smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1(CN)CCOCC1 ZINC000903808398 616127643 /nfs/dbraw/zinc/12/76/43/616127643.db2.gz IVNAHXQNDVSFEW-UHFFFAOYSA-N 1 3 283.332 0.231 20 5 CCBDHO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1(CN)CCOCC1 ZINC000903808398 616127644 /nfs/dbraw/zinc/12/76/44/616127644.db2.gz IVNAHXQNDVSFEW-UHFFFAOYSA-N 1 3 283.332 0.231 20 5 CCBDHO CCN(CC)CCNC(=[NH2+])Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001163126599 802486916 /nfs/dbraw/zinc/48/69/16/802486916.db2.gz SWNXWEGHHQODHA-UHFFFAOYSA-N 1 3 295.347 0.850 20 5 CCBDHO C[C@H](CC[NH+](C)C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049557022 348456436 /nfs/dbraw/zinc/45/64/36/348456436.db2.gz ZZFKQYHNYZWMRV-PWSUYJOCSA-N 1 3 285.348 0.082 20 5 CCBDHO [NH3+]CCCOC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000430566121 389808386 /nfs/dbraw/zinc/80/83/86/389808386.db2.gz BPJCHVATWNQMAQ-UHFFFAOYSA-N 1 3 297.359 0.621 20 5 CCBDHO [NH3+]CCCOC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430572653 389808459 /nfs/dbraw/zinc/80/84/59/389808459.db2.gz QAEZERZKGOFQMN-UHFFFAOYSA-N 1 3 297.359 0.621 20 5 CCBDHO C[C@@](C[NH3+])(NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000430555409 278115101 /nfs/dbraw/zinc/11/51/01/278115101.db2.gz XCOAXAQUMRWUKA-NSHDSACASA-N 1 3 253.306 0.508 20 5 CCBDHO CCN(CC)CCNC(=[NH2+])Nc1ccc([N+](=O)[O-])c(N)n1 ZINC001163126972 802489211 /nfs/dbraw/zinc/48/92/11/802489211.db2.gz WGMONARTTKVTEZ-UHFFFAOYSA-N 1 3 295.347 0.850 20 5 CCBDHO C[C@@H](C[N+](C)(C)C)Oc1ccc(C[C@H](N)C(N)=O)cc1 ZINC001218356589 803950178 /nfs/dbraw/zinc/95/01/78/803950178.db2.gz RBMNGANYJUREOY-FZMZJTMJSA-O 1 3 280.392 0.515 20 5 CCBDHO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246081950 807146812 /nfs/dbraw/zinc/14/68/12/807146812.db2.gz KGLFCBBBAOOXQW-WISYIIOYSA-N 1 3 275.324 0.084 20 5 CCBDHO Cn1cc(NC(=N)SCC[NH3+])cc([N+](=O)[O-])c1=O ZINC001167914530 812592952 /nfs/dbraw/zinc/59/29/52/812592952.db2.gz MMYJSGLRNNYBTF-UHFFFAOYSA-N 1 3 271.302 0.332 20 5 CCBDHO [NH3+]CCCN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168984690 836080238 /nfs/dbraw/zinc/08/02/38/836080238.db2.gz QAHIGEJFZRVGDG-CHWSQXEVSA-N 1 3 270.377 0.398 20 5 CCBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246081943 807145700 /nfs/dbraw/zinc/14/57/00/807145700.db2.gz KGLFCBBBAOOXQW-NOOOWODRSA-N 1 3 275.324 0.084 20 5 CCBDHO [NH3+]CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000569935015 358806829 /nfs/dbraw/zinc/80/68/29/358806829.db2.gz VSIBSAKKSDPGIF-UHFFFAOYSA-N 1 3 267.333 0.852 20 5 CCBDHO CN(C)CCC[N@H+](C)CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596424805 360889655 /nfs/dbraw/zinc/88/96/55/360889655.db2.gz LVRSHPGLNPSCFE-UHFFFAOYSA-N 1 3 296.375 0.289 20 5 CCBDHO CN(C)CCC[N@@H+](C)CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596424805 360889660 /nfs/dbraw/zinc/88/96/60/360889660.db2.gz LVRSHPGLNPSCFE-UHFFFAOYSA-N 1 3 296.375 0.289 20 5 CCBDHO [NH3+]CC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000443064131 389872713 /nfs/dbraw/zinc/87/27/13/389872713.db2.gz BWRBLDFUQHTALE-LLVKDONJSA-N 1 3 267.333 0.852 20 5 CCBDHO Cn1cc(CN2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])n1 ZINC000603431353 363129488 /nfs/dbraw/zinc/12/94/88/363129488.db2.gz WOEJHLTYWLVFOU-UHFFFAOYSA-N 1 3 279.344 0.904 20 5 CCBDHO [NH3+][C@@H]1CCC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000342108204 130265840 /nfs/dbraw/zinc/26/58/40/130265840.db2.gz QTOQPAGZANGTHG-KGYLQXTDSA-N 1 3 279.344 0.851 20 5 CCBDHO C[C@](C[NH3+])(NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000430555408 280140310 /nfs/dbraw/zinc/14/03/10/280140310.db2.gz