)[C@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000548419678 286034818 /nfs/dbraw/zinc/03/48/18/286034818.db2.gz HMEQEBMADMXTBP-QMMMGPOBSA-N 0 3 267.289 0.484 20 5 CCBDHN C[C@H]1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CN1C1CC1 ZINC000548420450 286034855 /nfs/dbraw/zinc/03/48/55/286034855.db2.gz MUPPQUAXSLYCJS-YUMQZZPRSA-N 0 3 279.300 0.673 20 5 CCBDHN COCCCN(C)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548748591 286064980 /nfs/dbraw/zinc/06/49/80/286064980.db2.gz VIIRTDPVWGETGU-UHFFFAOYSA-N 0 3 285.304 0.016 20 5 CCBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCNCC1 ZINC000020362667 171161573 /nfs/dbraw/zinc/16/15/73/171161573.db2.gz CKPANNNHVHHVTQ-SNVBAGLBSA-N 0 3 278.312 0.827 20 5 CCBDHN CN(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000457211934 276778414 /nfs/dbraw/zinc/77/84/14/276778414.db2.gz SGXBSCJWUYVVTO-UHFFFAOYSA-N 0 3 254.290 0.993 20 5 CCBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285087996 278253681 /nfs/dbraw/zinc/25/36/81/278253681.db2.gz IKOQEFNAZWGVMT-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN O=C(CNC[C@H]1CCCO1)NCc1ccc([N+](=O)[O-])cc1 ZINC000237931871 295520265 /nfs/dbraw/zinc/52/02/65/295520265.db2.gz UYUNOGYMQRUTTK-CYBMUJFWSA-N 0 3 293.323 0.980 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C[NH3+])C1CC1 ZINC000087384005 302047820 /nfs/dbraw/zinc/04/78/20/302047820.db2.gz GTCYRHZWFAQRNJ-JTQLQIEISA-N 0 3 299.352 0.919 20 5 CCBDHN C[C@@H]1CCCCN1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000583358817 327318352 /nfs/dbraw/zinc/31/83/52/327318352.db2.gz IIPIZQFRUNMBQS-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H]1C ZINC000379465049 329558666 /nfs/dbraw/zinc/55/86/66/329558666.db2.gz HLXAPJWIOXCVAI-BDAKNGLRSA-N 0 3 266.301 0.756 20 5 CCBDHN Cc1cccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000579853629 335909476 /nfs/dbraw/zinc/90/94/76/335909476.db2.gz WXGKKVUVZVNHIK-WDEREUQCSA-N 0 3 290.323 0.651 20 5 CCBDHN Cc1nc(N2CC[C@@H](OCCN(C)C)C2)ncc1[N+](=O)[O-] ZINC000450387339 534447455 /nfs/dbraw/zinc/44/74/55/534447455.db2.gz IRORLYDEWHVHQC-LLVKDONJSA-N 0 3 295.343 0.850 20 5 CCBDHN CN(Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C2CC2)C1 ZINC000732188101 581808133 /nfs/dbraw/zinc/80/81/33/581808133.db2.gz FVXGTOSAQSVFAL-NSHDSACASA-N 0 3 265.317 0.917 20 5 CCBDHN COc1ccc([N+](=O)[O-])cc1OC(=O)C1CCN(C)C1=O ZINC000773972186 581950712 /nfs/dbraw/zinc/95/07/12/581950712.db2.gz OALHWCYYNIVTGR-SECBINFHSA-N 0 3 294.263 0.987 20 5 CCBDHN COc1ccc(OC(=O)C2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000773982622 581951172 /nfs/dbraw/zinc/95/11/72/581951172.db2.gz JHZARJOFTVEWHH-SECBINFHSA-N 0 3 294.263 0.987 20 5 CCBDHN CN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000899728444 616106511 /nfs/dbraw/zinc/10/65/11/616106511.db2.gz OFXDASQXZVSVPF-UHFFFAOYSA-N 0 3 273.314 0.310 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825890885 616214342 /nfs/dbraw/zinc/21/43/42/616214342.db2.gz AGXWGCDNOULHOE-QWHCGFSZSA-N 0 3 293.323 0.839 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825890886 616214418 /nfs/dbraw/zinc/21/44/18/616214418.db2.gz AGXWGCDNOULHOE-STQMWFEESA-N 0 3 293.323 0.839 20 5 CCBDHN CN1CCOC[C@@]1(CO)CNCc1ccc([N+](=O)[O-])cc1 ZINC000922539456 616249234 /nfs/dbraw/zinc/24/92/34/616249234.db2.gz LMPFMBOCGREMHY-AWEZNQCLSA-N 0 3 295.339 0.378 20 5 CCBDHN CO[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000851036394 616901273 /nfs/dbraw/zinc/90/12/73/616901273.db2.gz IYEYATKUDZTELI-UFBFGSQYSA-N 0 3 291.300 0.942 20 5 CCBDHN COC(=O)c1coc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103311 617010730 /nfs/dbraw/zinc/01/07/30/617010730.db2.gz BVCLTAPWGCFFOM-ZCFIWIBFSA-N 0 3 257.198 0.888 20 5 CCBDHN CC(COC(=O)c1nnc2ccccc2n1)[N+](=O)[O-] ZINC000813102035 624648188 /nfs/dbraw/zinc/64/81/88/624648188.db2.gz ABOJVQXOANNLKG-ZETCQYMHSA-N 0 3 262.225 0.847 20 5 CCBDHN CC(COC(=O)c1nn(C)cc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813112157 624656874 /nfs/dbraw/zinc/65/68/74/624656874.db2.gz CTCDPJFXXLWCPV-YFKPBYRVSA-N 0 3 258.190 0.150 20 5 CCBDHN C[C@@H]1[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000928458087 631871711 /nfs/dbraw/zinc/87/17/11/631871711.db2.gz RFCVPYFVIURSPU-RKDXNWHRSA-N 0 3 267.289 0.000 20 5 CCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)OCCN1CCCCC1 ZINC000912979792 636718574 /nfs/dbraw/zinc/71/85/74/636718574.db2.gz ZMWHUVLLYKZEHX-UHFFFAOYSA-N 0 3 282.300 0.820 20 5 CCBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)CO2)[N+](=O)[O-] ZINC000813103457 641021914 /nfs/dbraw/zinc/02/19/14/641021914.db2.gz BCGLOVDRVRDWDS-ZETCQYMHSA-N 0 3 280.236 0.840 20 5 CCBDHN CC(COC(=O)CNC(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813104776 641021963 /nfs/dbraw/zinc/02/19/63/641021963.db2.gz RIWLTHLJIFXPJD-MRVPVSSYSA-N 0 3 260.290 0.747 20 5 CCBDHN CC(COC(=O)c1cn(C)nc1-c1cnn(C)c1)[N+](=O)[O-] ZINC000813105033 641022513 /nfs/dbraw/zinc/02/25/13/641022513.db2.gz UGUFJKAXHSVSHF-QMMMGPOBSA-N 0 3 293.283 0.643 20 5 CCBDHN CC(COC(=O)[C@H]1CC(=O)N(C2CC2)C1)[N+](=O)[O-] ZINC000813108712 641023462 /nfs/dbraw/zinc/02/34/62/641023462.db2.gz KVXKGJJUSCETCC-SFYZADRCSA-N 0 3 256.258 0.206 20 5 CCBDHN CC(COC(=O)c1csc(S(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813106909 641023770 /nfs/dbraw/zinc/02/37/70/641023770.db2.gz HTPANTKTFVKOIL-ZCFIWIBFSA-N 0 3 293.322 0.974 20 5 CCBDHN CC(COC(=O)[C@@H](C)NC(=O)C1CCCC1)[N+](=O)[O-] ZINC000813110663 641024436 /nfs/dbraw/zinc/02/44/36/641024436.db2.gz HEBQBPDKBRLINJ-DTWKUNHWSA-N 0 3 272.301 0.890 20 5 CCBDHN Cc1cccn2c(=O)c(C(=O)OCC(C)[N+](=O)[O-])cnc12 ZINC000813111164 641024736 /nfs/dbraw/zinc/02/47/36/641024736.db2.gz PKNSJNANAWXHKQ-VIFPVBQESA-N 0 3 291.263 0.825 20 5 CCBDHN CC(COC(=O)CCCNC(=O)C1CC1)[N+](=O)[O-] ZINC000813114026 641024849 /nfs/dbraw/zinc/02/48/49/641024849.db2.gz LDLVRRMPSMHNHC-MRVPVSSYSA-N 0 3 258.274 0.501 20 5 CCBDHN O=C(NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000818943078 641367129 /nfs/dbraw/zinc/36/71/29/641367129.db2.gz UFQWJRCOVZLJBA-ZDUSSCGKSA-N 0 3 293.323 0.744 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000820273440 641491591 /nfs/dbraw/zinc/49/15/91/641491591.db2.gz UVCAPOKFWGYEBW-WDEREUQCSA-N 0 3 293.327 0.262 20 5 CCBDHN O=[N+]([O-])c1cnc(N2C[C@@H]3CCCN3C[C@@H]2CO)c(F)c1 ZINC000872758418 646320451 /nfs/dbraw/zinc/32/04/51/646320451.db2.gz ZSUQYQLEPDLZGQ-GXSJLCMTSA-N 0 3 296.302 0.774 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874845560 646489761 /nfs/dbraw/zinc/48/97/61/646489761.db2.gz VZXLMVRFUIPNKH-UWVGGRQHSA-N 0 3 293.327 0.935 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874845560 646489768 /nfs/dbraw/zinc/48/97/68/646489768.db2.gz VZXLMVRFUIPNKH-UWVGGRQHSA-N 0 3 293.327 0.935 20 5 CCBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](N)CN(C)C)CC2 ZINC000876905052 646693204 /nfs/dbraw/zinc/69/32/04/646693204.db2.gz OOACUTKLZHJIHE-NSHDSACASA-N 0 3 292.339 0.681 20 5 CCBDHN O=C1CC2(CCC2)N(CCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000880169693 647166680 /nfs/dbraw/zinc/16/66/80/647166680.db2.gz YPAVKPDDIIDHRB-UHFFFAOYSA-N 0 3 293.327 0.536 20 5 CCBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)CO)CC2)cc1 ZINC000929750369 648786602 /nfs/dbraw/zinc/78/66/02/648786602.db2.gz TWJODFKEPAJASY-GFCCVEGCSA-N 0 3 296.323 0.791 20 5 CCBDHN CN(CCO)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001155251060 800939447 /nfs/dbraw/zinc/93/94/47/800939447.db2.gz GQICBHYPEHBLFA-UHFFFAOYSA-N 0 3 297.311 0.014 20 5 CCBDHN COc1ncnc(N[C@@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159499785 801825154 /nfs/dbraw/zinc/82/51/54/801825154.db2.gz VNVVMQRKRRIAGK-YUMQZZPRSA-N 0 3 283.288 0.182 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001160451125 801943184 /nfs/dbraw/zinc/94/31/84/801943184.db2.gz VXKNKGVUCBUPNK-SNVBAGLBSA-N 0 3 293.327 0.786 20 5 CCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H](O)C[C@@H]1CO ZINC001254542481 808258501 /nfs/dbraw/zinc/25/85/01/808258501.db2.gz OBEUCFWWYHRSBG-RAIGVLPGSA-N 0 3 280.324 0.953 20 5 CCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H](O)[C@H](CO)C1 ZINC001254551834 808259558 /nfs/dbraw/zinc/25/95/58/808259558.db2.gz GHKHQGRWUYVJBI-SCDSUCTJSA-N 0 3 280.324 0.811 20 5 CCBDHN CCNC(=O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585924 808265054 /nfs/dbraw/zinc/26/50/54/808265054.db2.gz YVACXKOOHQMUSE-LLVKDONJSA-N 0 3 263.297 0.788 20 5 CCBDHN CCc1nn(C)c(N(C)CCN(C)CCO)c1[N+](=O)[O-] ZINC000701041369 818890495 /nfs/dbraw/zinc/89/04/95/818890495.db2.gz LJRGUVZQWQYOAR-UHFFFAOYSA-N 0 3 285.348 0.251 20 5 CCBDHN O=[N+]([O-])c1ccc(N2CC(N[C@@H]3CCOC3)C2)cn1 ZINC001164233937 820677495 /nfs/dbraw/zinc/67/74/95/820677495.db2.gz DOAVMXSZEOKORY-SECBINFHSA-N 0 3 264.285 0.557 20 5 CCBDHN CN(c1ccc2[nH]cc([N+](=O)[O-])c2n1)S(=O)(=O)CCN ZINC001156237095 836073395 /nfs/dbraw/zinc/07/33/95/836073395.db2.gz WVXLNQFGZRLXAU-UHFFFAOYSA-N 0 3 299.312 0.196 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@@H]3C[C@H](CO)C[C@H]32)C1 ZINC001169012445 836100151 /nfs/dbraw/zinc/10/01/51/836100151.db2.gz QENUWQKLCSFAHZ-RKQHYHRCSA-N 0 3 284.356 0.904 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@@]3(CCOC3)C2)C1 ZINC001169013071 836100338 /nfs/dbraw/zinc/10/03/38/836100338.db2.gz TXDLUPRMNKSMGL-AGIUHOORSA-N 0 3 270.329 0.923 20 5 CCBDHN CCOC(=O)c1cnc(-n2nncc2CN)c([N+](=O)[O-])c1 ZINC001169304066 836204184 /nfs/dbraw/zinc/20/41/84/836204184.db2.gz KYPMHYBOXYAYME-UHFFFAOYSA-N 0 3 292.255 0.206 20 5 CCBDHN COc1cc(-n2nncc2CN)cc([N+](=O)[O-])c1C ZINC001169311820 836211451 /nfs/dbraw/zinc/21/14/51/836211451.db2.gz DOVCXPMBNHHARO-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN Cc1c[n+]([O-])c(N[C@@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170561639 838103083 /nfs/dbraw/zinc/10/30/83/838103083.db2.gz GCTWUGGJOYIAMY-GXSJLCMTSA-N 0 3 282.300 0.325 20 5 CCBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])c[nH]1 ZINC001292419618 906213184 /nfs/dbraw/zinc/21/31/84/906213184.db2.gz LCSJODOXOFMSDR-MWLCHTKSSA-N 0 3 294.311 0.516 20 5 CCBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001307206358 908296821 /nfs/dbraw/zinc/29/68/21/908296821.db2.gz KPGGTDFVJMLYDJ-UHFFFAOYSA-N 0 3 284.272 0.839 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1NC1CCN([C@H]2CCOC2)CC1 ZINC001335042008 919912889 /nfs/dbraw/zinc/91/28/89/919912889.db2.gz NJTNQHLENJTQMC-NSHDSACASA-N 0 3 295.343 0.994 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2COC3(CNC3)C2)c1 ZINC001343998726 923526439 /nfs/dbraw/zinc/52/64/39/923526439.db2.gz DCRUWRBDNHCPLM-JTQLQIEISA-N 0 3 291.307 0.764 20 5 CCBDHN COCc1nn(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC001344996697 923755756 /nfs/dbraw/zinc/75/57/56/923755756.db2.gz IOBLRXKPGWIIQZ-ZETCQYMHSA-N 0 3 257.246 0.389 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](CO)C1 ZINC000090550254 349438568 /nfs/dbraw/zinc/43/85/68/349438568.db2.gz XTNITXJFHNJAAI-JTQLQIEISA-N 0 3 267.285 0.071 20 5 CCBDHN CC(C)c1n[n-]c(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000337606866 214178929 /nfs/dbraw/zinc/17/89/29/214178929.db2.gz VNNLRTQMAMZFDD-UHFFFAOYSA-N 0 3 281.316 0.877 20 5 CCBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N(CCO)CCO ZINC000600179071 361882507 /nfs/dbraw/zinc/88/25/07/361882507.db2.gz HDDFKMUCFAESGO-GFCCVEGCSA-N 0 3 266.297 0.869 20 5 CCBDHN CCN1CCC[C@H]1CN(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125643492 187194528 /nfs/dbraw/zinc/19/45/28/187194528.db2.gz KRZIOBSANZIXGC-JTQLQIEISA-N 0 3 295.343 0.885 20 5 CCBDHN CC1(OCC(=O)NCCc2ccc([N+](=O)[O-])cc2)CNC1 ZINC000098061237 349651180 /nfs/dbraw/zinc/65/11/80/349651180.db2.gz OTHYKMQGLOCHAH-UHFFFAOYSA-N 0 3 293.323 0.632 20 5 CCBDHN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111302222 349770218 /nfs/dbraw/zinc/77/02/18/349770218.db2.gz RMESMBRKDSNRFK-ZCFIWIBFSA-N 0 3 293.732 0.874 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1C[C@H]2CCN(C)C[C@H]2C1 ZINC000601183694 362168358 /nfs/dbraw/zinc/16/83/58/362168358.db2.gz CKRMMBGYKFOUEK-ZJUUUORDSA-N 0 3 265.317 0.716 20 5 CCBDHN CN1CC[C@](O)(CNc2ncccc2[N+](=O)[O-])C1 ZINC000358322629 529810510 /nfs/dbraw/zinc/81/05/10/529810510.db2.gz RHHIZZXOYQKWCO-NSHDSACASA-N 0 3 252.274 0.468 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3COC[C@@H]3C2)n1 ZINC000601975581 362447790 /nfs/dbraw/zinc/44/77/90/362447790.db2.gz YOINGVCHQQVTDR-AOOOYVTPSA-N 0 3 252.274 0.370 20 5 CCBDHN CCN1CCCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602432410 362613090 /nfs/dbraw/zinc/61/30/90/362613090.db2.gz OZOYNQIOWSPCHP-UHFFFAOYSA-N 0 3 267.333 0.856 20 5 CCBDHN O=C1C[C@]2(CN1)CCCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000342338079 137088831 /nfs/dbraw/zinc/08/88/31/137088831.db2.gz LELMZWWQOGWLFF-ZDUSSCGKSA-N 0 3 293.327 0.393 20 5 CCBDHN C[C@@H]1C[C@H](CO)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000344133150 137178919 /nfs/dbraw/zinc/17/89/19/137178919.db2.gz POGFYRVCHGQWGP-VXGBXAGGSA-N 0 3 295.339 0.849 20 5 CCBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000037889115 348216337 /nfs/dbraw/zinc/21/63/37/348216337.db2.gz YGTGNWHXKFQREF-MFKMUULPSA-N 0 3 291.311 0.898 20 5 CCBDHN COC[C@](C)(CO)NCCOc1ccccc1[N+](=O)[O-] ZINC000602932189 362893916 /nfs/dbraw/zinc/89/39/16/362893916.db2.gz NURJJFFBVJRZGY-ZDUSSCGKSA-N 0 3 284.312 0.961 20 5 CCBDHN CO[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000602961537 