XCOAXAQUMRWUKA-LLVKDONJSA-N 1 3 253.306 0.508 20 5 CCBDHO C[C@H](C[N+](C)(C)C)OCCCN1CCN(C)CC1 ZINC001206595844 803273832 /nfs/dbraw/zinc/27/38/32/803273832.db2.gz JHOUYRUWAUEZJO-CQSZACIVSA-N 1 3 258.430 0.735 20 5 CCBDHO Cc1ccc(CNCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414870013 389641356 /nfs/dbraw/zinc/64/13/56/389641356.db2.gz RXWBFZCRMAXWJC-UHFFFAOYSA-N 1 3 278.356 0.898 20 5 CCBDHO CN1CC[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001156581150 836615915 /nfs/dbraw/zinc/61/59/15/836615915.db2.gz CGEQJEALQLZKCG-VIFPVBQESA-N 1 3 278.316 0.188 20 5 CCBDHO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)[C@H]1C[NH2+]CCO1 ZINC001170568215 838131523 /nfs/dbraw/zinc/13/15/23/838131523.db2.gz FNMJUIOYPYORSU-LKFCYVNXSA-N 1 3 292.339 0.987 20 5 CCBDHO C[C@H]1CN(CCCC[NH2+]CC[N+](=O)[O-])C[C@H](C)O1 ZINC001353279123 925780565 /nfs/dbraw/zinc/78/05/65/925780565.db2.gz ZCMXNLBNEHRSCY-RYUDHWBXSA-N 1 3 259.350 0.742 20 5 CCBDHO CC(C)[C@@](C)(C[NH3+])NCCn1ccc([N+](=O)[O-])n1 ZINC000430585272 389809873 /nfs/dbraw/zinc/80/98/73/389809873.db2.gz QFRNKHIQSWZSLM-LLVKDONJSA-N 1 3 255.322 0.754 20 5 CCBDHO C[C@](C[NH3+])(NCCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000430590813 389810585 /nfs/dbraw/zinc/81/05/85/389810585.db2.gz ITTCULUYAJJSRU-LLVKDONJSA-N 1 3 253.306 0.508 20 5 CCBDHO CCN1CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000037894014 800001937 /nfs/dbraw/zinc/00/19/37/800001937.db2.gz BLLIIONZFYDMKR-AAEUAGOBSA-N 1 3 297.359 0.084 20 5 CCBDHO CC[N@@H+]1CC[C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000037894014 800001943 /nfs/dbraw/zinc/00/19/43/800001943.db2.gz BLLIIONZFYDMKR-AAEUAGOBSA-N 1 3 297.359 0.084 20 5 CCBDHO CC[N@H+]1CC[C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000037894014 800001948 /nfs/dbraw/zinc/00/19/48/800001948.db2.gz BLLIIONZFYDMKR-AAEUAGOBSA-N 1 3 297.359 0.084 20 5 CCBDHO CN(C)C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173745530 351053050 /nfs/dbraw/zinc/05/30/50/351053050.db2.gz WGTNBIHIKOYDBN-YPMHNXCESA-N 1 3 297.359 0.036 20 5 CCBDHO CN(C)C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173745530 351053051 /nfs/dbraw/zinc/05/30/51/351053051.db2.gz WGTNBIHIKOYDBN-YPMHNXCESA-N 1 3 297.359 0.036 20 5 CCBDHO O=[N+]([O-])c1cccc(CNCCN2CC[NH2+]CC2)c1 ZINC000083478371 389002643 /nfs/dbraw/zinc/00/26/43/389002643.db2.gz GWSLDDATVNCCPZ-UHFFFAOYSA-N 1 3 264.329 0.590 20 5 CCBDHO N=C(NCCCC[NH3+])Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001157096011 801298731 /nfs/dbraw/zinc/29/87/31/801298731.db2.gz FOOAMZXZPCVXDS-UHFFFAOYSA-N 1 3 267.293 0.247 20 5 CCBDHO CC1(C)[C@H](NCCn2ccc([N+](=O)[O-])n2)C[C@@H]1[NH3+] ZINC000603430733 363129608 /nfs/dbraw/zinc/12/96/08/363129608.db2.gz CGMRFJLSKNDOTQ-DTWKUNHWSA-N 1 3 253.306 0.507 20 5 CCBDHO CC1(C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C[C@@H]1N ZINC000603430733 363129614 /nfs/dbraw/zinc/12/96/14/363129614.db2.gz CGMRFJLSKNDOTQ-DTWKUNHWSA-N 1 3 253.306 0.507 20 5 CCBDHO CC(C)[C@](C)(C[NH3+])NCCn1ccc([N+](=O)[O-])n1 ZINC000430585273 389809780 /nfs/dbraw/zinc/80/97/80/389809780.db2.gz QFRNKHIQSWZSLM-NSHDSACASA-N 1 3 255.322 0.754 20 5 CCBDHO C[C@@H]([NH3+])C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000430928685 389835666 /nfs/dbraw/zinc/83/56/66/389835666.db2.gz VAAUUUJDTMAWSJ-SNVBAGLBSA-N 1 3 267.333 0.851 20 5 CCBDHO CC1(C)[C@H](NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1[NH3+] ZINC000603434108 363131602 /nfs/dbraw/zinc/13/16/02/363131602.db2.gz QDGSAMZESNIPEF-VHSXEESVSA-N 1 3 253.306 0.507 20 5 CCBDHO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H]1N ZINC000603434108 363131607 /nfs/dbraw/zinc/13/16/07/363131607.db2.gz QDGSAMZESNIPEF-VHSXEESVSA-N 1 3 253.306 0.507 20 5 CCBDHO [NH3+][C@@H]1CCC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000342136847 355727497 /nfs/dbraw/zinc/72/74/97/355727497.db2.gz MKPADGAERQVWSR-IJLUTSLNSA-N 1 3 279.344 0.851 20 5 CCBDHO [NH3+][C@H]1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000904307484 634723553 /nfs/dbraw/zinc/72/35/53/634723553.db2.gz BUEWFOJOUHHCCH-TXEJJXNPSA-N 1 3 291.355 0.849 20 5 CCBDHO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246081940 807145781 /nfs/dbraw/zinc/14/57/81/807145781.db2.gz KGLFCBBBAOOXQW-FIQHERPVSA-N 1 3 275.324 0.084 20 5 CCBDHO [NH3+]CCCN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168984691 836079739 /nfs/dbraw/zinc/07/97/39/836079739.db2.gz QAHIGEJFZRVGDG-OLZOCXBDSA-N 1 3 270.377 0.398 20 5 CCBDHO C[NH+](C)CCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133294815 838592007 /nfs/dbraw/zinc/59/20/07/838592007.db2.gz VOVXVHCEKWIFKP-UHFFFAOYSA-N 1 3 294.355 0.752 20 5 CCBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[NH2+]C[C@H]1CO)CNC2 ZINC001170776780 839099577 /nfs/dbraw/zinc/09/95/77/839099577.db2.gz BOEVEXUREDEWTI-CMPLNLGQSA-N 1 3 278.312 0.190 20 5 CCBDHO CN(CCN(C)C1CC[NH+](C)CC1)CC[N+](=O)[O-] ZINC000930113283 648824206 /nfs/dbraw/zinc/82/42/06/648824206.db2.gz KDOOLUCDMYHDLX-UHFFFAOYSA-N 1 3 258.366 0.221 20 5 CCBDHO CCN1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000225264304 799711537 /nfs/dbraw/zinc/71/15/37/799711537.db2.gz BLLIIONZFYDMKR-WCQYABFASA-N 1 3 297.359 0.084 20 5 CCBDHO CC[N@@H+]1CC[C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000225264304 799711542 /nfs/dbraw/zinc/71/15/42/799711542.db2.gz BLLIIONZFYDMKR-WCQYABFASA-N 1 3 297.359 0.084 20 5 CCBDHO CC[N@H+]1CC[C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000225264304 799711547 /nfs/dbraw/zinc/71/15/47/799711547.db2.gz BLLIIONZFYDMKR-WCQYABFASA-N 1 3 297.359 0.084 20 5 CCBDHO CN(C)C1(C)CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001165121156 802785279 /nfs/dbraw/zinc/78/52/79/802785279.db2.gz GBDHMAZKQRKZPM-UHFFFAOYSA-N 1 3 292.343 0.212 20 5 CCBDHO C[C@@H](CC[NH+](C)C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049557023 348456253 /nfs/dbraw/zinc/45/62/53/348456253.db2.gz ZZFKQYHNYZWMRV-CMPLNLGQSA-N 1 3 285.348 0.082 20 5 CCBDHO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612659 807324053 /nfs/dbraw/zinc/32/40/53/807324053.db2.gz BUDLLLQITIONPQ-RFGFWPKPSA-N 1 3 282.388 0.458 20 5 CCBDHO N=C(NCCCC[NH3+])Nc1cnc([N+](=O)[O-])cn1 ZINC001167882789 812403157 /nfs/dbraw/zinc/40/31/57/812403157.db2.gz XNAPQCFMNULWJJ-UHFFFAOYSA-N 1 3 253.266 0.060 20 5 CCBDHO [NH3+]CCN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168972620 836090112 /nfs/dbraw/zinc/09/01/12/836090112.db2.gz NNGGQEOXLVNOIW-RYUDHWBXSA-N 1 3 256.350 0.008 20 5 CCBDHO O=[N+]([O-])c1ccn(CCN2CCC3(CC[NH2+]C3)CC2)n1 ZINC000431027618 389845974 /nfs/dbraw/zinc/84/59/74/389845974.db2.gz KDGXRMANFWWLRR-UHFFFAOYSA-N 1 3 279.344 0.867 20 5 CCBDHO C[C@H]1C[C@@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000181443649 389686699 /nfs/dbraw/zinc/68/66/99/389686699.db2.gz LXWFEASULJXOOZ-QWRGUYRKSA-N 1 3 267.333 0.864 20 5 CCBDHO C[C@H]1C[C@@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000181443649 389686700 /nfs/dbraw/zinc/68/67/00/389686700.db2.gz LXWFEASULJXOOZ-QWRGUYRKSA-N 1 3 267.333 0.864 20 5 CCBDHO C[NH2+]CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430967753 389841887 /nfs/dbraw/zinc/84/18/87/389841887.db2.gz UOAJCIAQFAHZPR-UHFFFAOYSA-N 1 3 267.333 0.723 20 5 CCBDHO CN(C)CC[NH+](CCN(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169025973 836114744 /nfs/dbraw/zinc/11/47/44/836114744.db2.gz