362909025 /nfs/dbraw/zinc/90/90/25/362909025.db2.gz BJPKTFAUTCRHGZ-YPMHNXCESA-N 0 3 298.343 0.571 20 5 CCBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](O)CO ZINC000347375776 137333450 /nfs/dbraw/zinc/33/34/50/137333450.db2.gz KQUFXSHOILUQFV-OMPYUXFZSA-N 0 3 266.297 0.941 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[NH2+]C1 ZINC000052093584 348504266 /nfs/dbraw/zinc/50/42/66/348504266.db2.gz ROCAJZOKZJUUGA-SECBINFHSA-N 0 3 285.325 0.543 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)N(C)C1CC1 ZINC000057705468 348614789 /nfs/dbraw/zinc/61/47/89/348614789.db2.gz OMAZYBQEBUDUAF-VIFPVBQESA-N 0 3 295.343 0.699 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NCCCN1CCC(O)CC1 ZINC000060378718 348643107 /nfs/dbraw/zinc/64/31/07/348643107.db2.gz KAOGAHLMFJBPEF-UHFFFAOYSA-N 0 3 283.332 0.587 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCCC(F)(F)F)c1 ZINC000063099966 348677200 /nfs/dbraw/zinc/67/72/00/348677200.db2.gz GKDHQIWRNGDWBY-QMMMGPOBSA-N 0 3 282.222 0.694 20 5 CCBDHN COC1CCN(CCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000080250590 349205674 /nfs/dbraw/zinc/20/56/74/349205674.db2.gz HZHPAZPWFVQNKE-UHFFFAOYSA-N 0 3 296.331 0.490 20 5 CCBDHN CC[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000083483880 349306516 /nfs/dbraw/zinc/30/65/16/349306516.db2.gz AGJXCDBNNMCBAW-NSHDSACASA-N 0 3 266.301 0.860 20 5 CCBDHN CN(C)C[C@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000123185502 350073442 /nfs/dbraw/zinc/07/34/42/350073442.db2.gz NVPBAEBUWDZJEN-SECBINFHSA-N 0 3 281.316 0.874 20 5 CCBDHN O=[N+]([O-])c1cccc(-c2ncn(C[C@H]3CNCCO3)n2)c1 ZINC000122460247 350065465 /nfs/dbraw/zinc/06/54/65/350065465.db2.gz NYGOGHBOJGRNRF-GFCCVEGCSA-N 0 3 289.295 0.842 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@@H]1CN ZINC000124343428 350096552 /nfs/dbraw/zinc/09/65/52/350096552.db2.gz GOHWEKXHWWEOJV-LBPRGKRZSA-N 0 3 292.339 0.618 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C(C)(C)CO ZINC000127620494 350174090 /nfs/dbraw/zinc/17/40/90/350174090.db2.gz PHVWZICWPSVTGY-UHFFFAOYSA-N 0 3 256.306 0.802 20 5 CCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000135214324 350388600 /nfs/dbraw/zinc/38/86/00/350388600.db2.gz CWHDHAFYIAINIM-UHFFFAOYSA-N 0 3 263.297 0.959 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2C[C@@]2(O)C1 ZINC000603087781 362956313 /nfs/dbraw/zinc/95/63/13/362956313.db2.gz OVGYFYLGCNQREP-JTNHKYCSSA-N 0 3 294.307 0.401 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)C(C)C ZINC000151974581 350514890 /nfs/dbraw/zinc/51/48/90/350514890.db2.gz NXFVOTWSVLORHW-UHFFFAOYSA-N 0 3 297.359 0.898 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@](C)(O)C1 ZINC000163598350 350768684 /nfs/dbraw/zinc/76/86/84/350768684.db2.gz JTRXCVQSSZJLGU-LBPRGKRZSA-N 0 3 268.317 0.947 20 5 CCBDHN C[C@H]1C[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1C ZINC000164250155 350777589 /nfs/dbraw/zinc/77/75/89/350777589.db2.gz DJJZGEWBZBFFBW-DTWKUNHWSA-N 0 3 281.316 0.873 20 5 CCBDHN C[C@@H](O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000174849126 351107596 /nfs/dbraw/zinc/10/75/96/351107596.db2.gz CLJALXWTENJOEW-NWDGAFQWSA-N 0 3 297.359 0.178 20 5 CCBDHN CN(C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000174980128 351112976 /nfs/dbraw/zinc/11/29/76/351112976.db2.gz UTRKSRCFEPOVBM-UHFFFAOYSA-N 0 3 280.328 0.709 20 5 CCBDHN CO[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176228451 351163223 /nfs/dbraw/zinc/16/32/23/351163223.db2.gz YILILIIIQAJZSP-SNVBAGLBSA-N 0 3 254.290 0.902 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187384783 351541273 /nfs/dbraw/zinc/54/12/73/351541273.db2.gz PNJXCGJUHHPPDR-ZDUSSCGKSA-N 0 3 296.327 0.219 20 5 CCBDHN CO[C@@H]1CN[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000191869188 351776190 /nfs/dbraw/zinc/77/61/90/351776190.db2.gz CMLGKBQIDSCPOC-WDEREUQCSA-N 0 3 265.269 0.910 20 5 CCBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCC1 ZINC000220941852 351974721 /nfs/dbraw/zinc/97/47/21/351974721.db2.gz DEYHHCFVQYEPJO-UHFFFAOYSA-N 0 3 293.327 0.786 20 5 CCBDHN CN1CCN(C)[C@@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000225322663 352001407 /nfs/dbraw/zinc/00/14/07/352001407.db2.gz HIUCCRXDJWKPFJ-ZDUSSCGKSA-N 0 3 278.356 0.930 20 5 CCBDHN CO[C@H](CN)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000227380023 352049073 /nfs/dbraw/zinc/04/90/73/352049073.db2.gz AYVHMOVVTXBBHD-SNVBAGLBSA-N 0 3 253.258 0.185 20 5 CCBDHN O=[N+]([O-])c1cnccc1NC[C@@H]1CSCCN1 ZINC000603417799 363121974 /nfs/dbraw/zinc/12/19/74/363121974.db2.gz BKXDNEIZLGUYRI-MRVPVSSYSA-N 0 3 254.315 0.529 20 5 CCBDHN O=[N+]([O-])c1ccc(CCN2C[C@H](O)C[C@H]2CO)cc1 ZINC000245643497 352331946 /nfs/dbraw/zinc/33/19/46/352331946.db2.gz ATNRGWBFIDTVMF-QWHCGFSZSA-N 0 3 266.297 0.565 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](O)C1 ZINC000249526133 352494462 /nfs/dbraw/zinc/49/44/62/352494462.db2.gz UAUXINYYTHSENH-VXGBXAGGSA-N 0 3 296.323 0.791 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000152604466 188031181 /nfs/dbraw/zinc/03/11/81/188031181.db2.gz VRMNVVQCHFDCJY-CQSZACIVSA-N 0 3 295.339 0.566 20 5 CCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287185376 353630982 /nfs/dbraw/zinc/63/09/82/353630982.db2.gz CSTMIXNPRCBFQF-MGPQQGTHSA-N 0 3 296.323 0.446 20 5 CCBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCC1 ZINC000286899775 353617577 /nfs/dbraw/zinc/61/75/77/353617577.db2.gz XYBFDVXZKKNZPQ-UHFFFAOYSA-N 0 3 267.289 0.532 20 5 CCBDHN CN1CC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290684396 353742456 /nfs/dbraw/zinc/74/24/56/353742456.db2.gz SUPWNYJFXPONQF-QMMMGPOBSA-N 0 3 279.300 0.452 20 5 CCBDHN Cc1nc(N[C@@H](CO)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000295725441 353914578 /nfs/dbraw/zinc/91/45/78/353914578.db2.gz UXWFNUNRQGZVJK-LLVKDONJSA-N 0 3 295.343 0.952 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC000305770886 354161547 /nfs/dbraw/zinc/16/15/47/354161547.db2.gz YJQSZEKYXUECHZ-ZYHUDNBSSA-N 0 3 281.312 0.459 20 5 CCBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@H]1CCOC1 ZINC000330418038 354350930 /nfs/dbraw/zinc/35/09/30/354350930.db2.gz WHGPGKGBXQNRLP-IUCAKERBSA-N 0 3 254.290 0.843 20 5 CCBDHN C[C@H]1CCN[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000423893031 235108567 /nfs/dbraw/zinc/10/85/67/235108567.db2.gz COSYGZSJLDDSLH-GXSJLCMTSA-N 0 3 281.316 0.296 20 5 CCBDHN COCCC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000345536326 355846051 /nfs/dbraw/zinc/84/60/51/355846051.db2.gz IKETYYPJYVJNOK-GFCCVEGCSA-N 0 3 298.343 0.511 20 5 CCBDHN CC(C)[C@@](C)(CO)NCc1c([N+](=O)[O-])ncn1C ZINC000352881381 356102417 /nfs/dbraw/zinc/10/24/17/356102417.db2.gz JFQUIEGSHMNNIV-LLVKDONJSA-N 0 3 256.306 0.825 20 5 CCBDHN COC(=O)COc1ccc(CNCCO)cc1[N+](=O)[O-] ZINC000353760789 356287800 /nfs/dbraw/zinc/28/78/00/356287800.db2.gz BFJAALCOEOYJDU-UHFFFAOYSA-N 0 3 284.268 0.229 20 5 CCBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532398435 358509973 /nfs/dbraw/zinc/50/99/73/358509973.db2.gz FJYKOQVNUYRUIE-UHFFFAOYSA-N 0 3 252.274 0.671 20 5 CCBDHN CN1CCCN(CCCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000619695210 366322878 /nfs/dbraw/zinc/32/28/78/366322878.db2.gz WCZCXISYUDQJPV-UHFFFAOYSA-N 0 3 299.400 0.913 20 5 CCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](CCO)C2)n1 ZINC000610485249 363565328 /nfs/dbraw/zinc/56/53/28/363565328.db2.gz ZXQCDMUQNUYHBX-LLVKDONJSA-N 0 3 268.317 0.886 20 5 CCBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCCN2CCO)nc1 ZINC000450620175 236102848 /nfs/dbraw/zinc/10/28/48/236102848.db2.gz VJNLYHXFTISCLI-NSHDSACASA-N 0 3 280.328 0.670 20 5 CCBDHN Cc1cc(NC[C@H]2CCCN2CCCO)ncc1[N+](=O)[O-] ZINC000450601989 236099573 /nfs/dbraw/zinc/09/95/73/236099573.db2.gz ZFONXSVHMHKQBW-GFCCVEGCSA-N 0 3 294.355 0.979 20 5 CCBDHN NC(=O)C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000175248736 283295630 /nfs/dbraw/zinc/29/56/30/283295630.db2.gz BUSHBGIZLUCAGB-SNVBAGLBSA-N 0 3 281.316 0.379 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H]2C2CC2)c1 ZINC000453025484 236272009 /nfs/dbraw/zinc/27/20/09/236272009.db2.gz UEPMEHZWLUFKPM-NWDGAFQWSA-N 0 3 266.301 0.637 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000533110343 358527599 /nfs/dbraw/zinc/52/75/99/358527599.db2.gz GTUYAUVYUZXGFW-GFCCVEGCSA-N 0 3 282.300 0.032 20 5 CCBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000586782812 359290160 /nfs/dbraw/zinc/29/01/60/359290160.db2.gz AGHLDOYZSHIBSN-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN CN1C[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000590444244 359466662 /nfs/dbraw/zinc/46/66/62/359466662.db2.gz NBMQDJNHCIBYRD-JOYOIKCWSA-N 0 3 290.323 0.953 20 5 CCBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000591981533 359718576 /nfs/dbraw/zinc/71/85/76/359718576.db2.gz BYBJJHAPRSFDIN-JTQLQIEISA-N 0 3 293.327 0.546 20 5 CCBDHN CCN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000611185661 363674901 /nfs/dbraw/zinc/67/49/01/363674901.db2.gz ZIZRPJVLPSWBCD-GFCCVEGCSA-N 0 3 294.355 0.783 20 5 CCBDHN CCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298285796 200384446 /nfs/dbraw/zinc/38/44/46/200384446.db2.gz HXTRAVRTECCNDR-SECBINFHSA-N 0 3 293.327 0.985 20 5 CCBDHN CCN1CCC[C@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000177029943 189022567 /nfs/dbraw/zinc/02/25/67/189022567.db2.gz LZWYOMVEVDZQLU-NSHDSACASA-N 0 3 295.343 0.734 20 5 CCBDHN CNc1nccc(C(=O)NCCN2CCCC2)c1[N+](=O)[O-] ZINC000594216890 360259343 /nfs/dbraw/zinc/25/93/43/360259343.db2.gz XPQDDGHKFQBAOW-UHFFFAOYSA-N 0 3 293.327 0.279 20 5 CCBDHN N[C@@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000594694870 360360958 /nfs/dbraw/zinc/36/09/58/360360958.db2.gz WYDTXXUAWPNISQ-JGVFFNPUSA-N 0 3 282.325 0.405 20 5 CCBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1C[C@H]1CNCCO1 ZINC000594697957 360361987 /nfs/dbraw/zinc/36/19/87/360361987.db2.gz BYWFFJDMHPHABN-SECBINFHSA-N 0 3 279.252 0.491 20 5 CCBDHN COC(=O)[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595847575 360677556 /nfs/dbraw/zinc/67/75/56/360677556.db2.gz HJKHDVPEFQYZQE-AOOOYVTPSA-N 0 3 282.300 0.675 20 5 CCBDHN CNC(=O)CCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859823 189150846 /nfs/dbraw/zinc/15/08/46/189150846.db2.gz ACRNNWSQNAAOBP-LBPRGKRZSA-N 0 3 281.312 0.696 20 5 CCBDHN Cc1cnc(N[C@@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000596244122 360851210 /nfs/dbraw/zinc/85/12/10/360851210.db2.gz PPRAKDRICXHYMA-SECBINFHSA-N 0 3 254.290 0.633 20 5 CCBDHN CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598038433 361320685 /nfs/dbraw/zinc/32/06/85/361320685.db2.gz CYISGRGEHRLNNU-VIFPVBQESA-N 0 3 281.316 0.874 20 5 CCBDHN CN1CCC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000564585769 291287863 /nfs/dbraw/zinc/28/78/63/291287863.db2.gz NJPMREDDYFFADJ-VIFPVBQESA-N 0 3 293.327 0.474 20 5 CCBDHN Cc1nc(NC[C@@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000564631614 291289143 /nfs/dbraw/zinc/28/91/43/291289143.db2.gz FGGXDJNGPMXXJM-JTQLQIEISA-N 0 3 265.317 0.869 20 5 CCBDHN N[C@@H]1C[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565232371 291364206 /nfs/dbraw/zinc/36/42/06/291364206.db2.gz FAUIBQSHQKKVRI-NXEZZACHSA-N 0 3 294.286 0.482 20 5 CCBDHN CN(C)C(=O)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517230531 249209301 /nfs/dbraw/zinc/20/93/01/249209301.db2.gz FAOOZLRSLFYQPY-UHFFFAOYSA-N 0 3 294.311 0.601 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1C[C@@H](O)C1 ZINC000572120965 291858567 /nfs/dbraw/zinc/85/85/67/291858567.db2.gz HYQJQWHEQVSNOP-AXFHLTTASA-N 0 3 282.296 0.447 20 5 CCBDHN CO[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1C ZINC000251583095 285147509 /nfs/dbraw/zinc/14/75/09/285147509.db2.gz FGLMCVVOSQLVBD-CYZMBNFOSA-N 0 3 298.343 0.509 20 5 CCBDHN CNC(=O)[C@@H](NCCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000183636184 388760207 /nfs/dbraw/zinc/76/02/07/388760207.db2.gz AVHRHLLWSDEJPU-JTQLQIEISA-N 0 3 269.305 0.152 20 5 CCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCCN1CCCCC1 ZINC000048892485 388908176 /nfs/dbraw/zinc/90/81/76/388908176.db2.gz FIGYZEVQCMAZCZ-UHFFFAOYSA-N 0 3 281.316 0.393 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](O)C1 ZINC000194361700 389094306 /nfs/dbraw/zinc/09/43/06/389094306.db2.gz UAUXINYYTHSENH-RYUDHWBXSA-N 0 3 296.323 0.791 20 5 CCBDHN CCN(CCO)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000192498304 389040121 /nfs/dbraw/zinc/04/01/21/389040121.db2.gz PKGVAPKOCPDGDM-UHFFFAOYSA-N 0 3 295.339 0.947 20 5 CCBDHN COCCNCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000212602875 389131877 /nfs/dbraw/zinc/13/18/77/389131877.db2.gz JWCMESYQJODUMN-QPJJXVBHSA-N 0 3 293.323 0.960 20 5 CCBDHN C[C@H](CC(N)=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000135737723 389261832 /nfs/dbraw/zinc/26/18/32/389261832.db2.gz MGIIYNVUZLCFIV-SECBINFHSA-N 0 3 267.285 0.827 20 5 CCBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000422045641 389393923 /nfs/dbraw/zinc/39/39/23/389393923.db2.gz ZACPKPSFEYIEMP-MRVPVSSYSA-N 0 3 267.289 0.484 20 5 CCBDHN Cc1n[nH]c(C(=O)NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000271910757 389447373 /nfs/dbraw/zinc/44/73/73/389447373.db2.gz IOEHLTQCJBWRRC-UHFFFAOYSA-N 0 3 279.300 0.618 20 5 CCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(C)(C)CN