KIRQGKSLUIUJIM-ZIAGYGMSSA-N 1 3 286.420 0.857 20 5 CCBDHO C[C@@H](N)c1ccn(-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)n1 ZINC001158355862 801625486 /nfs/dbraw/zinc/62/54/86/801625486.db2.gz FRPDHCCRKPKUEP-SSDOTTSWSA-N 1 3 289.299 0.277 20 5 CCBDHO Cc1cc(NC(=N)NCCCC[NH3+])ncc1[N+](=O)[O-] ZINC001167878070 812375022 /nfs/dbraw/zinc/37/50/22/812375022.db2.gz FUAOXGNJPACTTG-UHFFFAOYSA-N 1 3 266.305 0.973 20 5 CCBDHO COc1ccnc(NC(=N)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001168736148 818542400 /nfs/dbraw/zinc/54/24/00/818542400.db2.gz KSSHMCLDKUYUGB-UHFFFAOYSA-N 1 3 294.315 0.592 20 5 CCBDHO C[C@H](N)c1ccn(-c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])n1 ZINC001169231641 836166008 /nfs/dbraw/zinc/16/60/08/836166008.db2.gz ONQJOWCKSWTTAM-ZETCQYMHSA-N 1 3 289.299 0.277 20 5 CCBDHO CN1Cc2cc(N[C@@H](N)CCC[NH3+])cc([N+](=O)[O-])c2N1 ZINC001170902533 839553810 /nfs/dbraw/zinc/55/38/10/839553810.db2.gz FMILYLASWTXZQI-LLVKDONJSA-N 1 3 280.332 0.803 20 5 CCBDHO O=[N+]([O-])c1ccn(CCN2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000572763145 390801792 /nfs/dbraw/zinc/80/17/92/390801792.db2.gz QOOTWKGXUQMMIZ-TXEJJXNPSA-N 1 3 279.344 0.723 20 5 CCBDHO CC(=O)O[C@H]1C[C@@H]2C[C@H](OCC[N+](C)(C)C)C[C@H]1N2C ZINC001224773124 805075139 /nfs/dbraw/zinc/07/51/39/805075139.db2.gz DXYJRYHRRJOTEL-XQLPTFJDSA-N 1 3 285.408 0.876 20 5 CCBDHO COC(=O)[C@@H](C[NH3+])CN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214292 842021497 /nfs/dbraw/zinc/02/14/97/842021497.db2.gz AJEVYIJDXCHKQU-JQWIXIFHSA-N 1 3 295.339 0.863 20 5 CCBDHO C[C@@H]1C[C@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000181443591 389686598 /nfs/dbraw/zinc/68/65/98/389686598.db2.gz LXWFEASULJXOOZ-GHMZBOCLSA-N 1 3 267.333 0.864 20 5 CCBDHO C[C@@H]1C[C@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000181443591 389686602 /nfs/dbraw/zinc/68/66/02/389686602.db2.gz LXWFEASULJXOOZ-GHMZBOCLSA-N 1 3 267.333 0.864 20 5 CCBDHO [NH3+]CCc1ccn(-c2cc3c(cc2[N+](=O)[O-])CNC3)n1 ZINC001167731087 811720110 /nfs/dbraw/zinc/72/01/10/811720110.db2.gz ZLIXZHBPEUSVQL-UHFFFAOYSA-N 1 3 273.296 0.885 20 5 CCBDHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000603434107 363131195 /nfs/dbraw/zinc/13/11/95/363131195.db2.gz QDGSAMZESNIPEF-UWVGGRQHSA-N 1 3 253.306 0.507 20 5 CCBDHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000603434107 363131201 /nfs/dbraw/zinc/13/12/01/363131201.db2.gz QDGSAMZESNIPEF-UWVGGRQHSA-N 1 3 253.306 0.507 20 5 CCBDHO C[C@H]([NH3+])C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000430928684 389835891 /nfs/dbraw/zinc/83/58/91/389835891.db2.gz VAAUUUJDTMAWSJ-JTQLQIEISA-N 1 3 267.333 0.851 20 5 CCBDHO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2[nH]c(N)nc2c1 ZINC001230506882 805608709 /nfs/dbraw/zinc/60/87/09/805608709.db2.gz JUEPUKQVQWXSBC-SECBINFHSA-N 1 3 293.347 0.508 20 5 CCBDHO CC(COC(=O)COC1CC[NH+](C)CC1)[N+](=O)[O-] ZINC001343664729 923408156 /nfs/dbraw/zinc/40/81/56/923408156.db2.gz RTUPHAWOYIBSBM-VIFPVBQESA-N 1 3 260.290 0.306 20 5 CCBDHO CN(CCOCC[NH3+])CCOc1ccccc1[N+](=O)[O-] ZINC000600738116 362050499 /nfs/dbraw/zinc/05/04/99/362050499.db2.gz ZVMMKNOPKNAFLF-UHFFFAOYSA-N 1 3 283.328 0.881 20 5 CCBDHO O=[N+]([O-])c1cnn(CCN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431037650 389847469 /nfs/dbraw/zinc/84/74/69/389847469.db2.gz LFGDEVWNSPDKFI-UHFFFAOYSA-N 1 3 279.344 0.867 20 5 CCBDHO CN1CCCC[C@H]1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224701987 815484911 /nfs/dbraw/zinc/48/49/11/815484911.db2.gz JRVJGIGGUWALSH-QWHCGFSZSA-N 1 3 273.397 0.471 20 5 CCBDHO [NH3+][C@@H]1CCC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000342136850 137087506 /nfs/dbraw/zinc/08/75/06/137087506.db2.gz MKPADGAERQVWSR-QJPTWQEYSA-N 1 3 279.344 0.851 20 5 CCBDHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000603430730 363129535 /nfs/dbraw/zinc/12/95/35/363129535.db2.gz CGMRFJLSKNDOTQ-BDAKNGLRSA-N 1 3 253.306 0.507 20 5 CCBDHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000603430730 363129540 /nfs/dbraw/zinc/12/95/40/363129540.db2.gz CGMRFJLSKNDOTQ-BDAKNGLRSA-N 1 3 253.306 0.507 20 5 CCBDHO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN ZINC000420358876 389991417 /nfs/dbraw/zinc/99/14/17/389991417.db2.gz VCHCSRAPXGYLLZ-GFCCVEGCSA-N 1 3 296.327 0.175 20 5 CCBDHO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN ZINC000420358876 389991419 /nfs/dbraw/zinc/99/14/19/389991419.db2.gz VCHCSRAPXGYLLZ-GFCCVEGCSA-N 1 3 296.327 0.175 20 5 CCBDHO [NH3+][C@@H]1CCC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000342108205 130265152 /nfs/dbraw/zinc/26/51/52/130265152.db2.gz QTOQPAGZANGTHG-RAIGVLPGSA-N 1 3 279.344 0.851 20 5 CCBDHO CN(C)CC[NH+](CCN(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025971 836115884 /nfs/dbraw/zinc/11/58/84/836115884.db2.gz KIRQGKSLUIUJIM-UONOGXRCSA-N 1 3 286.420 0.857 20 5 CCBDHO Cc1nn(C)c(NCC[N@@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000596425830 360891345 /nfs/dbraw/zinc/89/13/45/360891345.db2.gz WJSFHCFFAGFMSP-UHFFFAOYSA-N 1 3 298.391 0.932 20 5 CCBDHO Cc1nn(C)c(NCC[N@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000596425830 360891349 /nfs/dbraw/zinc/89/13/49/360891349.db2.gz WJSFHCFFAGFMSP-UHFFFAOYSA-N 1 3 298.391 0.932 20 5 CCBDHO [NH3+]CCOCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000357088489 144059098 /nfs/dbraw/zinc/05/90/98/144059098.db2.gz XIDMMUSLIBOFNL-LLVKDONJSA-N 1 3 295.343 0.451 20 5 CCBDHO COc1ccc([N+](=O)[O-])nc1NC(=N)NCCCC[NH3+] ZINC001167877817 812378525 /nfs/dbraw/zinc/37/85/25/812378525.db2.gz FALTWRZLLULWEV-UHFFFAOYSA-N 1 3 282.304 0.674 20 5 CCBDHO [NH3+]CCCN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168984693 836079343 /nfs/dbraw/zinc/07/93/43/836079343.db2.gz QAHIGEJFZRVGDG-STQMWFEESA-N 1 3 270.377 0.398 20 5 CCBDHO C[NH+](C)CCN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005307 836095762 /nfs/dbraw/zinc/09/57/62/836095762.db2.gz AHUONQHUPREOHC-UONOGXRCSA-N 1 3 284.404 0.611 20 5 CCBDHO CC1(C)C[NH2+]CC[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000420359684 389991219 /nfs/dbraw/zinc/99/12/19/389991219.db2.gz KARDHDFPVSCVSP-JTQLQIEISA-N 1 3 267.333 0.769 20 5 CCBDHO CC1(C)CNCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000420359684 389991220 /nfs/dbraw/zinc/99/12/20/389991220.db2.gz KARDHDFPVSCVSP-JTQLQIEISA-N 1 3 267.333 0.769 20 5 CCBDHO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000923334389 616150970 /nfs/dbraw/zinc/15/09/70/616150970.db2.gz HLIAXWRJBSIRME-YPMHNXCESA-N 1 3 297.359 0.226 20 5 CCBDHO [NH3+]CCN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168972623 836090170 /nfs/dbraw/zinc/09/01/70/836090170.db2.gz NNGGQEOXLVNOIW-VXGBXAGGSA-N 1 3 256.350 0.008 20 5 CCBDHO C[C@@H](C[N+](C)(C)C)OCCCN1CCN(C)CC1 ZINC001206595842 803273582 /nfs/dbraw/zinc/27/35/82/803273582.db2.gz JHOUYRUWAUEZJO-AWEZNQCLSA-N 1 3 258.430 0.735 20 5 CCBDHO COc1ccc([N+](=O)[O-])c(NC(=N)N2CC[NH+](C)CC2)n1 ZINC001168735702 818539364 /nfs/dbraw/zinc/53/93/64/818539364.db2.gz DQHKTWVUNMLZIQ-UHFFFAOYSA-N 1 3 294.315 0.592 20 5 CCBDHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855345728 644307043 /nfs/dbraw/zinc/30/70/43/644307043.db2.gz HHTAHRXCZGPKQF-QJPTWQEYSA-N 1 3 286.376 0.040 20 5 CCBDHO C[C@H](CC[NH+](C)C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049557024 348456512 /nfs/dbraw/zinc/45/65/12/348456512.db2.gz