ZINC000415383531 389680221 /nfs/dbraw/zinc/68/02/21/389680221.db2.gz RTKASWCOTOQEID-UHFFFAOYSA-N 0 3 294.311 0.695 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN(CCO)CC2CC2)c1 ZINC000352463528 389814899 /nfs/dbraw/zinc/81/48/99/389814899.db2.gz KOZAPRPBNBPRNC-UHFFFAOYSA-N 0 3 254.290 0.496 20 5 CCBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420472259 390008980 /nfs/dbraw/zinc/00/89/80/390008980.db2.gz SCSBGIVEZUAMSK-LURJTMIESA-N 0 3 279.343 0.672 20 5 CCBDHN CCN(C)CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000521269174 390603002 /nfs/dbraw/zinc/60/30/02/390603002.db2.gz SJESNUPVTJPKEL-UHFFFAOYSA-N 0 3 267.289 0.084 20 5 CCBDHN Cc1nn(C)c(C(=O)NCCN2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000572543226 390789065 /nfs/dbraw/zinc/78/90/65/390789065.db2.gz YCKCXKDTWWHHBT-SECBINFHSA-N 0 3 295.343 0.708 20 5 CCBDHN Cc1nc(NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450588998 533599194 /nfs/dbraw/zinc/59/91/94/533599194.db2.gz BPYOECHBROZXTG-GFCCVEGCSA-N 0 3 294.355 0.979 20 5 CCBDHN CO[C@@H](CN)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000227345893 130841392 /nfs/dbraw/zinc/84/13/92/130841392.db2.gz ASHDIUPEEOXIOE-JTQLQIEISA-N 0 3 253.258 0.815 20 5 CCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000262849478 131267349 /nfs/dbraw/zinc/26/73/49/131267349.db2.gz ZHIVVTUWXIGOPF-DTWKUNHWSA-N 0 3 278.312 0.999 20 5 CCBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N(C)C1CC1 ZINC000263914738 131359091 /nfs/dbraw/zinc/35/90/91/131359091.db2.gz PAXZWDHHNFSHIB-MRVPVSSYSA-N 0 3 293.327 0.983 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCN1C ZINC000357042794 144053208 /nfs/dbraw/zinc/05/32/08/144053208.db2.gz SJXLMPLKYIJZCM-IUCAKERBSA-N 0 3 281.316 0.541 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000358066934 144148358 /nfs/dbraw/zinc/14/83/58/144148358.db2.gz NMEAUDWDIXRRNL-CQSZACIVSA-N 0 3 293.323 0.700 20 5 CCBDHN CN1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548383764 286031752 /nfs/dbraw/zinc/03/17/52/286031752.db2.gz HLORWSCBROTOHZ-UHFFFAOYSA-N 0 3 279.300 0.226 20 5 CCBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000354599568 274183542 /nfs/dbraw/zinc/18/35/42/274183542.db2.gz SAXWXQLGAZNDHQ-NXEZZACHSA-N 0 3 283.357 0.867 20 5 CCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000267691834 274334826 /nfs/dbraw/zinc/33/48/26/274334826.db2.gz QXKYVJCYOYDZLA-BDAKNGLRSA-N 0 3 280.332 0.743 20 5 CCBDHN C[C@@H](NCC(=O)N1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000572868565 334886030 /nfs/dbraw/zinc/88/60/30/334886030.db2.gz KNPWRSPQKXNNET-LLVKDONJSA-N 0 3 292.339 0.677 20 5 CCBDHN C[C@@H]1CCC[C@@H](CO)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305234898 533755526 /nfs/dbraw/zinc/75/55/26/533755526.db2.gz NEIXVOZHUHCYGZ-NTZNESFSSA-N 0 3 298.343 0.388 20 5 CCBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000183984737 521113210 /nfs/dbraw/zinc/11/32/10/521113210.db2.gz PWXYPQGIZQYZJA-UHFFFAOYSA-N 0 3 295.339 0.947 20 5 CCBDHN COCCCN(C)CCNc1ccncc1[N+](=O)[O-] ZINC000360996705 536497960 /nfs/dbraw/zinc/49/79/60/536497960.db2.gz SXLRAGLYDJCCGF-UHFFFAOYSA-N 0 3 268.317 0.792 20 5 CCBDHN NC(=O)C[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000367982128 526909409 /nfs/dbraw/zinc/90/94/09/526909409.db2.gz HEELZKGVZINUPQ-ZWNOBZJWSA-N 0 3 293.323 0.826 20 5 CCBDHN COC(=O)c1cc(NC(=O)[C@@H](C)N)cc([N+](=O)[O-])c1 ZINC000237142228 536550615 /nfs/dbraw/zinc/55/06/15/536550615.db2.gz ILJXYPPFHGRMDK-ZCFIWIBFSA-N 0 3 267.241 0.667 20 5 CCBDHN CCc1n[nH]c(C(=O)NCCN2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000515121545 536003613 /nfs/dbraw/zinc/00/36/13/536003613.db2.gz OOKXLMRHWGJSPA-VIFPVBQESA-N 0 3 295.343 0.952 20 5 CCBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000516396330 536793813 /nfs/dbraw/zinc/79/38/13/536793813.db2.gz LSZKTUNECPGHIE-UHFFFAOYSA-N 0 3 298.343 0.631 20 5 CCBDHN COC(=O)c1cnc(NC[C@@H](O)CN(C)C)c([N+](=O)[O-])c1 ZINC000790100164 581176623 /nfs/dbraw/zinc/17/66/23/581176623.db2.gz FCBWJEWYZANTSX-SECBINFHSA-N 0 3 298.299 0.111 20 5 CCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCCCC1 ZINC000795396468 581405607 /nfs/dbraw/zinc/40/56/07/581405607.db2.gz JVCAGISQTAHTST-SECBINFHSA-N 0 3 281.316 0.922 20 5 CCBDHN CN(CCC(N)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796596355 581445598 /nfs/dbraw/zinc/44/55/98/581445598.db2.gz UHZHMQRCMRQJLE-NSHDSACASA-N 0 3 267.285 0.435 20 5 CCBDHN C[C@H]1CCCN1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000742425000 581781665 /nfs/dbraw/zinc/78/16/65/581781665.db2.gz JGSJBSHJRSZWBN-QMMMGPOBSA-N 0 3 266.305 0.863 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CN(C)C)C(C)C ZINC000744414792 581841107 /nfs/dbraw/zinc/84/11/07/581841107.db2.gz YKLHGGFIBPRAKD-NSHDSACASA-N 0 3 297.359 0.802 20 5 CCBDHN CN1CCC2(CCN2C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000748324694 581969472 /nfs/dbraw/zinc/96/94/72/581969472.db2.gz CYRLVNDOTQBLEZ-UHFFFAOYSA-N 0 3 293.327 0.488 20 5 CCBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](CO)C2)cc1 ZINC000776584043 582081104 /nfs/dbraw/zinc/08/11/04/582081104.db2.gz JBPRJLSDGTUQSR-ZWNOBZJWSA-N 0 3 266.297 0.942 20 5 CCBDHN CC(=O)N1C[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@H]2C1 ZINC000880310286 613629550 /nfs/dbraw/zinc/62/95/50/613629550.db2.gz UGFWOMCGINYZSQ-TXEJJXNPSA-N 0 3 293.327 0.201 20 5 CCBDHN CCC(=O)N1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813103556 614705975 /nfs/dbraw/zinc/70/59/75/614705975.db2.gz QKIFEAOZBGGORW-BDAKNGLRSA-N 0 3 258.274 0.453 20 5 CCBDHN CCO[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000932975519 615489217 /nfs/dbraw/zinc/48/92/17/615489217.db2.gz UHPAOKHJAOKOGH-JTQLQIEISA-N 0 3 254.290 0.902 20 5 CCBDHN CC[S@](=O)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819048175 616016826 /nfs/dbraw/zinc/01/68/26/616016826.db2.gz UINDUXPAZZPOHK-BUXKBTBVSA-N 0 3 286.353 0.986 20 5 CCBDHN CCc1n[nH]c(C(=O)NOCCN(C)C)c1[N+](=O)[O-] ZINC000854945619 616031029 /nfs/dbraw/zinc/03/10/29/616031029.db2.gz NGWDUSAQGJEUQO-UHFFFAOYSA-N 0 3 271.277 0.103 20 5 CCBDHN COC(=O)c1ccc(CCNCC[N+](=O)[O-])cc1 ZINC000905030371 616897790 /nfs/dbraw/zinc/89/77/90/616897790.db2.gz GUJZFCCZCJIFAI-UHFFFAOYSA-N 0 3 252.270 0.882 20 5 CCBDHN COC(=O)c1ccc(CCNCC[N+](=O)[O-])c(OC)c1 ZINC000905271243 616897958 /nfs/dbraw/zinc/89/79/58/616897958.db2.gz BGEBQWUHLWYJFF-UHFFFAOYSA-N 0 3 282.296 0.891 20 5 CCBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])c1cnn(C)c1 ZINC000813104847 617002579 /nfs/dbraw/zinc/00/25/79/617002579.db2.gz SINPENJTBBXLMT-CBAPKCEASA-N 0 3 257.246 0.316 20 5 CCBDHN CC(COC(=O)c1cccc2c1oc(=O)n2C)[N+](=O)[O-] ZINC000813105653 624649924 /nfs/dbraw/zinc/64/99/24/624649924.db2.gz RGEDMZKUBPOGGO-ZETCQYMHSA-N 0 3 280.236 0.954 20 5 CCBDHN O=C(CCN1CC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000934022001 625005610 /nfs/dbraw/zinc/00/56/10/625005610.db2.gz SYZGUOSQXWUGDI-LBPRGKRZSA-N 0 3 279.296 0.990 20 5 CCBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2N[C@H]2CNOC2)n1 ZINC000925868060 631417600 /nfs/dbraw/zinc/41/76/00/631417600.db2.gz ABZLMFSTDSWCNV-DCAQKATOSA-N 0 3 281.316 0.768 20 5 CCBDHN C[C@@H]1OC[C@]2(CC[C@H](CNCC[N+](=O)[O-])O2)[C@H]1C ZINC000905486580 634871510 /nfs/dbraw/zinc/87/15/10/634871510.db2.gz OJZDPBLQVYEXNG-NNYUYHANSA-N 0 3 258.318 0.825 20 5 CCBDHN Cc1cc(C(=O)N(C)CCN(C)CCO)cc([N+](=O)[O-])c1 ZINC000912608862 636620583 /nfs/dbraw/zinc/62/05/83/636620583.db2.gz OPVJWWOXYAJFQJ-UHFFFAOYSA-N 0 3 295.339 0.899 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H](N3CCC3)C2)c1[N+](=O)[O-] ZINC000912916832 636701018 /nfs/dbraw/zinc/70/10/18/636701018.db2.gz AKMFJSMQCOSWMW-SECBINFHSA-N 0 3 279.300 0.547 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H](N3CCC3)C2)c1[N+](=O)[O-] ZINC000912916832 636701023 /nfs/dbraw/zinc/70/10/23/636701023.db2.gz AKMFJSMQCOSWMW-SECBINFHSA-N 0 3 279.300 0.547 20 5 CCBDHN CC(COC(=O)C(C)(C)c1cnn(C)c1)[N+](=O)[O-] ZINC000813105818 641022605 /nfs/dbraw/zinc/02/26/05/641022605.db2.gz VBPPFNNJRWOOBM-QMMMGPOBSA-N 0 3 255.274 0.906 20 5 CCBDHN CC(COC(=O)c1cncc(N2CCOCC2)c1)[N+](=O)[O-] ZINC000813107960 641023821 /nfs/dbraw/zinc/02/38/21/641023821.db2.gz ZTLAULILSBQTKH-SNVBAGLBSA-N 0 3 295.295 0.740 20 5 CCBDHN Cc1nn(C)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112272 641024209 /nfs/dbraw/zinc/02/42/09/641024209.db2.gz OWGZDTWZGNJBMI-SSDOTTSWSA-N 0 3 255.274 0.788 20 5 CCBDHN Cc1cc(F)cc(C(=O)NC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC000818612652 641341375 /nfs/dbraw/zinc/34/13/75/641341375.db2.gz VVPHPMPGAOGKLX-SNVBAGLBSA-N 0 3 297.286 0.761 20 5 CCBDHN Cc1nccn1C[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842321615 642891323 /nfs/dbraw/zinc/89/13/23/642891323.db2.gz YLFZXRJLOZMLML-FXBDTBDDSA-N 0 3 253.258 0.788 20 5 CCBDHN CC(COC(=O)[C@@H]1CCc2ncncc2C1)[N+](=O)[O-] ZINC000842801489 642956464 /nfs/dbraw/zinc/95/64/64/642956464.db2.gz ITMSXRFXOJLPEM-DTWKUNHWSA-N 0 3 265.269 0.790 20 5 CCBDHN C[C@@H](NC[C@H]1COCCN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000863545047 645105553 /nfs/dbraw/zinc/10/55/53/645105553.db2.gz GZUOTMBIZHZBTQ-KOLCDFICSA-N 0 3 280.328 0.816 20 5 CCBDHN C[C@H](O)[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000930355477 648342190 /nfs/dbraw/zinc/34/21/90/648342190.db2.gz YPCIRYHCURJOSW-GWCFXTLKSA-N 0 3 268.313 0.811 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCNC(C)(C)C1 ZINC000934054954 649154578 /nfs/dbraw/zinc/15/45/78/649154578.db2.gz ICWQYNAHRGJLEJ-UHFFFAOYSA-N 0 3 281.316 0.310 20 5 CCBDHN COc1nc(N2C[C@H]3CCCN(C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157259777 801336611 /nfs/dbraw/zinc/33/66/11/801336611.db2.gz FYLZNNRQKHLYDQ-MWLCHTKSSA-N 0 3 293.327 0.924 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1(C)CC1 ZINC001158535375 801663616 /nfs/dbraw/zinc/66/36/16/801663616.db2.gz SYLBOJXNGWYYBJ-UHFFFAOYSA-N 0 3 295.343 0.724 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H](C)[C@H]1CNCCO1 ZINC001159500316 801824574 /nfs/dbraw/zinc/82/45/74/801824574.db2.gz RUMHHRICWPGGDV-GXSJLCMTSA-N 0 3 282.300 0.325 20 5 CCBDHN Cc1cc(CN)nn1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001163980557 802643506 /nfs/dbraw/zinc/64/35/06/802643506.db2.gz YUGOOKXOYNIOAD-UHFFFAOYSA-N 0 3 267.220 0.320 20 5 CCBDHN O=[N+]([O-])c1cnc(-n2cnc3c2CNCC3)c([N+](=O)[O-])c1 ZINC001164314009 802720470 /nfs/dbraw/zinc/72/04/70/802720470.db2.gz YTKSYMCZEADUHG-UHFFFAOYSA-N 0 3 290.239 0.729 20 5 CCBDHN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1-n1cnc2c1CNCC2 ZINC001164313918 802720868 /nfs/dbraw/zinc/72/08/68/802720868.db2.gz WVTOFDRNELATJB-UHFFFAOYSA-N 0 3 295.686 0.713 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(C)(N(C)C)C2)n1 ZINC001165121269 802785707 /nfs/dbraw/zinc/78/57/07/802785707.db2.gz GQJWWMYSBZNQOR-UHFFFAOYSA-N 0 3 294.311 0.917 20 5 CCBDHN CO[C@@H](CN)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249369301 807552501 /nfs/dbraw/zinc/55/25/01/807552501.db2.gz GBVHEVOPPWBKHI-ZETCQYMHSA-N 0 3 283.219 0.825 20 5 CCBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C)C[C@@H](O)CO ZINC001254560640 808259729 /nfs/dbraw/zinc/25/97/29/808259729.db2.gz GQMCSQZRNTXDAG-CMPLNLGQSA-N 0 3 268.313 0.811 20 5 CCBDHN CN(C[C@@H](O)CO)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597138 808265920 /nfs/dbraw/zinc/26/59/20/808265920.db2.gz RSZVLWFBTVQEFJ-QWHCGFSZSA-N 0 3 266.297 0.347 20 5 CCBDHN CN1CCCC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001262809525 809413066 /nfs/dbraw/zinc/41/30/66/809413066.db2.gz HPNGWPHFNNEGSJ-JTQLQIEISA-N 0 3 281.316 0.392 20 5 CCBDHN CC(C)(O)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126476793 813857287 /nfs/dbraw/zinc/85/72/87/813857287.db2.gz IRPDNRFBXVLNSI-UHFFFAOYSA-N 0 3 295.339 0.962 20 5 CCBDHN CCC1([N-]c2ncnc(OC)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157779435 837430368 /nfs/dbraw/zinc/43/03/68/837430368.db2.gz WDRKWPUCJYAFOV-UHFFFAOYSA-N 0 3 253.262 0.557 20 5 CCBDHN CCOC(=O)CN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005686 836095781 /nfs/dbraw/zinc/09/57/81/836095781.db2.gz CGNGHXCXGXYONH-OLZOCXBDSA-N 0 3 299.371 0.613 20 5 CCBDHN COCCN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169014382 836099847 /nfs/dbraw/zinc/09/98/47/836099847.db2.gz YWLSWBIQKCLJPO-CHWSQXEVSA-N 0 3 271.361 0.696 20 5 CCBDHN NCc1cnnn1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001169308868 836209084 /nfs/dbraw/zinc/20/90/84/836209084.db2.gz SXEKQICCVIUMBM-UHFFFAOYSA-N 0 3 254.637 0.683 20 5 CCBDHN COc1nc(C)c(-n2nncc2CN)cc1[N+](=O)[O-] ZINC001169310262 836210067 /nfs/dbraw/zinc/21/00/67/836210067.db2.gz SICPMWPJWXSGQY-UHFFFAOYSA-N 0 3 264.245 0.346 20 5 CCBDHN CC(C)OCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112836075 836936826 /nfs/dbraw/zinc/93/68/26/836936826.db2.gz ZHTPJENJWRHUOO-CHWSQXEVSA-N 0 3 299.371 0.611 20 5 CCBDHN NCc1cnnn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001158420318 838153911 /nfs/dbraw/zinc/15/39/11/838153911.db2.gz NBRMUVLUPBPBSY-UHFFFAOYSA-N 0 3 271.240 0.577 20 5 CCBDHN Cc1nc(N[C@H](C)[C@@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001159502921 839344069 /nfs/dbraw/zinc/34/40/69/839344069.db2.gz QTDBAIFRYABAOR-SCZZXKLOSA-N 0 3 267.289 0.482 20 5 CCBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)CCN ZINC001173214894 842018008 /nfs/dbraw/zinc/01/80/08/842018008.db2.gz