ZZFKQYHNYZWMRV-ZYHUDNBSSA-N 1 3 285.348 0.082 20 5 CCBDHO CC1(C)C[NH2+]CC[C@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000420359685 389991515 /nfs/dbraw/zinc/99/15/15/389991515.db2.gz KARDHDFPVSCVSP-SNVBAGLBSA-N 1 3 267.333 0.769 20 5 CCBDHO CC1(C)CNCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000420359685 389991517 /nfs/dbraw/zinc/99/15/17/389991517.db2.gz KARDHDFPVSCVSP-SNVBAGLBSA-N 1 3 267.333 0.769 20 5 CCBDHO CC1(C)CNCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000420361369 389992090 /nfs/dbraw/zinc/99/20/90/389992090.db2.gz MEGAVLQCUSLKNR-NSHDSACASA-N 1 3 267.333 0.769 20 5 CCBDHO [NH3+]CCOCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000357088490 144059041 /nfs/dbraw/zinc/05/90/41/144059041.db2.gz XIDMMUSLIBOFNL-NSHDSACASA-N 1 3 295.343 0.451 20 5 CCBDHO CN(C)CC[NH+](CCN(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169025970 836115020 /nfs/dbraw/zinc/11/50/20/836115020.db2.gz KIRQGKSLUIUJIM-KGLIPLIRSA-N 1 3 286.420 0.857 20 5 CCBDHO CN(CCOCC[NH3+])CCOc1ccc([N+](=O)[O-])cc1 ZINC000600733699 362048604 /nfs/dbraw/zinc/04/86/04/362048604.db2.gz BEIBBZFLQAYACU-UHFFFAOYSA-N 1 3 283.328 0.881 20 5 CCBDHO CN(C)C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173745517 351052758 /nfs/dbraw/zinc/05/27/58/351052758.db2.gz WGTNBIHIKOYDBN-AAEUAGOBSA-N 1 3 297.359 0.036 20 5 CCBDHO CN(C)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173745517 351052763 /nfs/dbraw/zinc/05/27/63/351052763.db2.gz WGTNBIHIKOYDBN-AAEUAGOBSA-N 1 3 297.359 0.036 20 5 CCBDHO O=[N+]([O-])c1cc2c(cc1NC[C@@]13C[NH2+][C@@H](CO1)C3)CNC2 ZINC001163203055 802506668 /nfs/dbraw/zinc/50/66/68/802506668.db2.gz QCYODHSCEGAOTN-BXUZGUMPSA-N 1 3 290.323 0.741 20 5 CCBDHO O=[N+]([O-])C[C@H]1CC[C@H](N2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612660 807324635 /nfs/dbraw/zinc/32/46/35/807324635.db2.gz BUDLLLQITIONPQ-XUXIUFHCSA-N 1 3 282.388 0.458 20 5 CCBDHO C[NH+](C)CCN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005306 836096028 /nfs/dbraw/zinc/09/60/28/836096028.db2.gz AHUONQHUPREOHC-KGLIPLIRSA-N 1 3 284.404 0.611 20 5 CCBDHO CC(C)[C@](C)(C[NH3+])NCCn1cc([N+](=O)[O-])cn1 ZINC000430584044 389810069 /nfs/dbraw/zinc/81/00/69/389810069.db2.gz NVZLUEYUCHWIDS-NSHDSACASA-N 1 3 255.322 0.754 20 5 CCBDHO Cc1nc(NC(=N)NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC001157094792 801299492 /nfs/dbraw/zinc/29/94/92/801299492.db2.gz WCMUDDRVRPCYGL-UHFFFAOYSA-N 1 3 266.305 0.973 20 5 CCBDHO CN1[C@@H]2C[C@@H](OCCC[N+](C)(C)C)[C@H]1CC(=O)C2 ZINC001224623715 815346870 /nfs/dbraw/zinc/34/68/70/815346870.db2.gz QBCOGBHSXVADIA-IACUBPJLSA-N 1 3 255.382 0.904 20 5 CCBDHO N=c1cc(C[NH3+])ccn1-c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167692758 811427114 /nfs/dbraw/zinc/42/71/14/811427114.db2.gz TYRMNKCLHZBDLZ-UHFFFAOYSA-N 1 3 285.307 0.927 20 5 CCBDHO CN1CCCC[C@@H]1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224701985 815485117 /nfs/dbraw/zinc/48/51/17/815485117.db2.gz JRVJGIGGUWALSH-CHWSQXEVSA-N 1 3 273.397 0.471 20 5 CCBDHO C[C@@H](N)c1ccn(-c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])n1 ZINC001169231640 836167416 /nfs/dbraw/zinc/16/74/16/836167416.db2.gz ONQJOWCKSWTTAM-SSDOTTSWSA-N 1 3 289.299 0.277 20 5 CCBDHO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)[C@@H]1C[NH2+]CCO1 ZINC001170568217 838132573 /nfs/dbraw/zinc/13/25/73/838132573.db2.gz FNMJUIOYPYORSU-OTYXRUKQSA-N 1 3 292.339 0.987 20 5 CCBDHO [NH3+]CC1(O)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420400965 389997143 /nfs/dbraw/zinc/99/71/43/389997143.db2.gz FTVIZDJFDTYYBB-UHFFFAOYSA-N 1 3 295.339 0.759 20 5 CCBDHO [NH3+][C@@H]1CCC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000342109240 