RFKGOCMZOPYUHS-VIFPVBQESA-N 0 3 287.341 0.404 20 5 CCBDHN C[C@]1(CO)C[C@H](O)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001196285753 846724056 /nfs/dbraw/zinc/72/40/56/846724056.db2.gz RNKKOAIYDWERFA-BFHYXJOUSA-N 0 3 296.323 0.446 20 5 CCBDHN CN1CC[C@@H]2CN(c3c([N+](=O)[O-])cnn3C)C[C@@H]21 ZINC001335527642 906870836 /nfs/dbraw/zinc/87/08/36/906870836.db2.gz RCJZOPKNWBUCJA-SCZZXKLOSA-N 0 3 251.290 0.469 20 5 CCBDHN O=[N+]([O-])c1cccnc1N1CC(N[C@@H]2CCOC2)C1 ZINC001307218066 908296677 /nfs/dbraw/zinc/29/66/77/908296677.db2.gz WPJIORHTDFAVLI-SECBINFHSA-N 0 3 264.285 0.557 20 5 CCBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001332525686 918254126 /nfs/dbraw/zinc/25/41/26/918254126.db2.gz AVEARIXFCDUENF-VHSXEESVSA-N 0 3 279.300 0.627 20 5 CCBDHN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3NC[C@@H]4C[C@@H]43)n2)n1C ZINC001351679324 925454343 /nfs/dbraw/zinc/45/43/43/925454343.db2.gz MEGDBGLMMBBTSH-BIIVOSGPSA-N 0 3 290.283 0.967 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001352096706 925522057 /nfs/dbraw/zinc/52/20/57/925522057.db2.gz HRNXNPPLXVDUKF-QWRGUYRKSA-N 0 3 295.343 0.364 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001357847625 926603171 /nfs/dbraw/zinc/60/31/71/926603171.db2.gz UFEJAGKWAFICFO-SNVBAGLBSA-N 0 3 291.307 0.764 20 5 CCBDHN COc1ccc(CNC[C@](C)(O)CO)cc1[N+](=O)[O-] ZINC000090288290 349434726 /nfs/dbraw/zinc/43/47/26/349434726.db2.gz CPCXBOPVGQCLKL-LBPRGKRZSA-N 0 3 270.285 0.436 20 5 CCBDHN COC[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551718 349439096 /nfs/dbraw/zinc/43/90/96/349439096.db2.gz BJZUOGMPEKBFDK-LBPRGKRZSA-N 0 3 281.312 0.867 20 5 CCBDHN Cc1noc(C)c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000091436495 349462920 /nfs/dbraw/zinc/46/29/20/349462920.db2.gz HBDXKTVZFVOLCO-NSHDSACASA-N 0 3 295.299 0.547 20 5 CCBDHN CC1(OCC(=O)NCc2ccc([N+](=O)[O-])cc2)CNC1 ZINC000098060782 349650829 /nfs/dbraw/zinc/65/08/29/349650829.db2.gz NHXHFCJMKYPZDJ-UHFFFAOYSA-N 0 3 279.296 0.590 20 5 CCBDHN CS(=O)(=O)C1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600551243 362009050 /nfs/dbraw/zinc/00/90/50/362009050.db2.gz IFCMJPRWJUFRCQ-JTQLQIEISA-N 0 3 284.293 0.745 20 5 CCBDHN Cn1cc(CN2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602716752 362768938 /nfs/dbraw/zinc/76/89/38/362768938.db2.gz CXYZEYUUUIKYAD-MWLCHTKSSA-N 0 3 266.301 0.797 20 5 CCBDHN CS[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000602795462 362804211 /nfs/dbraw/zinc/80/42/11/362804211.db2.gz AQLVVLHFBKSDII-QWRGUYRKSA-N 0 3 299.400 0.806 20 5 CCBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN3CCC[C@H]3CO2)nc1 ZINC000252565338 137002941 /nfs/dbraw/zinc/00/29/41/137002941.db2.gz YTPRECYDTNHXCD-ONGXEEELSA-N 0 3 279.300 0.660 20 5 CCBDHN CC[C@@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676270 348240964 /nfs/dbraw/zinc/24/09/64/348240964.db2.gz UPFJCQXCWDDIBI-LLVKDONJSA-N 0 3 251.286 0.991 20 5 CCBDHN C[C@]1(CO)C[C@@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000602906297 362878915 /nfs/dbraw/zinc/87/89/15/362878915.db2.gz IUBANDBPRHJSGX-ZIAGYGMSSA-N 0 3 280.324 0.955 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000602918060 362886407 /nfs/dbraw/zinc/88/64/07/362886407.db2.gz PYEODDKDRQBUIY-DMDPSCGWSA-N 0 3 280.328 0.945 20 5 CCBDHN CN(C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000055379174 348576862 /nfs/dbraw/zinc/57/68/62/348576862.db2.gz DUQBBJPGVOOSDW-UHFFFAOYSA-N 0 3 252.274 0.468 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)N1C ZINC000339628077 215276056 /nfs/dbraw/zinc/27/60/56/215276056.db2.gz GPMGQQDOTCBGTM-NQBHXWOUSA-N 0 3 297.359 0.177 20 5 CCBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](CN)C1 ZINC000122644433 350067493 /nfs/dbraw/zinc/06/74/93/350067493.db2.gz LTDIEEYONFVPSR-QMMMGPOBSA-N 0 3 284.341 0.371 20 5 CCBDHN C[C@@H]1C[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C ZINC000124100128 350088985 /nfs/dbraw/zinc/08/89/85/350088985.db2.gz FYRIOUWBMOACEX-MNOVXSKESA-N 0 3 295.343 0.732 20 5 CCBDHN O=C(C[C@@H]1CNCCO1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000091310294 180132174 /nfs/dbraw/zinc/13/21/74/180132174.db2.gz CLUFAFZDXOCHOT-CYBMUJFWSA-N 0 3 293.323 0.632 20 5 CCBDHN O=C(NCCCCN1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000136226869 350418898 /nfs/dbraw/zinc/41/88/98/350418898.db2.gz CMYMHWLUFXQKDJ-UHFFFAOYSA-N 0 3 297.315 0.160 20 5 CCBDHN CN1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151262743 350496903 /nfs/dbraw/zinc/49/69/03/350496903.db2.gz ZXVSJYOAMYQFFM-UHFFFAOYSA-N 0 3 296.331 0.185 20 5 CCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172605919 350997849 /nfs/dbraw/zinc/99/78/49/350997849.db2.gz RYNMDDUYCYWODN-PWSUYJOCSA-N 0 3 295.343 0.590 20 5 CCBDHN NC(=O)CC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176226503 351161908 /nfs/dbraw/zinc/16/19/08/351161908.db2.gz YZLKDMWVRRVAOO-LLVKDONJSA-N 0 3 295.343 0.769 20 5 CCBDHN CCN(CCC(=O)OC)CCn1ccc([N+](=O)[O-])n1 ZINC000176221028 351162092 /nfs/dbraw/zinc/16/20/92/351162092.db2.gz BTRRZURWJADMEV-UHFFFAOYSA-N 0 3 270.289 0.676 20 5 CCBDHN CN(CCN(C)C1CC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000186785977 351515746 /nfs/dbraw/zinc/51/57/46/351515746.db2.gz BMOSYZXPDWAJGF-UHFFFAOYSA-N 0 3 294.355 0.783 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000194093691 351856110 /nfs/dbraw/zinc/85/61/10/351856110.db2.gz QNVYVLLRXWAJFP-SNVBAGLBSA-N 0 3 295.343 0.851 20 5 CCBDHN CO[C@@H](CN)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000227380017 352049036 /nfs/dbraw/zinc/04/90/36/352049036.db2.gz AYVHMOVVTXBBHD-JTQLQIEISA-N 0 3 253.258 0.185 20 5 CCBDHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000227885410 352061827 /nfs/dbraw/zinc/06/18/27/352061827.db2.gz CAAFGRYNCZXZFH-QMMMGPOBSA-N 0 3 279.300 0.396 20 5 CCBDHN Cc1cc(S(=O)(=O)N2CCCNCC2)ccc1[N+](=O)[O-] ZINC000237783338 352283122 /nfs/dbraw/zinc/28/31/22/352283122.db2.gz ANNQGSKZORGMQT-UHFFFAOYSA-N 0 3 299.352 0.887 20 5 CCBDHN CN1CC[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272513311 353070400 /nfs/dbraw/zinc/07/04/00/353070400.db2.gz PAHXGODQDFXVIM-CMPLNLGQSA-N 0 3 293.327 0.344 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCN(C)C1 ZINC000604532358 363202049 /nfs/dbraw/zinc/20/20/49/363202049.db2.gz CKEIEQYZURQNSH-LLVKDONJSA-N 0 3 295.343 0.700 20 5 CCBDHN C[C@@H](O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272591221 353077310 /nfs/dbraw/zinc/07/73/10/353077310.db2.gz PMNCRLNVTGLXLS-NXEZZACHSA-N 0 3 254.290 0.494 20 5 CCBDHN COCCNCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000152262463 188005294 /nfs/dbraw/zinc/00/52/94/188005294.db2.gz JLTKQOBNHZODPN-UHFFFAOYSA-N 0 3 281.312 0.869 20 5 CCBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000152853234 188047901 /nfs/dbraw/zinc/04/79/01/188047901.db2.gz VHLABQFXOFFHGW-CYBMUJFWSA-N 0 3 281.312 0.637 20 5 CCBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CN1C1CC1 ZINC000286367390 353581603 /nfs/dbraw/zinc/58/16/03/353581603.db2.gz ACNQXYNKRJEMCJ-JGVFFNPUSA-N 0 3 279.300 0.673 20 5 CCBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000293421665 353810921 /nfs/dbraw/zinc/81/09/21/353810921.db2.gz NDFDHJAHKUWCKF-FXPVBKGRSA-N 0 3 254.290 0.492 20 5 CCBDHN Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000299537598 354025894 /nfs/dbraw/zinc/02/58/94/354025894.db2.gz GNBMFNRPAIIMNI-MRVPVSSYSA-N 0 3 267.289 0.450 20 5 CCBDHN COc1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1[N+](=O)[O-] ZINC000312179779 354206521 /nfs/dbraw/zinc/20/65/21/354206521.db2.gz UMQJYAWFYHUWAF-DTWKUNHWSA-N 0 3 281.268 0.265 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H]1O ZINC000352667669 356047244 /nfs/dbraw/zinc/04/72/44/356047244.db2.gz MIQMXELIELCSDC-WDEREUQCSA-N 0 3 254.290 0.637 20 5 CCBDHN CS(=O)(=O)NC1CC(NCc2ccccc2[N+](=O)[O-])C1 ZINC000619747991 366348397 /nfs/dbraw/zinc/34/83/97/366348397.db2.gz LZLOTEYOXPSVEP-UHFFFAOYSA-N 0 3 299.352 0.765 20 5 CCBDHN CC(C)N(CCN(C)C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000359485170 356831360 /nfs/dbraw/zinc/83/13/60/356831360.db2.gz RAHYLAFSUFGPEX-UHFFFAOYSA-N 0 3 283.332 0.741 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@](O)(C2CC2)C1 ZINC000366916057 357254727 /nfs/dbraw/zinc/25/47/27/357254727.db2.gz LIJQPUOQMMFZDP-AWEZNQCLSA-N 0 3 293.323 0.603 20 5 CCBDHN COC[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000610604884 363583872 /nfs/dbraw/zinc/58/38/72/363583872.db2.gz AYHATTXZQZGCHA-JTQLQIEISA-N 0 3 254.290 0.902 20 5 CCBDHN COC[C@@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610604898 363584957 /nfs/dbraw/zinc/58/49/57/363584957.db2.gz DAHNQGNQHJEANK-JQWIXIFHSA-N 0 3 284.316 0.263 20 5 CCBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533554257 358543206 /nfs/dbraw/zinc/54/32/06/358543206.db2.gz ZTSRGAAROMMUOD-UHFFFAOYSA-N 0 3 295.295 0.657 20 5 CCBDHN COC(=O)CC1(NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000573253999 358952796 /nfs/dbraw/zinc/95/27/96/358952796.db2.gz MVCOLMIRNPJPIK-UHFFFAOYSA-N 0 3 268.273 0.477 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN(C)C)c1 ZINC000588863878 359343726 /nfs/dbraw/zinc/34/37/26/359343726.db2.gz ZQUCHOKLQJCFJV-SECBINFHSA-N 0 3 297.311 0.256 20 5 CCBDHN O=C(N[C@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000588868651 359344759 /nfs/dbraw/zinc/34/47/59/359344759.db2.gz ASVFUJCPXGPZLP-LBPRGKRZSA-N 0 3 293.323 0.781 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590044651 359418779 /nfs/dbraw/zinc/41/87/79/359418779.db2.gz KNUIVZVPYRDDCK-GHMZBOCLSA-N 0 3 293.327 0.262 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590044653 359419424 /nfs/dbraw/zinc/41/94/24/359419424.db2.gz KNUIVZVPYRDDCK-QWRGUYRKSA-N 0 3 293.327 0.262 20 5 CCBDHN CN1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000590444245 359467160 /nfs/dbraw/zinc/46/71/60/359467160.db2.gz NBMQDJNHCIBYRD-SKDRFNHKSA-N 0 3 290.323 0.953 20 5 CCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000590447284 359469972 /nfs/dbraw/zinc/46/99/72/359469972.db2.gz XEXLQEFLXZYIGD-JQWIXIFHSA-N 0 3 293.327 0.344 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCOC1 ZINC000591756934 359653801 /nfs/dbraw/zinc/65/38/01/359653801.db2.gz HXTSAZBPHQCEQD-WDEREUQCSA-N 0 3 282.296 0.713 20 5 CCBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCCO)C1CC1 ZINC000611185199 363675240 /nfs/dbraw/zinc/67/52/40/363675240.db2.gz BQYQXGDOCFMQLQ-UHFFFAOYSA-N 0 3 281.312 0.603 20 5 CCBDHN COC(=O)[C@@H]1CNCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000592434475 359841125 /nfs/dbraw/zinc/84/11/25/359841125.db2.gz IIHIALLYKUZFBA-ZDUSSCGKSA-N 0 3 293.323 0.932 20 5 CCBDHN COCC1(N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000611178587 363673947 /nfs/dbraw/zinc/67/39/47/363673947.db2.gz GRHBGKAOJHZLBF-NSHDSACASA-N 0 3 284.316 0.263 20 5 CCBDHN NC1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000592565156 359892712 /nfs/dbraw/zinc/89/27/12/359892712.db2.gz VWPONJSGRKWYGG-UHFFFAOYSA-N 0 3 267.289 0.179 20 5 CCBDHN CN(C)CCN1CCN(c2ncc([N+](=O)[O-])s2)CC1=O ZINC000593486135 360096668 /nfs/dbraw/zinc/09/66/68/360096668.db2.gz MDSBSDOWHADZAI-UHFFFAOYSA-N 0 3 299.356 0.262 20 5 CCBDHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000595120573 360440596 /nfs/dbraw/zinc/44/05/96/360440596.db2.gz BICCBYZZHVVYBG-SECBINFHSA-N 0 3 287.341 0.789 20 5 CCBDHN O=[N+]([O-])c1cnn(CCNCc2cnc3n2CCC3)c1 ZINC000594931502 360419220 /nfs/dbraw/zinc/41/92/20/360419220.db2.gz PDMKCIWWJOJSKX-UHFFFAOYSA-N 0 3 276.300 0.724 20 5 CCBDHN N[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[C@H]1F ZINC000595231425 360452833 /nfs/dbraw/zinc/45/28/33/360452833.db2.gz UAFILIVZCKNKLR-HTQZYQBOSA-N 0 3 283.263 0.315 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](F)[C@H](N)C2)n1 ZINC000595260768 360464527 /nfs/dbraw/zinc/46/45/27/360464527.db2.gz KTBZKQURIWDXRY-HTQZYQBOSA-N 0 3 285.279 0.323 20 5 CCBDHN O=C1CC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@@H]2N1 ZINC000595735831 360634360 /nfs/dbraw/zinc/63/43/60/360634360.db2.gz DKVVKEGOUZAAAR-QWRGUYRKSA-N 0 3 293.327 0.392 20 5 CCBDHN CCN1CCN(CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596078611 360789910 /nfs/dbraw/zinc/78/99/10/360789910.db2.gz XSGNDCVBEQUGJS-UHFFFAOYSA-N 0 3 295.343 0.745 20 5 CCBDHN CCCN1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000598343895 361392663 /nfs/dbraw/zinc/39/26/63/361392663.db2.gz XXWMVUYRWPBWFR-SNVBAGLBSA-N 0 3 281.316 0.392 20 5 CCBDHN CC(C)[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1 ZINC000598575670 361447781 /nfs/dbraw/zinc/44/77/81/361447781.db2.gz VPMNMVPVYKVUSY-SECBINFHSA-N 0 3 267.289 0.388 20 5 CCBDHN O=[N+]([O-])c1ccc2[nH]c(=NCCN3CC[C@@H](O)C3)[nH]c2c1 ZINC000599175430 361598309 /nfs/dbraw/zinc/59/83/09/361598309.db2.gz AYISAXIJEUGDSC-SNVBAGLBSA-N 0 3 291.311 0.372 20 5 CCBDHN CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)CCN1CCO ZINC000614923432 364785543 /nfs/dbraw/zinc/78/55/43/364785543.db2.gz LMQFKWZXUQZHPR-UHFFFAOYSA-N 0 3 297.359 0.180 20 5 CCBDHN O=C1C[C@@]2(CCN(CCn3ccc([N+](=O)[O-])n3)C2)CN1 ZINC000278765844 194144867 /nfs/dbraw/zinc/14/48/67/194144867.db2.gz BYMVFZISETUYLZ-LBPRGKRZSA-N 0 3 279.300 0.003 20 5 CCBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1CO ZINC000248966130 285093540 /nfs/dbraw/zinc/09/35/40/285093540.db2.gz RWLUDGWETQCAEC-PWSUYJOCSA-N 0 3 281.312 0.459 20 5 CCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1O ZINC000249573688 285127978 /nfs/dbraw/zinc/12/79/78/285127978.db2.gz OXHHAXNPQOXBQX-VHSXEESVSA-N 0 3 254.290 0.494 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](CO)C1 ZINC000181904355 285165268 /nfs/dbraw/zinc/16/52/68/285165268.db2.gz ICKQLJGFLFHOAS-NWDGAFQWSA-N 0 3 296.323 0.649 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1O ZINC000186869605 388857877 /nfs/dbraw/zinc/85/78/77/388857877.db2.gz HJBQLUUNSBUOHG-KOLCDFICSA-N 0 3 254.290 0.494 20 5 CCBDHN CCN(C)C[C@@H](O)Cn1c(C)c([N+](=O)[O-])ccc1=O ZINC000311940829 389106168 /nfs/dbraw/zinc/10/61/68/389106168.db2.gz JLWIYWROKLYLKO-SNVBAGLBSA-N 0 3 269.301 0.378 20 5 CCBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356739913 389127847 /nfs/dbraw/zinc/12/78/47/389127847.db2.gz GZQSXRQNXGDZSE-VHSXEESVSA-N 0 3 295.343 0.787 20 5 CCBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000264626121 389339667 /nfs/dbraw/zinc/33/96/67/389339667.db2.gz WTCFZMNUJHBRRT-MRVPVSSYSA-N 0 3 283.332 0.950 20 5 CCBDHN CN1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)[C@H]2C1 ZINC000272188355 389466123 /nfs/dbraw/zinc/46/61/23/389466123.db2.gz LRXYVNMAETXXOU-SCZZXKLOSA-N 0 3 278.316 0.497 20 5 CCBDHN CCCN1CCC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000164488390 389435159 /nfs/dbraw/zinc/43/51/59/389435159.db2.gz LUPDNJZLBDMDOJ-LBPRGKRZSA-N 0 3 295.343 0.782 20 5 CCBDHN CN(C)[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000166371914 389441687 /nfs/dbraw/zinc/44/16/87/389441687.db2.gz YFHBRLJWPZGCGV-VIFPVBQESA-N 0 3 281.316 0.495 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CNCCO2)c(F)c1 ZINC000415097512 389658541 /nfs/dbraw/zinc/65/85/41/389658541.db2.gz SRWPELLCLWYWFT-LLVKDONJSA-N 0 3 269.276 0.812 20 5 CCBDHN C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000420332508 389984501 /nfs/dbraw/zinc/98/45/01/389984501.db2.gz GLILEBYJSQXFQP-LLVKDONJSA-N 0 3 292.339 0.851 20 5 CCBDHN CN(C)C1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420609670 390016582 /nfs/dbraw/zinc/01/65/82/390016582.db2.gz KPVFGMDMVJVUSV-UHFFFAOYSA-N 0 3 264.285 0.444 20 5 CCBDHN CC(C)N1CC[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000457102651 390029489 /nfs/dbraw/zinc/02/94/89/390029489.db2.gz ACNCSVFMFLPIGG-NSHDSACASA-N 0 3 295.343 0.732 20 5 CCBDHN CCOC[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488762251 390096114 /nfs/dbraw/zinc/09/61/14/390096114.db2.gz HGNWOOZHMZZNQH-LBPRGKRZSA-N 0 3 298.343 0.826 20 5 CCBDHN C[C@]1(CO)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000546101923 390344714 /nfs/dbraw/zinc/34/47/14/390344714.db2.gz IGGLQYSHLDNUQS-LLVKDONJSA-N 0 3 254.290 0.638 20 5 CCBDHN CCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000567521026 390702482 /nfs/dbraw/zinc/70/24/82/390702482.db2.gz NFWCCPVYBXVMRI-NSHDSACASA-N 0 3 269.301 0.378 20 5 CCBDHN Cc1cnc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000566985213 390664255 /nfs/dbraw/zinc/66/42/55/390664255.db2.gz AJQQDCZADKUJHT-NXEZZACHSA-N 0 3 291.311 0.046 20 5 CCBDHN CC[C@@H]1CN(C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572562053 390789794 /nfs/dbraw/zinc/78/97/94/390789794.db2.gz IRUXSHNQNZAECW-YPMHNXCESA-N 0 3 297.359 0.178 20 5 CCBDHN C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C)CN1 ZINC000237442960 131030772 /nfs/dbraw/zinc/03/07/72/131030772.db2.gz GCOGLQFFLGMQPN-RKDXNWHRSA-N 0 3 267.289 0.000 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000237442425 131031367 /nfs/dbraw/zinc/03/13/67/131031367.db2.gz KVCUONWLXCFJKU-RKDXNWHRSA-N 0 3 281.316 0.309 20 5 CCBDHN C[C@@H](O)CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246522559 131094838 /nfs/dbraw/zinc/09/48/38/131094838.db2.gz BXAHBKYFTGILKU-ZYHUDNBSSA-N 0 3 284.312 0.647 20 5 CCBDHN CCC[C@@](C)(N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000262578693 131236076 /nfs/dbraw/zinc/23/60/76/131236076.db2.gz PKXKHARTGMDIGL-LLVKDONJSA-N 0 3 269.305 0.425 20 5 CCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000356732580 144028422 /nfs/dbraw/zinc/02/84/22/144028422.db2.gz RZBWQYDGIRATAK-KOLCDFICSA-N 0 3 293.327 0.495 20 5 CCBDHN CN(C[C@H](O)COc1ccc([N+](=O)[O-])c(CO)c1)C1CC1 ZINC000357439568 144091657 /nfs/dbraw/zinc/09/16/57/144091657.db2.gz NCIACEJFBPAMSZ-LBPRGKRZSA-N 0 3 296.323 0.921 20 5 CCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285658041 196357326 /nfs/dbraw/zinc/35/73/26/196357326.db2.gz MAZWDYOZOWKZMF-XVKPBYJWSA-N 0 3 279.300 0.530 20 5 CCBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1N(C)C ZINC000285669009 196361231 /nfs/dbraw/zinc/36/12/31/196361231.db2.gz DVNBSFFJTQWFGB-RKDXNWHRSA-N 0 3 299.356 0.436 20 5 CCBDHN COC[C@@H](O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000071272309 176104799 /nfs/dbraw/zinc/10/47/99/176104799.db2.gz IPRJPHDFHNZMID-JTQLQIEISA-N 0 3 270.285 0.700 20 5 CCBDHN C[C@H]1COCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000433152602 279918396 /nfs/dbraw/zinc/91/83/96/279918396.db2.gz RYOITPXCIQZJMK-IUCAKERBSA-N 0 3 254.290 0.843 20 5 CCBDHN CN(C)C1(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000416302965 289044033 /nfs/dbraw/zinc/04/40/33/289044033.db2.gz PSXNOGOPKMNYCJ-UHFFFAOYSA-N 0 3 295.343 0.737 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272139497 303021014 /nfs/dbraw/zinc/02/10/14/303021014.db2.gz AZOAIESAJNCCNF-ZJUUUORDSA-N 0 3 265.317 0.859 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000166309560 327108720 /nfs/dbraw/zinc/10/87/20/327108720.db2.gz LBGODJFPMBHQQX-SNVBAGLBSA-N 0 3 293.327 0.639 20 5 CCBDHN CCCN1CCC[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000576853512 335255978 /nfs/dbraw/zinc/25/59/78/335255978.db2.gz XCXPVMJDEUBIFP-VIFPVBQESA-N 0 3 281.316 0.922 20 5 CCBDHN CCN(CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194361490 336018374 /nfs/dbraw/zinc/01/83/74/336018374.db2.gz PPQKKCUQDWINRU-NSHDSACASA-N 0 3 284.312 0.649 20 5 CCBDHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000381706198 336071418 /nfs/dbraw/zinc/07/14/18/336071418.db2.gz HUKDQRCSNZFAOS-YUMQZZPRSA-N 0 3 273.314 0.609 20 5 CCBDHN C[C@@H]1OCC[C@@H]1N(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000361580933 534173369 /nfs/dbraw/zinc/17/33/69/534173369.db2.gz DKVKKRLLALMMSN-QWRGUYRKSA-N 0 3 284.316 0.263 20 5 CCBDHN Cc1cc(C(=O)NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000157363431 524100288 /nfs/dbraw/zinc/10/02/88/524100288.db2.gz DWNLIBHZLNFPFO-LLVKDONJSA-N 0 3 279.296 0.621 20 5 CCBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCOC1 ZINC000361589599 528611728 /nfs/dbraw/zinc/61/17/28/528611728.db2.gz HOYXWTXNYZQALC-GFCCVEGCSA-N 0 3 281.312 0.867 20 5 CCBDHN CCN1CCC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000450220290 529102226 /nfs/dbraw/zinc/10/22/26/529102226.db2.gz YQVCWGNENRKMLH-JTQLQIEISA-N 0 3 290.327 0.956 20 5 CCBDHN CCN1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133430545 535509826 /nfs/dbraw/zinc/50/98/26/535509826.db2.gz ZJYFRNJORDAEFS-UHFFFAOYSA-N 0 3 295.343 0.654 20 5 CCBDHN O=[N+]([O-])CCN1CCC(CN2CCOCC2)CC1 ZINC000791054594 581206300 /nfs/dbraw/zinc/20/63/00/581206300.db2.gz VQLPANHWMVYSSK-UHFFFAOYSA-N 0 3 257.334 0.307 20 5 CCBDHN C[C@@H]1CCCN1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000783914260 581366903 /nfs/dbraw/zinc/36/69/03/581366903.db2.gz HQECNHUTRWPWIA-MRVPVSSYSA-N 0 3 267.289 0.532 20 5 CCBDHN C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCCCC1 ZINC000766812612 581582087 /nfs/dbraw/zinc/58/20/87/581582087.db2.gz JKJJMQDYYGQBDV-SNVBAGLBSA-N 0 3 295.343 0.933 20 5 CCBDHN CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000762815839 581963977 /nfs/dbraw/zinc/96/39/77/581963977.db2.gz KHHMIVCOCPDQMJ-LBPRGKRZSA-N 0 3 296.283 0.982 20 5 CCBDHN CN1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000762815837 581964000 /nfs/dbraw/zinc/96/40/00/581964000.db2.gz KHHMIVCOCPDQMJ-GFCCVEGCSA-N 0 3 296.283 0.982 20 5 CCBDHN CNC(=O)CCN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582083 582080377 /nfs/dbraw/zinc/08/03/77/582080377.db2.gz PRHQNBWGZGHSFE-LBPRGKRZSA-N 0 3 281.312 0.696 20 5 CCBDHN CC(C)CCC(=O)NCC(=O)OCC(C)[N+](=O)[O-] ZINC000813106724 614022832 /nfs/dbraw/zinc/02/28/32/614022832.db2.gz GEPDIWOEKDNXOF-SECBINFHSA-N 0 3 260.290 0.747 20 5 CCBDHN COc1ccc(C(=O)NCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107388 617228230 /nfs/dbraw/zinc/22/82/30/617228230.db2.gz MTLUMPMUTMDCND-VIFPVBQESA-N 0 3 296.279 0.633 20 5 CCBDHN CC(C)([NH3+])CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735671473 614163084 /nfs/dbraw/zinc/16/30/84/614163084.db2.gz WKAUXOPTEYBJHZ-UHFFFAOYSA-N 0 3 278.276 0.319 20 5 CCBDHN CC(C)([NH3+])CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735671473 614163085 /nfs/dbraw/zinc/16/30/85/614163085.db2.gz WKAUXOPTEYBJHZ-UHFFFAOYSA-N 0 3 278.276 0.319 20 5 CCBDHN CCCC(=O)N1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110926 614760089 /nfs/dbraw/zinc/76/00/89/614760089.db2.gz MDYYLNIBUUJONX-NXEZZACHSA-N 0 3 272.301 0.986 20 5 CCBDHN CCCC(=O)N1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110928 614760320 /nfs/dbraw/zinc/76/03/20/614760320.db2.gz MDYYLNIBUUJONX-VHSXEESVSA-N 0 3 272.301 0.986 20 5 CCBDHN CCN1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819350767 615421734 /nfs/dbraw/zinc/42/17/34/615421734.db2.gz ULXTZDPSZJLFPZ-YPMHNXCESA-N 0 3 293.323 0.839 20 5 CCBDHN CC[C@@H](CO)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000916570462 615490656 /nfs/dbraw/zinc/49/06/56/615490656.db2.gz FDAZMUCHZYHQRD-VIFPVBQESA-N 0 3 297.311 0.902 20 5 CCBDHN CC[C@H](C)[C@H](NC(C)=O)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112952 615697673 /nfs/dbraw/zinc/69/76/73/615697673.db2.gz MNUKHHKGLGXVBS-NRPADANISA-N 0 3 260.290 0.746 20 5 CCBDHN CCc1nn(C)c(N2CCN3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000599083435 615794121 /nfs/dbraw/zinc/79/41/21/615794121.db2.gz LZWVVVNSXKXVRZ-VIFPVBQESA-N 0 3 265.317 0.785 20 5 CCBDHN CN(C)C[C@H](CO)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000808175080 615937988 /nfs/dbraw/zinc/93/79/88/615937988.db2.gz RRYVOAVEIJDIOI-VVEJJEBESA-N 0 3 293.323 0.647 20 5 CCBDHN CN1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822190123 616185124 /nfs/dbraw/zinc/18/51/24/616185124.db2.gz YFKDIECVKBAUOZ-UHFFFAOYSA-N 0 3 257.334 0.986 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1N1CCN(C)CCN(C)CC1 ZINC000897098858 616237146 /nfs/dbraw/zinc/23/71/46/616237146.db2.gz HZTLWAMRJPQPSS-UHFFFAOYSA-N 0 3 282.348 0.012 20 5 CCBDHN COC(=O)[C@@H]1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000842364450 616361635 /nfs/dbraw/zinc/36/16/35/616361635.db2.gz XZZMXNHGLYVABL-YIZRAAEISA-N 0 3 259.258 0.784 20 5 CCBDHN COCC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000884064607 616632453 /nfs/dbraw/zinc/63/24/53/616632453.db2.gz NZBWGTMVSGCQKZ-LLVKDONJSA-N 0 3 279.296 0.848 20 5 CCBDHN CO[C@@H]1CCn2cc(C(=O)OCC(C)[N+](=O)[O-])nc2C1 ZINC000870377285 616721010 /nfs/dbraw/zinc/72/10/10/616721010.db2.gz PMTSBCLTMWPPSZ-RKDXNWHRSA-N 0 3 283.284 0.666 20 5 CCBDHN COCCn1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000870376096 616729730 /nfs/dbraw/zinc/72/97/30/616729730.db2.gz AKCNSEAWZFCKNA-MRVPVSSYSA-N 0 3 257.246 0.352 20 5 CCBDHN CO[C@H]1CC[C@@H]1N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000934115729 617104047 /nfs/dbraw/zinc/10/40/47/617104047.db2.gz SFFLHATZGVWOFW-RYUDHWBXSA-N 0 3 281.312 0.866 20 5 CCBDHN CC(COC(=O)CO[C@@H](C)c1nccn1C)[N+](=O)[O-] ZINC000813115372 624675415 /nfs/dbraw/zinc/67/54/15/624675415.db2.gz QDWOQRNZFCQMGZ-IUCAKERBSA-N 0 3 271.273 0.706 20 5 CCBDHN O=C(N[C@H]1C[C@@H](NCc2cscn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022065014 624869976 /nfs/dbraw/zinc/86/99/76/624869976.db2.gz TYZIFANWEZZCOU-JZSSXWJLSA-N 0 3 296.352 0.545 20 5 CCBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1C ZINC000902930096 634498407 /nfs/dbraw/zinc/49/84/07/634498407.db2.gz ZVTGEVQHPSTFRS-SCZZXKLOSA-N 0 3 266.301 0.756 20 5 CCBDHN O=[N+]([O-])CCN[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000905355001 634846906 /nfs/dbraw/zinc/84/69/06/634846906.db2.gz QZVKGVZZGCXIPN-CABCVRRESA-N 0 3 293.367 0.736 20 5 CCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)CCO ZINC000912610151 636621244 /nfs/dbraw/zinc/62/12/44/636621244.db2.gz FBSAJTLCMBUPKF-UHFFFAOYSA-N 0 3 296.327 0.294 20 5 CCBDHN CC(COC(=O)c1nn(C)c(=O)c2ccccc21)[N+](=O)[O-] ZINC000813105430 641021767 /nfs/dbraw/zinc/02/17/67/641021767.db2.gz MDQXCFXRQVIQRO-MRVPVSSYSA-N 0 3 291.263 0.756 20 5 CCBDHN CC(COC(=O)c1ccc(S(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813104009 641022167 /nfs/dbraw/zinc/02/21/67/641022167.db2.gz VZIOBMYKHHXSRB-QMMMGPOBSA-N 0 3 287.293 0.912 20 5 CCBDHN CC(COC(=O)CCCN1C(=O)CCC1=O)[N+](=O)[O-] ZINC000813102947 641022739 /nfs/dbraw/zinc/02/27/39/641022739.db2.gz WQMXIFRKNUHFCN-MRVPVSSYSA-N 0 3 272.257 0.124 20 5 CCBDHN CC(COC(=O)c1ccc(N2CCCC2)nn1)[N+](=O)[O-] ZINC000813109979 641023416 /nfs/dbraw/zinc/02/34/16/641023416.db2.gz YCHOQFRUZPZEDB-SECBINFHSA-N 0 3 280.284 0.899 20 5 CCBDHN CC(COC(=O)c1sccc1-n1cnnn1)[N+](=O)[O-] ZINC000813106713 641023446 /nfs/dbraw/zinc/02/34/46/641023446.db2.gz GEINXYBSLABIRI-LURJTMIESA-N 0 3 283.269 0.546 20 5 CCBDHN CC(COC(=O)c1cccc(NC(N)=O)c1)[N+](=O)[O-] ZINC000813110693 641024271 /nfs/dbraw/zinc/02/42/71/641024271.db2.gz HOGZTDFAAVCZQW-SSDOTTSWSA-N 0 3 267.241 0.999 20 5 CCBDHN CC(COC(=O)c1ccc2nncn2c1)[N+](=O)[O-] ZINC000813114972 641024576 /nfs/dbraw/zinc/02/45/76/641024576.db2.gz ZEPNZCHFQDRFOV-SSDOTTSWSA-N 0 3 250.214 0.551 20 5 CCBDHN CC(COC(=O)COCc1cccnc1)[N+](=O)[O-] ZINC000813112723 641025002 /nfs/dbraw/zinc/02/50/02/641025002.db2.gz JWZXVOJDTPECAU-SECBINFHSA-N 0 3 254.242 0.807 20 5 CCBDHN CC(COC(=O)c1cnc(N(C)C)cn1)[N+](=O)[O-] ZINC000847714473 643548970 /nfs/dbraw/zinc/54/89/70/643548970.db2.gz VFSKNJDREUALTI-ZETCQYMHSA-N 0 3 254.246 0.365 20 5 CCBDHN O=[N+]([O-])c1cc(CO)c(NCCN2CC[C@H](O)C2)cc1F ZINC000865977663 645451430 /nfs/dbraw/zinc/45/14/30/645451430.db2.gz QHXHNFWOJCPNTI-JTQLQIEISA-N 0 3 299.302 0.705 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](O)CO ZINC000873117483 646350787 /nfs/dbraw/zinc/35/07/87/646350787.db2.gz WHBAKHJVBYPQSO-SNVBAGLBSA-N 0 3 254.286 0.654 20 5 CCBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@H](CO)[C@H](CO)C1 ZINC000879694278 647096443 /nfs/dbraw/zinc/09/64/43/647096443.db2.gz ZNQUFAQKVCYEKE-TXEJJXNPSA-N 0 3 296.323 0.506 20 5 CCBDHN Cc1nc(NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000134274764 647715970 /nfs/dbraw/zinc/71/59/70/647715970.db2.gz QHKMUAGKGPYRRP-VIFPVBQESA-N 0 3 252.274 0.699 20 5 CCBDHN C[C@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000928449017 648637281 /nfs/dbraw/zinc/63/72/81/648637281.db2.gz DIRURVLNWJQQFQ-WCBMZHEXSA-N 0 3 267.289 0.000 20 5 CCBDHN CCCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154149884 800730196 /nfs/dbraw/zinc/73/01/96/800730196.db2.gz YHNBJDZBSQUNAR-UHFFFAOYSA-N 0 3 283.332 0.724 20 5 CCBDHN CN1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C(C)(C)C1 ZINC001156590525 801192171 /nfs/dbraw/zinc/19/21/71/801192171.db2.gz MWYZYQXDHJUZOA-JTQLQIEISA-N 0 3 266.301 0.993 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CN(C)CC1(C)C ZINC001156597189 801193300 /nfs/dbraw/zinc/19/33/00/801193300.db2.gz GAQGFBWSTSARBT-JTQLQIEISA-N 0 3 295.343 0.556 20 5 CCBDHN CN1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]21 ZINC001157259457 801335681 /nfs/dbraw/zinc/33/56/81/801335681.db2.gz FEKQCETZPBCFHX-CMPLNLGQSA-N 0 3 278.312 0.759 20 5 CCBDHN Cc1ccnc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157760768 801473999 /nfs/dbraw/zinc/47/39/99/801473999.db2.gz IWYXHCCVJCEZAK-GHMZBOCLSA-N 0 3 293.327 0.046 20 5 CCBDHN CN(c1c(Cl)cncc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164296859 802711213 /nfs/dbraw/zinc/71/12/13/802711213.db2.gz RDMOHIYSGRNGIA-UHFFFAOYSA-N 0 3 294.720 0.368 20 5 CCBDHN Cc1c(N(C)S(=O)(=O)CCN)cc(F)cc1[N+](=O)[O-] ZINC001164296985 802711662 /nfs/dbraw/zinc/71/16/62/802711662.db2.gz UMXQRMFPPGJKME-UHFFFAOYSA-N 0 3 291.304 0.767 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1CCS(=O)(=O)C1)C2 ZINC001254566970 808259641 /nfs/dbraw/zinc/25/96/41/808259641.db2.gz LVCNGUZVWZGMOL-VXGBXAGGSA-N 0 3 296.348 0.839 20 5 CCBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1C[C@H](CO)[C@H](O)C1)C2 ZINC001254592950 808264117 /nfs/dbraw/zinc/26/41/17/808264117.db2.gz HUCZBOOYMWEVRK-MRVWCRGKSA-N 0 3 278.308 0.347 20 5 CCBDHN COCCN1CCC(Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226733622 814114426 /nfs/dbraw/zinc/11/44/26/814114426.db2.gz QZTZLQXZBQLVCG-UHFFFAOYSA-N 0 3 282.300 0.874 20 5 CCBDHN O=C(NC1CN(CC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030293780 815962501 /nfs/dbraw/zinc/96/25/01/815962501.db2.gz RUZRLRFIKHTNTQ-GHMZBOCLSA-N 0 3 253.302 0.252 20 5 CCBDHN CN(C)C[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000702391670 819115764 /nfs/dbraw/zinc/11/57/64/819115764.db2.gz ZTCZFXCVXYTXOG-NSHDSACASA-N 0 3 280.328 0.442 20 5 CCBDHN CC(=O)N[C@H]1CC[C@H](NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001034571778 819242720 /nfs/dbraw/zinc/24/27/20/819242720.db2.gz GJQFGIJTATVKKH-XYPYZODXSA-N 0 3 295.343 0.865 20 5 CCBDHN Cc1nc(=N)n([C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1CN ZINC001169006305 836094786 /nfs/dbraw/zinc/09/47/86/836094786.db2.gz XGPQIFZVIPUOMR-GXSJLCMTSA-N 0 3 265.317 0.748 20 5 CCBDHN NC(=O)[C@@H]1CCCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026789 836114790 /nfs/dbraw/zinc/11/47/90/836114790.db2.gz OBWRCSLTNSUSKW-MXWKQRLJSA-N 0 3 255.318 0.772 20 5 CCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2Cc3ccnn3CC[C@H]2CO)C1 ZINC001169047898 836116947 /nfs/dbraw/zinc/11/69/47/836116947.db2.gz SKSADOMIWWSBNP-DYEKYZERSA-N 0 3 294.355 0.895 20 5 CCBDHN COc1nc(C)nc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001169228688 836163590 /nfs/dbraw/zinc/16/35/90/836163590.db2.gz RBIMUOBURINQCP-LURJTMIESA-N 0 3 278.272 0.907 20 5 CCBDHN NCc1cnnn1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001169310506 836209388 /nfs/dbraw/zinc/20/93/88/836209388.db2.gz ZHMHIXHMAXUFHG-UHFFFAOYSA-N 0 3 259.229 0.282 20 5 CCBDHN NCc1cnnn1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001169310247 836209992 /nfs/dbraw/zinc/20/99/92/836209992.db2.gz RQSKRYTXQMFPSN-UHFFFAOYSA-N 0 3 255.184 0.912 20 5 CCBDHN COc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CNCCO2)n1 ZINC001170559340 838084207 /nfs/dbraw/zinc/08/42/07/838084207.db2.gz WCTVRLYOOKHASD-WCBMZHEXSA-N 0 3 282.300 0.787 20 5 CCBDHN COc1nc(C)nc(N[C@@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170560915 838102204 /nfs/dbraw/zinc/10/22/04/838102204.db2.gz AYKNDEXVULNPTL-IONNQARKSA-N 0 3 297.315 0.491 20 5 CCBDHN Cc1c[n+]([O-])c(N[C@@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170561647 838103877 /nfs/dbraw/zinc/10/38/77/838103877.db2.gz GCTWUGGJOYIAMY-ONGXEEELSA-N 0 3 282.300 0.325 20 5 CCBDHN COc1ncc([N+](=O)[O-])c(N[C@H](C)[C@H]2CNCCO2)n1 ZINC001170566283 838126571 /nfs/dbraw/zinc/12/65/71/838126571.db2.gz XMIAZUJQQNZXNE-VXNVDRBHSA-N 0 3 283.288 0.182 20 5 CCBDHN CC(COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[N+](=O)[O-] ZINC000813101505 838675644 /nfs/dbraw/zinc/67/56/44/838675644.db2.gz BYFASEJFXHJSKZ-ZETCQYMHSA-N 0 3 292.247 0.734 20 5 CCBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000716679139 841670990 /nfs/dbraw/zinc/67/09/90/841670990.db2.gz MOLVWBZINNTDCD-MRVPVSSYSA-N 0 3 284.272 0.837 20 5 CCBDHN C[C@H](O)[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000717289891 848218785 /nfs/dbraw/zinc/21/87/85/848218785.db2.gz ZAXWXSYMCMJRBG-AUTRQRHGSA-N 0 3 254.286 0.987 20 5 CCBDHN CN1CCNC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000686124370 849062323 /nfs/dbraw/zinc/06/23/23/849062323.db2.gz SKRORLSNDSMDRI-LBPRGKRZSA-N 0 3 278.312 0.115 20 5 CCBDHN CN1CCNC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000686127347 849063033 /nfs/dbraw/zinc/06/30/33/849063033.db2.gz ZPFAQTZWQOLROG-LBPRGKRZSA-N 0 3 278.312 0.115 20 5 CCBDHN CN1CCNC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001339996776 921907873 /nfs/dbraw/zinc/90/78/73/921907873.db2.gz UVLZFCYAOBWAIV-ZDUSSCGKSA-N 0 3 292.339 0.157 20 5 CCBDHN CCCCN(CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090525951 349438582 /nfs/dbraw/zinc/43/85/82/349438582.db2.gz QRMNNYZMRCCNHM-UHFFFAOYSA-N 0 3 283.328 0.851 20 5 CCBDHN CCN(CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090525936 349438684 /nfs/dbraw/zinc/43/86/84/349438684.db2.gz ZDTCPIKRZHUBDH-UHFFFAOYSA-N 0 3 255.274 0.071 20 5 CCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1C ZINC000600271914 361911082 /nfs/dbraw/zinc/91/10/82/361911082.db2.gz KGKMEZPGNKLQNF-SECBINFHSA-N 0 3 266.301 0.757 20 5 CCBDHN CN1C[C@@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425060754 529823122 /nfs/dbraw/zinc/82/31/22/529823122.db2.gz WXZARCTZFGENBM-WCBMZHEXSA-N 0 3 279.300 0.484 20 5 CCBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)CN1 ZINC000262317629 137037426 /nfs/dbraw/zinc/03/74/26/137037426.db2.gz DRKWQFWLZUTWJF-RKDXNWHRSA-N 0 3 278.312 0.999 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)CCO ZINC000602866002 362849565 /nfs/dbraw/zinc/84/95/65/362849565.db2.gz CRUOUVYTHVAECJ-SECBINFHSA-N 0 3 256.306 0.802 20 5 CCBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cnn(C)c1 ZINC000314384014 137079037 /nfs/dbraw/zinc/07/90/37/137079037.db2.gz UDOBFKVOHNETCK-BXKDBHETSA-N 0 3 294.315 0.237 20 5 CCBDHN C[C@]1(CO)C[C@@H](O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000602904193 362877247 /nfs/dbraw/zinc/87/72/47/362877247.db2.gz BQNKYENEVAHUPJ-TZMCWYRMSA-N 0 3 296.323 0.791 20 5 CCBDHN C[C@H](CN(C)C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000346227846 137273582 /nfs/dbraw/zinc/27/35/82/137273582.db2.gz QYDDHSBRVUBVQJ-MRVPVSSYSA-N 0 3 266.301 0.857 20 5 CCBDHN O=[N+]([O-])c1cccc(OCCN2[C@@H](CO)CC[C@H]2CO)c1 ZINC000347319975 137331212 /nfs/dbraw/zinc/33/12/12/137331212.db2.gz RQCUCNRLGIDWCC-BETUJISGSA-N 0 3 296.323 0.791 20 5 CCBDHN O=C(CCOC1CNC1)NCc1ccccc1[N+](=O)[O-] ZINC000349041360 137384904 /nfs/dbraw/zinc/38/49/04/137384904.db2.gz BFNJFTGRIVZCDI-UHFFFAOYSA-N 0 3 279.296 0.590 20 5 CCBDHN C[C@@H]1[C@@H](CO)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000412098981 233057697 /nfs/dbraw/zinc/05/76/97/233057697.db2.gz VYCXJECFJHZHNV-GHMZBOCLSA-N 0 3 268.317 0.884 20 5 CCBDHN CNCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000070303987 348883786 /nfs/dbraw/zinc/88/37/86/348883786.db2.gz IVJWJZASDNFHEX-UHFFFAOYSA-N 0 3 287.341 0.743 20 5 CCBDHN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000124295800 350094560 /nfs/dbraw/zinc/09/45/60/350094560.db2.gz FNDIFWPJQSYRCT-GFCCVEGCSA-N 0 3 278.312 0.310 20 5 CCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1CNCCO1 ZINC000091300864 180128488 /nfs/dbraw/zinc/12/84/88/180128488.db2.gz YIYJCSSQRWOBQW-GFCCVEGCSA-N 0 3 293.323 0.932 20 5 CCBDHN CN(CCc1cnccn1)CCn1cc([N+](=O)[O-])cn1 ZINC000271291488 191054611 /nfs/dbraw/zinc/05/46/11/191054611.db2.gz CIXPZMHBZUSBHI-UHFFFAOYSA-N 0 3 276.300 0.756 20 5 CCBDHN COC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000127969372 350181815 /nfs/dbraw/zinc/18/18/15/350181815.db2.gz OCLWAJVIAJVVDN-CMPLNLGQSA-N 0 3 296.327 0.483 20 5 CCBDHN CC[C@@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000130539622 350239888 /nfs/dbraw/zinc/23/98/88/350239888.db2.gz NVJMCMMITUQANF-MWLCHTKSSA-N 0 3 293.327 0.740 20 5 CCBDHN CN1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000143082655 350457942 /nfs/dbraw/zinc/45/79/42/350457942.db2.gz YBLWJZHGNZVTRK-UHFFFAOYSA-N 0 3 267.289 0.002 20 5 CCBDHN CN(CCNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000144577333 350463435 /nfs/dbraw/zinc/46/34/35/350463435.db2.gz WCOKGYBXPDDOEL-UHFFFAOYSA-N 0 3 267.289 0.002 20 5 CCBDHN C[C@@H]1CC[C@@H](C(N)=O)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000176229952 351162935 /nfs/dbraw/zinc/16/29/35/351162935.db2.gz VIWJVBWKPPVRHG-NXEZZACHSA-N 0 3 281.316 0.377 20 5 CCBDHN C[C@H](CO)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182247429 351353940 /nfs/dbraw/zinc/35/39/40/351353940.db2.gz RIBTXAXMWJHLNY-MNOVXSKESA-N 0 3 284.312 0.647 20 5 CCBDHN C[C@@H](O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000192817156 351799971 /nfs/dbraw/zinc/79/99/71/351799971.db2.gz YSVGUKFAGCNNJR-VXGBXAGGSA-N 0 3 297.359 0.178 20 5 CCBDHN C[C@@H](CN(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000222951258 351985091 /nfs/dbraw/zinc/98/50/91/351985091.db2.gz XKTIJEPEUQZTIP-ZETCQYMHSA-N 0 3 284.291 0.996 20 5 CCBDHN CO[C@H](CN)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000227412297 352050098 /nfs/dbraw/zinc/05/00/98/352050098.db2.gz GWIPRICVEUWRGA-LLVKDONJSA-N 0 3 267.285 0.493 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(O)cc2)c1 ZINC000228412275 352074087 /nfs/dbraw/zinc/07/40/87/352074087.db2.gz SEFWHBHXTOPWKK-ZDUSSCGKSA-N 0 3 292.295 0.648 20 5 CCBDHN CNCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237225587 352254796 /nfs/dbraw/zinc/25/47/96/352254796.db2.gz FDCOIZFEBLEVPZ-UHFFFAOYSA-N 0 3 252.274 0.342 20 5 CCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[NH2+]C2CC2)s1 ZINC000237970047 352291995 /nfs/dbraw/zinc/29/19/95/352291995.db2.gz WECJDOBVMWPOGU-UHFFFAOYSA-N 0 3 291.354 0.687 20 5 CCBDHN C[C@H]1CSCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247701214 352424864 /nfs/dbraw/zinc/42/48/64/352424864.db2.gz XYCIPXAFKAVRMM-GXSJLCMTSA-N 0 3 286.357 0.590 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](CO)C2)c1 ZINC000267031107 352739800 /nfs/dbraw/zinc/73/98/00/352739800.db2.gz MQEPSTIYAZQFMN-JTQLQIEISA-N 0 3 254.290 0.496 20 5 CCBDHN CS[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271140222 353025489 /nfs/dbraw/zinc/02/54/89/353025489.db2.gz OWOPLDXHTMTKLI-BDAKNGLRSA-N 0 3 299.356 0.436 20 5 CCBDHN CN(C[C@H]1CCN(C)C1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271159537 353027430 /nfs/dbraw/zinc/02/74/30/353027430.db2.gz WBEAZWFEVPFRLP-VIFPVBQESA-N 0 3 281.316 0.352 20 5 CCBDHN C[C@@]1(C(N)=O)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280815786 353385497 /nfs/dbraw/zinc/38/54/97/353385497.db2.gz UGINTHUMISPTRW-GXTWGEPZSA-N 0 3 293.323 0.826 20 5 CCBDHN CN(CCOCCO)CCOc1ccccc1[N+](=O)[O-] ZINC000282504218 353430145 /nfs/dbraw/zinc/43/01/45/353430145.db2.gz OESNFQOJAOYNDO-UHFFFAOYSA-N 0 3 284.312 0.914 20 5 CCBDHN CCN1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000299618629 354033323 /nfs/dbraw/zinc/03/33/23/354033323.db2.gz KSIDTPQCFYVLBC-UHFFFAOYSA-N 0 3 281.316 0.346 20 5 CCBDHN C[C@H]1CCC[C@H](C)N1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000341112648 355608675 /nfs/dbraw/zinc/60/86/75/355608675.db2.gz XZGOBJTZBABYQE-UWVGGRQHSA-N 