130265667 /nfs/dbraw/zinc/26/56/67/130265667.db2.gz QTOQPAGZANGTHG-WCFLWFBJSA-N 1 3 279.344 0.851 20 5 CCBDHO CC(COC(=O)COC1CC[NH+](C)CC1)[N+](=O)[O-] ZINC001343664728 923407431 /nfs/dbraw/zinc/40/74/31/923407431.db2.gz RTUPHAWOYIBSBM-SECBINFHSA-N 1 3 260.290 0.306 20 5 CCBDHO [NH3+][C@@H]1CCC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000342136842 137087543 /nfs/dbraw/zinc/08/75/43/137087543.db2.gz MKPADGAERQVWSR-GRYCIOLGSA-N 1 3 279.344 0.851 20 5 CCBDHO CN(C)CCNc1ncnc(NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000603267985 420493262 /nfs/dbraw/zinc/49/32/62/420493262.db2.gz OXUKSFWIGHDLMY-UHFFFAOYSA-N 1 3 297.363 0.332 20 5 CCBDHO O=[N+]([O-])c1cnn(CCN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358503821 534889039 /nfs/dbraw/zinc/88/90/39/534889039.db2.gz GUGHLCZABYHCTI-UHFFFAOYSA-N 1 3 279.344 0.867 20 5 CCBDHO [NH3+][C@H]1COC[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162925243 819884040 /nfs/dbraw/zinc/88/40/40/819884040.db2.gz UWRAALCSPUVERE-GXSJLCMTSA-N 1 3 264.285 0.336 20 5 CCBDHO NCc1cnnn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169309703 836208148 /nfs/dbraw/zinc/20/81/48/836208148.db2.gz KDMDRKOCRTXKED-UHFFFAOYSA-N 1 3 260.257 0.237 20 5 CCBDHO C[C@@H](CC[NH+](C)C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049557021 348456567 /nfs/dbraw/zinc/45/65/67/348456567.db2.gz ZZFKQYHNYZWMRV-JQWIXIFHSA-N 1 3 285.348 0.082 20 5 CCBDHO CN(CCc1ccccc1[N+](=O)[O-])CCN1CC[NH2+]CC1 ZINC000071150895 388956393 /nfs/dbraw/zinc/95/63/93/388956393.db2.gz GTSWHSJPHWGYFP-UHFFFAOYSA-N 1 3 292.383 0.974 20 5 CCBDHO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000923334380 616150824 /nfs/dbraw/zinc/15/08/24/616150824.db2.gz HLIAXWRJBSIRME-AAEUAGOBSA-N 1 3 297.359 0.226 20 5 CCBDHO CCN1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000037894013 800001763 /nfs/dbraw/zinc/00/17/63/800001763.db2.gz BLLIIONZFYDMKR-YPMHNXCESA-N 1 3 297.359 0.084 20 5 CCBDHO CC[N@@H+]1CC[C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000037894013 800001768 /nfs/dbraw/zinc/00/17/68/800001768.db2.gz BLLIIONZFYDMKR-YPMHNXCESA-N 1 3 297.359 0.084 20 5 CCBDHO CC[N@H+]1CC[C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000037894013 800001772 /nfs/dbraw/zinc/00/17/72/800001772.db2.gz BLLIIONZFYDMKR-YPMHNXCESA-N 1 3 297.359 0.084 20 5 CCBDHO [NH3+]CC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000443064132 389872664 /nfs/dbraw/zinc/87/26/64/389872664.db2.gz BWRBLDFUQHTALE-NSHDSACASA-N 1 3 267.333 0.852 20 5 CCBDHO O=[N+]([O-])c1ccc(CNCCCN2CC[NH2+]CC2)cc1 ZINC000205307005 351924751 /nfs/dbraw/zinc/92/47/51/351924751.db2.gz OGABUZTYDJNOOD-UHFFFAOYSA-N 1 3 278.356 0.980 20 5 CCBDHO CN(C)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247693049 352423857 /nfs/dbraw/zinc/42/38/57/352423857.db2.gz WGTNBIHIKOYDBN-WCQYABFASA-N 1 3 297.359 0.036 20 5 CCBDHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247693049 352423860 /nfs/dbraw/zinc/42/38/60/352423860.db2.gz WGTNBIHIKOYDBN-WCQYABFASA-N 1 3 297.359 0.036 20 5 CCBDHO C[C@@H]1C[C@@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000181443629 389686104 /nfs/dbraw/zinc/68/61/04/389686104.db2.gz LXWFEASULJXOOZ-MNOVXSKESA-N 1 3 267.333 0.864 20 5 CCBDHO C[C@@H]1C[C@@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000181443629 389686107 /nfs/dbraw/zinc/68/61/07/389686107.db2.gz LXWFEASULJXOOZ-MNOVXSKESA-N 1 3 267.333 0.864 20 5 CCBDHO CCN1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000225264340 799711572 /nfs/dbraw/zinc/71/15/72/799711572.db2.gz BLLIIONZFYDMKR-DGCLKSJQSA-N 1 3 297.359 0.084 20 5 CCBDHO CC[N@@H+]1CC[C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000225264340 