0 3 294.359 0.894 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1O ZINC000352667667 356047183 /nfs/dbraw/zinc/04/71/83/356047183.db2.gz MIQMXELIELCSDC-MNOVXSKESA-N 0 3 254.290 0.637 20 5 CCBDHN CCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352858480 356097606 /nfs/dbraw/zinc/09/76/06/356097606.db2.gz DAIWIJHXMYDEBQ-UHFFFAOYSA-N 0 3 269.305 0.780 20 5 CCBDHN C[C@@H]1CCN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000354008308 356329845 /nfs/dbraw/zinc/32/98/45/356329845.db2.gz SDDKAHSDALBJKF-SNVBAGLBSA-N 0 3 281.316 0.344 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000362073225 138045043 /nfs/dbraw/zinc/04/50/43/138045043.db2.gz VHNOYFBLEQSGLC-NXEZZACHSA-N 0 3 254.290 0.352 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)C1CC1 ZINC000356275775 356738283 /nfs/dbraw/zinc/73/82/83/356738283.db2.gz IKGKVAWGEITNQM-UHFFFAOYSA-N 0 3 295.343 0.652 20 5 CCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H](F)CN1 ZINC000366460463 357212427 /nfs/dbraw/zinc/21/24/27/357212427.db2.gz ILYMUUHSKUGVJX-QWRGUYRKSA-N 0 3 281.287 0.954 20 5 CCBDHN Cc1nn(C)c(NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450589877 236097629 /nfs/dbraw/zinc/09/76/29/236097629.db2.gz CYVAUTSGPPXWGC-NSHDSACASA-N 0 3 297.359 0.895 20 5 CCBDHN O=[N+]([O-])c1cnccc1NC[C@H]1CCCN1CCCO ZINC000450598164 236098731 /nfs/dbraw/zinc/09/87/31/236098731.db2.gz QEKCSAQIFAHTIT-LLVKDONJSA-N 0 3 280.328 0.670 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000408038268 357880531 /nfs/dbraw/zinc/88/05/31/357880531.db2.gz LVIAVQNZQIDULU-ZYHUDNBSSA-N 0 3 295.343 0.233 20 5 CCBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc([N+](=O)[O-])c[nH]1 ZINC000452784887 236261164 /nfs/dbraw/zinc/26/11/64/236261164.db2.gz QROVMGZEEWRTOK-JTQLQIEISA-N 0 3 296.327 0.500 20 5 CCBDHN CCN1CCC[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000562392664 291149227 /nfs/dbraw/zinc/14/92/27/291149227.db2.gz VXJPKNNYZRQKKD-MRVPVSSYSA-N 0 3 267.289 0.532 20 5 CCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CC[C@H]2O)c1 ZINC000574084406 359027559 /nfs/dbraw/zinc/02/75/59/359027559.db2.gz MHQKZNVFQMXQDW-CYZMBNFOSA-N 0 3 282.296 0.447 20 5 CCBDHN COc1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000588864246 359343007 /nfs/dbraw/zinc/34/30/07/359343007.db2.gz BSVCVUMAVJPYMC-SNVBAGLBSA-N 0 3 297.311 0.256 20 5 CCBDHN COc1ccc(C(=O)N[C@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000588864245 359343177 /nfs/dbraw/zinc/34/31/77/359343177.db2.gz BSVCVUMAVJPYMC-JTQLQIEISA-N 0 3 297.311 0.256 20 5 CCBDHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)cc([N+](=O)[O-])c1 ZINC000588866200 359344538 /nfs/dbraw/zinc/34/45/38/359344538.db2.gz HHPYWBLCBIEXNH-LLVKDONJSA-N 0 3 281.312 0.556 20 5 CCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(C3CC3)C2)c1 ZINC000589656427 359395933 /nfs/dbraw/zinc/39/59/33/359395933.db2.gz BZQQCGQQTIUNBB-GFCCVEGCSA-N 0 3 266.301 0.494 20 5 CCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCOC1 ZINC000591756931 359653749 /nfs/dbraw/zinc/65/37/49/359653749.db2.gz HXTSAZBPHQCEQD-GHMZBOCLSA-N 0 3 282.296 0.713 20 5 CCBDHN N[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000563090897 291191121 /nfs/dbraw/zinc/19/11/21/291191121.db2.gz WNRMSLSECXXYTH-SNVBAGLBSA-N 0 3 267.289 0.035 20 5 CCBDHN Cc1n[nH]c(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000592241782 359804087 /nfs/dbraw/zinc/80/40/87/359804087.db2.gz HQQMDVSNBYZYAJ-SECBINFHSA-N 0 3 281.316 0.696 20 5 CCBDHN Cc1[nH]nc(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000592241782 359804092 /nfs/dbraw/zinc/80/40/92/359804092.db2.gz HQQMDVSNBYZYAJ-SECBINFHSA-N 0 3 281.316 0.696 20 5 CCBDHN COc1ccc(CN[C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593670445 360132684 /nfs/dbraw/zinc/13/26/84/360132684.db2.gz PVUINHUQBINGGM-AOOOYVTPSA-N 0 3 279.296 0.957 20 5 CCBDHN CCN1CCC[C@@H]1CN(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000176969382 189017306 /nfs/dbraw/zinc/01/73/06/189017306.db2.gz OCFYABKAPZJPRY-LLVKDONJSA-N 0 3 295.343 0.734 20 5 CCBDHN COCCC1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000594719049 360367495 /nfs/dbraw/zinc/36/74/95/360367495.db2.gz YUTNGDAIIUDGSZ-LBPRGKRZSA-N 0 3 284.316 0.121 20 5 CCBDHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595122093 360440619 /nfs/dbraw/zinc/44/06/19/360440619.db2.gz QWDIYASTVSEGFR-MRVPVSSYSA-N 0 3 273.314 0.481 20 5 CCBDHN O=[N+]([O-])c1ccccc1CNC[C@]1(OCCO)CCOC1 ZINC000594974921 360428226 /nfs/dbraw/zinc/42/82/26/360428226.db2.gz NVMNUMCZIVMBBB-CQSZACIVSA-N 0 3 296.323 0.852 20 5 CCBDHN O=[N+]([O-])c1ccn(C2CCN(CCc3cn[nH]n3)CC2)n1 ZINC000595462559 360540596 /nfs/dbraw/zinc/54/05/96/360540596.db2.gz WENANKBEWFTMTA-UHFFFAOYSA-N 0 3 291.315 0.789 20 5 CCBDHN C[C@]12COC[C@@H]1CN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595760615 360644738 /nfs/dbraw/zinc/64/47/38/360644738.db2.gz UUUSHYZFRXYMHG-JQWIXIFHSA-N 0 3 266.301 0.760 20 5 CCBDHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000595780740 360652642 /nfs/dbraw/zinc/65/26/42/360652642.db2.gz MHWRWRHZCIWHRA-NTZNESFSSA-N 0 3 298.343 0.652 20 5 CCBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@H]1F ZINC000595989936 360763859 /nfs/dbraw/zinc/76/38/59/360763859.db2.gz MUYRIASKIRZQJQ-HTQZYQBOSA-N 0 3 256.237 0.434 20 5 CCBDHN COc1ccc(CNC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000179026308 189162639 /nfs/dbraw/zinc/16/26/39/189162639.db2.gz NGFZWGMXMPNIRW-ZDUSSCGKSA-N 0 3 282.296 0.844 20 5 CCBDHN CN(C)C[C@H](CO)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596243354 360849704 /nfs/dbraw/zinc/84/97/04/360849704.db2.gz KEVIXNQLLRRFDZ-SSDOTTSWSA-N 0 3 297.340 0.934 20 5 CCBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C)C1 ZINC000597947414 361288356 /nfs/dbraw/zinc/28/83/56/361288356.db2.gz XYYLQCKWUGWQSC-JTQLQIEISA-N 0 3 281.316 0.344 20 5 CCBDHN CC(C)(C)N1CC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000597857624 361269668 /nfs/dbraw/zinc/26/96/68/361269668.db2.gz HEIQRVBAFHVVHS-VIFPVBQESA-N 0 3 296.331 0.175 20 5 CCBDHN CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCN(CC)C1 ZINC000598042272 361322505 /nfs/dbraw/zinc/32/25/05/361322505.db2.gz WXEFYBNZLVQIHW-SECBINFHSA-N 0 3 281.316 0.874 20 5 CCBDHN CCCN1CC[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000598342402 361392613 /nfs/dbraw/zinc/39/26/13/361392613.db2.gz MPFQKXAADVDUBT-SECBINFHSA-N 0 3 281.316 0.542 20 5 CCBDHN C[NH+](C)[C@@H]1[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]21 ZINC000599082879 361566914 /nfs/dbraw/zinc/56/69/14/361566914.db2.gz CWONTPKEJQIPRH-MBTKJCJQSA-N 0 3 264.285 0.692 20 5 CCBDHN C[C@H](CN)N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915113 361530600 /nfs/dbraw/zinc/53/06/00/361530600.db2.gz HWTOOLGUQGNBQZ-MRVPVSSYSA-N 0 3 280.284 0.339 20 5 CCBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)cn1 ZINC000599176399 361599866 /nfs/dbraw/zinc/59/98/66/361599866.db2.gz SQIKKCIQMYZXBH-SNVBAGLBSA-N 0 3 252.274 0.468 20 5 CCBDHN CN1CCN(CC2CN(c3cccnc3[N+](=O)[O-])C2)CC1 ZINC000599107157 361575269 /nfs/dbraw/zinc/57/52/69/361575269.db2.gz KKUZOOWABGQIPQ-UHFFFAOYSA-N 0 3 291.355 0.673 20 5 CCBDHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599110788 361577217 /nfs/dbraw/zinc/57/72/17/361577217.db2.gz QUKRGAJOIPGJKP-NKWVEPMBSA-N 0 3 291.354 0.685 20 5 CCBDHN O=[N+]([O-])c1cnn(CCN(CCO)C2CCOCC2)c1 ZINC000275619830 193087713 /nfs/dbraw/zinc/08/77/13/193087713.db2.gz UDBCBDZVSUZEJY-UHFFFAOYSA-N 0 3 284.316 0.265 20 5 CCBDHN N[C@@H]1C[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565234232 291364618 /nfs/dbraw/zinc/36/46/18/291364618.db2.gz SHLZIZMBKRWJTO-CHWSQXEVSA-N 0 3 290.323 0.339 20 5 CCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)CN1C ZINC000330592975 203012566 /nfs/dbraw/zinc/01/25/66/203012566.db2.gz PNGQWWKCSHRMJR-GHMZBOCLSA-N 0 3 267.333 0.816 20 5 CCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)C)n1 ZINC000330687212 203116776 /nfs/dbraw/zinc/11/67/76/203116776.db2.gz WAFJGBMWVLXJLU-QMMMGPOBSA-N 0 3 269.305 0.491 20 5 CCBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330930796 203398732 /nfs/dbraw/zinc/39/87/32/203398732.db2.gz QSVCZDAEIVCMHQ-VHSXEESVSA-N 0 3 296.331 0.031 20 5 CCBDHN CN(CCCCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000278883744 194195767 /nfs/dbraw/zinc/19/57/67/194195767.db2.gz NKMIBJNJSMECAR-UHFFFAOYSA-N 0 3 283.328 0.851 20 5 CCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC(N(C)C)C1 ZINC000288944933 197197954 /nfs/dbraw/zinc/19/79/54/197197954.db2.gz RWRUNYNRLFGQEK-UHFFFAOYSA-N 0 3 253.306 0.870 20 5 CCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1(CO)CC1 ZINC000285357689 388792332 /nfs/dbraw/zinc/79/23/32/388792332.db2.gz BGWGVKWOFNTAMD-UHFFFAOYSA-N 0 3 267.285 0.213 20 5 CCBDHN CCN1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290662788 388910182 /nfs/dbraw/zinc/91/01/82/388910182.db2.gz QBQAPFMYCPDFTO-UHFFFAOYSA-N 0 3 293.327 0.621 20 5 CCBDHN CN(CCN(C)C1CC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291032634 388916214 /nfs/dbraw/zinc/91/62/14/388916214.db2.gz YYGVLFBJDKXABW-UHFFFAOYSA-N 0 3 293.327 0.619 20 5 CCBDHN C[C@@H]1C[C@H](O)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340911251 389165647 /nfs/dbraw/zinc/16/56/47/389165647.db2.gz PDTOJBJZLVAKNB-WXHSDQCUSA-N 0 3 296.323 0.790 20 5 CCBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264198311 389311523 /nfs/dbraw/zinc/31/15/23/389311523.db2.gz QLTBLICDXXWPCJ-UHFFFAOYSA-N 0 3 284.316 0.573 20 5 CCBDHN CO[C@@]1(C)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000330994339 389276166 /nfs/dbraw/zinc/27/61/66/389276166.db2.gz NVUPVRBPUCEMOB-OLZOCXBDSA-N 0 3 298.343 0.653 20 5 CCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000153024449 389294501 /nfs/dbraw/zinc/29/45/01/389294501.db2.gz MTXTWTNXPIXDEP-ZDUSSCGKSA-N 0 3 281.312 0.637 20 5 CCBDHN Cc1nn(CCC(=O)NC[C@H](C)N(C)C)c(C)c1[N+](=O)[O-] ZINC000263954804 389303341 /nfs/dbraw/zinc/30/33/41/389303341.db2.gz BXHBRXUQJXEZIV-VIFPVBQESA-N 0 3 297.359 0.865 20 5 CCBDHN C[C@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCN1C ZINC000347884998 389360335 /nfs/dbraw/zinc/36/03/35/389360335.db2.gz YOCXIARGIGSPQN-UWVGGRQHSA-N 0 3 290.327 0.954 20 5 CCBDHN CCN1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273147464 389474844 /nfs/dbraw/zinc/47/48/44/389474844.db2.gz GUQUKXWFALKMJC-UHFFFAOYSA-N 0 3 251.290 0.917 20 5 CCBDHN CN(C)[C@@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000166372023 389441499 /nfs/dbraw/zinc/44/14/99/389441499.db2.gz YFHBRLJWPZGCGV-SECBINFHSA-N 0 3 281.316 0.495 20 5 CCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1=CCN(C)CC1 ZINC000271946881 389450198 /nfs/dbraw/zinc/45/01/98/389450198.db2.gz XNTQXXRHTVYPHO-UHFFFAOYSA-N 0 3 293.327 0.478 20 5 CCBDHN CN1CCNC[C@@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000414956951 389647871 /nfs/dbraw/zinc/64/78/71/389647871.db2.gz BAJHTULJSYOWPA-CYBMUJFWSA-N 0 3 264.329 0.588 20 5 CCBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CNCCO2)cc1 ZINC000415099421 389659908 /nfs/dbraw/zinc/65/99/08/389659908.db2.gz YJKCWNZWWUIINU-LBPRGKRZSA-N 0 3 251.286 0.673 20 5 CCBDHN CC(C)(NC(=O)COC1CNC1)c1ccc([N+](=O)[O-])cc1 ZINC000430432957 389801337 /nfs/dbraw/zinc/80/13/37/389801337.db2.gz LEJGCLWNYCOAJC-UHFFFAOYSA-N 0 3 293.323 0.935 20 5 CCBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCCCO1 ZINC000441233482 389827926 /nfs/dbraw/zinc/82/79/26/389827926.db2.gz UJLUNZPBQVEDEW-CHWSQXEVSA-N 0 3 298.343 0.653 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000446424298 389935936 /nfs/dbraw/zinc/93/59/36/389935936.db2.gz JPNMWYSBUGVVCV-CQSZACIVSA-N 0 3 293.323 0.700 20 5 CCBDHN C[C@@H]1CCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000524775954 390654256 /nfs/dbraw/zinc/65/42/56/390654256.db2.gz FRVNAABZCCHMPS-SNVBAGLBSA-N 0 3 281.316 0.249 20 5 CCBDHN Cn1c(C(=O)NCCNc2ccncc2)ccc1[N+](=O)[O-] ZINC000341873527 130100316 /nfs/dbraw/zinc/10/03/16/130100316.db2.gz IKHHOQAVFSFJES-UHFFFAOYSA-N 0 3 289.295 0.592 20 5 CCBDHN C[C@H](O)CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246250446 131092315 /nfs/dbraw/zinc/09/23/15/131092315.db2.gz JDGBHDLIUZIQSD-JOYOIKCWSA-N 0 3 254.286 0.941 20 5 CCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000247487557 131104130 /nfs/dbraw/zinc/10/41/30/131104130.db2.gz UASFMSMQLNYUDX-GHMZBOCLSA-N 0 3 295.343 0.590 20 5 CCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357057284 144055028 /nfs/dbraw/zinc/05/50/28/144055028.db2.gz PMFAKFDMYHOXLO-UWVGGRQHSA-N 0 3 295.343 0.741 20 5 CCBDHN C[C@H](CN1CCCCC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357866192 144128143 /nfs/dbraw/zinc/12/81/43/144128143.db2.gz LCURAJLZOKXMNF-SNVBAGLBSA-N 0 3 296.331 0.177 20 5 CCBDHN Cc1sc(C(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358065392 144148038 /nfs/dbraw/zinc/14/80/38/144148038.db2.gz LIRVGYRNJCTVDA-GFCCVEGCSA-N 0 3 299.352 0.761 20 5 CCBDHN COC[C@@H](CO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285120640 196201699 /nfs/dbraw/zinc/20/16/99/196201699.db2.gz LAMYVYVQXSVDLO-WCBMZHEXSA-N 0 3 269.301 0.835 20 5 CCBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000519181565 265360406 /nfs/dbraw/zinc/36/04/06/265360406.db2.gz GWESMMXHQOMDMS-GHMZBOCLSA-N 0 3 291.311 0.046 20 5 CCBDHN CN(C)[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000295649021 273819612 /nfs/dbraw/zinc/81/96/12/273819612.db2.gz GAYOTXXSGVNEBV-RYUDHWBXSA-N 0 3 291.311 0.582 20 5 CCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCNCC2)c1 ZINC000134354723 274004248 /nfs/dbraw/zinc/00/42/48/274004248.db2.gz JKIMHMAVYAXUBI-UHFFFAOYSA-N 0 3 265.269 0.791 20 5 CCBDHN CO[C@H]1C[C@@H](CN(C)Cc2c([N+](=O)[O-])ncn2C)N(C)C1 ZINC000330533768 274083313 /nfs/dbraw/zinc/08/33/13/274083313.db2.gz CUPVWUUUEZTVSY-QWRGUYRKSA-N 0 3 297.359 0.479 20 5 CCBDHN CC(C)N(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178599096 275620110 /nfs/dbraw/zinc/62/01/10/275620110.db2.gz ORCRFEBGASOHRL-UHFFFAOYSA-N 0 3 283.332 0.590 20 5 CCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[NH3+] ZINC000035061799 278932559 /nfs/dbraw/zinc/93/25/59/278932559.db2.gz SZRIJJZASFJYHI-UHFFFAOYSA-N 0 3 273.314 0.530 20 5 CCBDHN C[C@]1(F)CNCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000583014986 329302665 /nfs/dbraw/zinc/30/26/65/329302665.db2.gz ABMOCYFCSXENCX-LBPRGKRZSA-N 0 3 294.290 0.775 20 5 CCBDHN N[C@@H]1C[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000575795985 335115596 /nfs/dbraw/zinc/11/55/96/335115596.db2.gz VJFVRXVVHXIDHE-WDEREUQCSA-N 0 3 265.269 0.437 20 5 CCBDHN CCOC[C@H](O)CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000383811822 336118268 /nfs/dbraw/zinc/11/82/68/336118268.db2.gz FITHTPGSNPWEOL-GFCCVEGCSA-N 0 3 284.312 0.961 20 5 CCBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCN1 ZINC000423727695 534766621 /nfs/dbraw/zinc/76/66/21/534766621.db2.gz RMLSJYGSONRUDX-SECBINFHSA-N 0 3 261.241 0.193 20 5 CCBDHN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C2CC2)C1 ZINC000347009809 536012088 /nfs/dbraw/zinc/01/20/88/536012088.db2.gz KEWSJBACQPCDHV-NSHDSACASA-N 0 3 293.327 0.486 20 5 CCBDHN C[NH2+][C@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000261571211 536402873 /nfs/dbraw/zinc/40/28/73/536402873.db2.gz QPLRWMLDRLWUHX-SECBINFHSA-N 0 3 287.341 0.789 20 5 CCBDHN C[C@H](CO)N(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000792931347 581276455 /nfs/dbraw/zinc/27/64/55/581276455.db2.gz RIPZBLAWLKIEAU-SKDRFNHKSA-N 0 3 254.286 0.941 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CCOC(=O)C1CCN(C)C1=O ZINC000774000713 581906963 /nfs/dbraw/zinc/90/69/63/581906963.db2.gz NRQUWQBCLVNNEP-VIFPVBQESA-N 0 3 296.283 0.121 20 5 CCBDHN CN1CCC(ONC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000773541943 581932420 /nfs/dbraw/zinc/93/24/20/581932420.db2.gz NKMJADLUNIHRRR-UHFFFAOYSA-N 0 3 297.315 0.323 20 5 CCBDHN NC(=O)c1ccc(CN[C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000763087244 581985135 /nfs/dbraw/zinc/98/51/35/581985135.db2.gz UUXJVLKBFLDJKB-LLVKDONJSA-N 0 3 279.296 0.554 20 5 CCBDHN Cc1cccc(NCCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000764303346 582041808 /nfs/dbraw/zinc/04/18/08/582041808.db2.gz UIWHIKJQQLXYAJ-UHFFFAOYSA-N 0 3 290.283 0.863 20 5 CCBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](O)C2)cc1 ZINC000776583308 582081260 /nfs/dbraw/zinc/08/12/60/582081260.db2.gz ZQIOFKUKHVTHJT-NWDGAFQWSA-N 0 3 252.270 0.695 20 5 CCBDHN COC(=O)CSCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113760 616623767 /nfs/dbraw/zinc/62/37/67/616623767.db2.gz UXMCQYKYBGXRTR-SSDOTTSWSA-N 0 3 265.287 0.491 20 5 CCBDHN CC(C)(CCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)[N+](=O)[O-] ZINC000861718462 614081166 /nfs/dbraw/zinc/08/11/66/614081166.db2.gz XEDHHTKSOLAGEW-NWDGAFQWSA-N 0 3 299.371 0.489 20 5 CCBDHN CC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])C1CCCC1 ZINC000813104727 614095199 /nfs/dbraw/zinc/09/51/99/614095199.db2.gz QUWJTOXHKHFTOI-KCJUWKMLSA-N 0 3 272.301 0.890 20 5 CCBDHN CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000886600219 614201151 /nfs/dbraw/zinc/20/11/51/614201151.db2.gz PIUCECAIVMHXJP-IJLUTSLNSA-N 0 3 269.345 0.840 20 5 CCBDHN CCC(=O)N1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108182 614535569 /nfs/dbraw/zinc/53/55/69/614535569.db2.gz BYBMKFOJRYKUSL-NXEZZACHSA-N 0 3 272.301 0.986 20 5 CCBDHN CN(CCO)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000899731883 616107349 /nfs/dbraw/zinc/10/73/49/616107349.db2.gz ORPOWRYGHRWQJM-UHFFFAOYSA-N 0 3 273.314 0.310 20 5 CCBDHN CC(COC(=O)c1ccc2n[nH]c(=O)n2c1)[N+](=O)[O-] ZINC000813112726 624661785 /nfs/dbraw/zinc/66/17/85/624661785.db2.gz KBPUBJGPDHQHOG-ZCFIWIBFSA-N 0 3 266.213 0.257 20 5 CCBDHN O=[N+]([O-])c1cnn(CN2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000902645805 634429024 /nfs/dbraw/zinc/42/90/24/634429024.db2.gz YTTQZNHMTSUNBV-QWHCGFSZSA-N 0 3 295.343 0.280 20 5 CCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCN1C1CCOCC1 ZINC000896516103 632263431 /nfs/dbraw/zinc/26/34/31/632263431.db2.gz MPYKHFJNMDHYHC-NSHDSACASA-N 0 3 295.343 0.994 20 5 CCBDHN Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897216406 632418972 /nfs/dbraw/zinc/41/89/72/632418972.db2.gz QLHHDEBHNJKCMN-GHMZBOCLSA-N 0 3 295.343 0.364 20 5 CCBDHN C[C@@H]1CN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839489127 640316434 /nfs/dbraw/zinc/31/64/34/640316434.db2.gz VODUSWFPXBBUQG-WRWGMCAJSA-N 0 3 285.344 0.267 20 5 CCBDHN CC(COC(=O)c1ccc(C(N)=O)s1)[N+](=O)[O-] ZINC000813102926 641022005 /nfs/dbraw/zinc/02/20/05/641022005.db2.gz LSPRROWXEMFGAQ-YFKPBYRVSA-N 0 3 258.255 0.669 20 5 CCBDHN CC(COC(=O)CNC(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813104777 641022503 /nfs/dbraw/zinc/02/25/03/641022503.db2.gz RIWLTHLJIFXPJD-QMMMGPOBSA-N 0 3 260.290 0.747 20 5 CCBDHN CC(COC(=O)CCc1ccccc1C(N)=O)[N+](=O)[O-] ZINC000813105513 641022672 /nfs/dbraw/zinc/02/26/72/641022672.db2.gz NQECSJPTEPYRCU-VIFPVBQESA-N 0 3 280.280 0.927 20 5 CCBDHN CC(COC(=O)[C@H]1CCCCN1S(C)(=O)=O)[N+](=O)[O-] ZINC000813106779 641022992 /nfs/dbraw/zinc/02/29/92/641022992.db2.gz GZJMHZJYBMTIHL-DTWKUNHWSA-N 0 3 294.329 0.009 20 5 CCBDHN CC(COC(=O)CN(C)[C@H]1CCSC1)[N+](=O)[O-] ZINC000813109734 641023316 /nfs/dbraw/zinc/02/33/16/641023316.db2.gz VVVQLNGCPIBAJU-BDAKNGLRSA-N 0 3 262.331 0.632 20 5 CCBDHN CC(COC(=O)c1cnn2cccnc12)[N+](=O)[O-] ZINC000813108454 641023503 /nfs/dbraw/zinc/02/35/03/641023503.db2.gz GCGBSGZGIWIJJG-ZETCQYMHSA-N 0 3 250.214 0.551 20 5 CCBDHN CC(COC(=O)CN1Cc2ccccc2C1=O)[N+](=O)[O-] ZINC000813111857 641024467 /nfs/dbraw/zinc/02/44/67/641024467.db2.gz AVSWNDVFAUXPKA-VIFPVBQESA-N 0 3 278.264 0.851 20 5 CCBDHN Cc1nn(C)c(-n2cccn2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111233 641024484 /nfs/dbraw/zinc/02/44/84/641024484.db2.gz DJBZIRQBCFKUSE-QMMMGPOBSA-N 0 3 293.283 0.736 20 5 CCBDHN Nc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000852869472 644032979 /nfs/dbraw/zinc/03/29/79/644032979.db2.gz FWOSSIJOFBQECR-PSASIEDQSA-N 0 3 282.275 0.688 20 5 CCBDHN Nc1ccc([N+](=O)[O-])c(NCCN2CC[C@@H](O)C2)c1 ZINC000858812519 644651202 /nfs/dbraw/zinc/65/12/02/644651202.db2.gz QBKYJRQHLOFMCG-SNVBAGLBSA-N 0 3 266.301 0.656 20 5 CCBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CNCCO1 ZINC000876917224 646696742 /nfs/dbraw/zinc/69/67/42/646696742.db2.gz OYPSYEOXOFWTLA-NSHDSACASA-N 0 3 293.323 0.930 20 5 CCBDHN CC1(C)C[C@@H](O)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000879621778 647087206 /nfs/dbraw/zinc/08/72/06/647087206.db2.gz ZHOXXVPIIHNDOP-LLVKDONJSA-N 0 3 268.317 0.884 20 5 CCBDHN Cc1ccc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000886257664 647943541 /nfs/dbraw/zinc/94/35/41/647943541.db2.gz HWHJIGQSWLDJMI-LMKPVCQUSA-N 0 3 266.297 0.877 20 5 CCBDHN C[C@H](O)[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000930355478 648342736 /nfs/dbraw/zinc/34/27/36/648342736.db2.gz YPCIRYHCURJOSW-GXFFZTMASA-N 0 3 268.313 0.811 20 5 CCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCCC1 ZINC000929462561 648741200 /nfs/dbraw/zinc/74/12/00/648741200.db2.gz UPLKWTPJOTZERW-UHFFFAOYSA-N 0 3 281.316 0.312 20 5 CCBDHN C[C@H]([NH3+])CO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001122020778 799124573 /nfs/dbraw/zinc/12/45/73/799124573.db2.gz BDINXDKYMQYNCZ-QMMMGPOBSA-N 0 3 253.258 0.532 20 5 CCBDHN COC(=O)c1ccnc(-n2nc(CN)cc2C)c1[N+](=O)[O-] ZINC001156039082 801099758 /nfs/dbraw/zinc/09/97/58/801099758.db2.gz LZEOHKVIMXVZOJ-UHFFFAOYSA-N 0 3 291.267 0.729 20 5 CCBDHN COc1nc(N2C[C@H]3[C@H](C2)CCCN3C)ncc1[N+](=O)[O-] ZINC001157259780 801336275 /nfs/dbraw/zinc/33/62/75/801336275.db2.gz FYLZNNRQKHLYDQ-ONGXEEELSA-N 0 3 293.327 0.924 20 5 CCBDHN CCc1cnc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001157760334 801473194 /nfs/dbraw/zinc/47/31/94/801473194.db2.gz CKCLXWDQJZDICX-GHMZBOCLSA-N 0 3 296.327 0.498 20 5 CCBDHN COc1cc(N[C@H](C)[C@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001159495359 801820832 /nfs/dbraw/zinc/82/08/32/801820832.db2.gz DYRJEODYHSUXQN-LDYMZIIASA-N 0 3 282.300 0.787 20 5 CCBDHN CN1CCO[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001162687435 802394602 /nfs/dbraw/zinc/39/46/02/802394602.db2.gz BTKNOVLAKNHUTI-LBPRGKRZSA-N 0 3 292.339 0.941 20 5 CCBDHN COc1ncc([N+](=O)[O-])c(-n2nc(CN)cc2C)n1 ZINC001163979755 802643241 /nfs/dbraw/zinc/64/32/41/802643241.db2.gz IAWNSGZCHDSKQR-UHFFFAOYSA-N 0 3 264.245 0.346 20 5 CCBDHN CN(c1cnc(Cl)cc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164292576 802709261 /nfs/dbraw/zinc/70/92/61/802709261.db2.gz RLRDHCOKJRXOAZ-UHFFFAOYSA-N 0 3 294.720 0.368 20 5 CCBDHN O=[N+]([O-])c1cc[n+]([O-])c(-n2cnc3c2CNCC3)c1 ZINC001164310101 802718096 /nfs/dbraw/zinc/71/80/96/802718096.db2.gz HKUSIAUKCGHHGE-UHFFFAOYSA-N 0 3 261.241 0.060 20 5 CCBDHN CN(C)C1(C)CN(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001165120898 802785232 /nfs/dbraw/zinc/78/52/32/802785232.db2.gz QIMRMSWJNDYANW-UHFFFAOYSA-N 0 3 251.290 0.712 20 5 CCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC(C)(N(C)C)C1 ZINC001165121349 802785517 /nfs/dbraw/zinc/78/55/17/802785517.db2.gz UOABZONEHHHAAU-UHFFFAOYSA-N 0 3 266.301 0.677 20 5 CCBDHN CN(C)C1(C)CN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001165118365 802785806 /nfs/dbraw/zinc/78/58/06/802785806.db2.gz SMCMJRXUZXFZFK-UHFFFAOYSA-N 0 3 251.290 0.712 20 5 CCBDHN COc1nc(N(C)CCN2CCCC2)ncc1[N+](=O)[O-] ZINC001165140660 802786629 /nfs/dbraw/zinc/78/66/29/802786629.db2.gz XMEAKVDPLQQYJR-UHFFFAOYSA-N 0 3 281.316 0.925 20 5 CCBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H](O)C[C@@H]1CO ZINC001254542478 808257920 /nfs/dbraw/zinc/25/79/20/808257920.db2.gz OBEUCFWWYHRSBG-CYZMBNFOSA-N 0 3 280.324 0.953 20 5 CCBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000702063225 809874855 /nfs/dbraw/zinc/87/48/55/809874855.db2.gz VQVAQLSBAXWMJC-LPEHRKFASA-N 0 3 281.316 0.389 20 5 CCBDHN CC(COC(=O)c1ccc(C(N)=O)nc1)[N+](=O)[O-] ZINC001122969070 816817885 /nfs/dbraw/zinc/81/78/85/816817885.db2.gz YCMOPFCTMXBIGH-LURJTMIESA-N 0 3 253.214 0.003 20 5 CCBDHN CN(CCO)CCN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000691278413 817765842 /nfs/dbraw/zinc/76/58/42/817765842.db2.gz DAZQIVNQUXKTQF-UHFFFAOYSA-N 0 3 287.341 0.652 20 5 CCBDHN COc1cc([N+](=O)[O-])cnc1-n1nc(CN)cc1C ZINC001163978378 820481326 /nfs/dbraw/zinc/48/13/26/820481326.db2.gz ZMAVGXVZQDUHRW-UHFFFAOYSA-N 0 3 263.257 0.951 20 5 CCBDHN O=[N+]([O-])c1ccc(N2CC(N[C@H]3CCOC3)C2)cn1 ZINC001164233938 820677025 /nfs/dbraw/zinc/67/70/25/820677025.db2.gz DOAVMXSZEOKORY-VIFPVBQESA-N 0 3 264.285 0.557 20 5 CCBDHN COc1nc(-n2cnc(CN)c2)ncc1[N+](=O)[O-] ZINC001154905747 821716743 /nfs/dbraw/zinc/71/67/43/821716743.db2.gz OUDCZFYQUPZFQG-UHFFFAOYSA-N 0 3 250.218 0.038 20 5 CCBDHN CC(=O)N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)C1 ZINC001169035916 836109921 /nfs/dbraw/zinc/10/99/21/836109921.db2.gz DWESSRMMHYBGPY-DRZSPHRISA-N 0 3 269.345 0.984 20 5 CCBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1CNCCO1 ZINC001170558175 838069223 /nfs/dbraw/zinc/06/92/23/838069223.db2.gz MMHLLCBJMIVXBZ-VXNVDRBHSA-N 0 3 253.262 0.174 20 5 CCBDHN C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170566308 838118743 /nfs/dbraw/zinc/11/87/43/838118743.db2.gz FPMSZLNSAYFAHE-WCBMZHEXSA-N 0 3 252.274 0.779 20 5 CCBDHN COc1cnc(N[C@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170574860 838161102 /nfs/dbraw/zinc/16/11/02/838161102.db2.gz XPUJFZYIMKGLAY-SCZZXKLOSA-N 0 3 282.300 0.787 20 5 CCBDHN CC(COC(=O)Cn1cc(Br)cn1)[N+](=O)[O-] ZINC000813102751 838677103 /nfs/dbraw/zinc/67/71/03/838677103.db2.gz USBZPVNVEFLGBW-ZCFIWIBFSA-N 0 3 292.089 0.854 20 5 CCBDHN C[C@]1(CO)C[C@@H](O)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001196285754 846723502 /nfs/dbraw/zinc/72/35/02/846723502.db2.gz RNKKOAIYDWERFA-HZSPNIEDSA-N 0 3 296.323 0.446 20 5 CCBDHN CCC1([N-]c2nc(OC)ncc2[N+](=O)[O-])C[NH2+]C1 ZINC001168581177 897669971 /nfs/dbraw/zinc/66/99/71/897669971.db2.gz URZNZGCHFQJLDS-UHFFFAOYSA-N 0 3 253.262 0.557 20 5 CCBDHN CN1CCCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001307225762 908299267 /nfs/dbraw/zinc/29/92/67/908299267.db2.gz LMAXOEBFJXFEEQ-VIFPVBQESA-N 0 3 293.327 0.985 20 5 CCBDHN CN(CC[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC001333017805 918604320 /nfs/dbraw/zinc/60/43/20/918604320.db2.gz PUUUKRBPEMQWOH-UHFFFAOYSA-N 0 3 265.317 0.654 20 5 CCBDHN CO[C@@H]1COC[C@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335318723 920119063 /nfs/dbraw/zinc/11/90/63/920119063.db2.gz WHHXARAZBCHLIB-JHJVBQTASA-N 0 3 282.296 0.632 20 5 CCBDHN COc1ccc(NC(=O)[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC001341705001 922638616 /nfs/dbraw/zinc/63/86/16/922638616.db2.gz ZUJRNESCRHKAKN-NSHDSACASA-N 0 3 294.311 0.446 20 5 CCBDHN