799711576 /nfs/dbraw/zinc/71/15/76/799711576.db2.gz BLLIIONZFYDMKR-DGCLKSJQSA-N 1 3 297.359 0.084 20 5 CCBDHO CC[N@H+]1CC[C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000225264340 799711582 /nfs/dbraw/zinc/71/15/82/799711582.db2.gz BLLIIONZFYDMKR-DGCLKSJQSA-N 1 3 297.359 0.084 20 5 CCBDHO CCC1([N-]c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[NH2+]C1 ZINC001157787681 801483881 /nfs/dbraw/zinc/48/38/81/801483881.db2.gz KNPMMCHIFCMDFU-UHFFFAOYSA-N 1 3 278.316 0.236 20 5 CCBDHO [NH3+]CCc1cnn(-c2cc3c(cc2[N+](=O)[O-])CNC3)c1 ZINC001168950034 836069968 /nfs/dbraw/zinc/06/99/68/836069968.db2.gz SSVVGOIXSCMHAT-UHFFFAOYSA-N 1 3 273.296 0.885 20 5 CCBDHO CC1(C)[C@H]([NH3+])C[C@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000603430735 363129347 /nfs/dbraw/zinc/12/93/47/363129347.db2.gz CGMRFJLSKNDOTQ-RKDXNWHRSA-N 1 3 253.306 0.507 20 5 CCBDHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000603430735 363129353 /nfs/dbraw/zinc/12/93/53/363129353.db2.gz CGMRFJLSKNDOTQ-RKDXNWHRSA-N 1 3 253.306 0.507 20 5 CCBDHO COc1ccc(CNCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414866186 389641627 /nfs/dbraw/zinc/64/16/27/389641627.db2.gz MJCQAMXTSDMLCS-UHFFFAOYSA-N 1 3 294.355 0.598 20 5 CCBDHO [NH3+]CCN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168972612 836089361 /nfs/dbraw/zinc/08/93/61/836089361.db2.gz NNGGQEOXLVNOIW-NEPJUHHUSA-N 1 3 256.350 0.008 20 5 CCBDHO CN(CC[NH3+])CCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170502599 837857343 /nfs/dbraw/zinc/85/73/43/837857343.db2.gz FBIKBCMOYWPIBE-UHFFFAOYSA-N 1 3 279.344 0.500 20 5 CCBDHO CC1(C)[C@H]([NH3+])C[C@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000603434106 363131093 /nfs/dbraw/zinc/13/10/93/363131093.db2.gz QDGSAMZESNIPEF-NXEZZACHSA-N 1 3 253.306 0.507 20 5 CCBDHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000603434106 363131097 /nfs/dbraw/zinc/13/10/97/363131097.db2.gz QDGSAMZESNIPEF-NXEZZACHSA-N 1 3 253.306 0.507 20 5 CCBDHO C[C@@](C[NH3+])(NCCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000430590815 389810732 /nfs/dbraw/zinc/81/07/32/389810732.db2.gz ITTCULUYAJJSRU-NSHDSACASA-N 1 3 253.306 0.508 20 5 CCBDHO CC1(C)CNCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000420361367 389991845 /nfs/dbraw/zinc/99/18/45/389991845.db2.gz MEGAVLQCUSLKNR-LLVKDONJSA-N 1 3 267.333 0.769 20 5 CCBDHO Cc1cc(CN)nn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156045050 822300690 /nfs/dbraw/zinc/30/06/90/822300690.db2.gz VVIKMYXIXAXFDJ-UHFFFAOYSA-N 1 3 289.299 0.024 20 5 CCBDHO COC(=O)[C@H](C[NH3+])CN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214279 842021702 /nfs/dbraw/zinc/02/17/02/842021702.db2.gz AJEVYIJDXCHKQU-CMPLNLGQSA-N 1 3 295.339 0.863 20 5 CCBDHO [NH3+]CC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000443057332 389872310 /nfs/dbraw/zinc/87/23/10/389872310.db2.gz GHYOSAUEBFEYAJ-NSHDSACASA-N 1 3 267.333 0.852 20 5 CCBDHO [NH3+]CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000430634657 389814569 /nfs/dbraw/zinc/81/45/69/389814569.db2.gz DVPIERNLIDQYPB-UHFFFAOYSA-N 1 3 253.306 0.462 20 5 CCBDHO C[N+](C)(C)C[C@H](O)CC(=O)OCCN1CCCCC1 ZINC001206709909 802866968 /nfs/dbraw/zinc/86/69/68/802866968.db2.gz STHMMCRLRAPHNM-CYBMUJFWSA-N 1 3 273.397 0.473 20 5 CCBDHO CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCC[N+](C)(C)C)C[C@H]1N2C ZINC001224773122 805075256 /nfs/dbraw/zinc/07/52/56/805075256.db2.gz DXYJRYHRRJOTEL-BYNSBNAKSA-N 1 3 285.408 0.876 20 5 CCBDHO CN(C)C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247693046 352423760 /nfs/dbraw/zinc/42/37/60/352423760.db2.gz WGTNBIHIKOYDBN-DGCLKSJQSA-N 1 3 297.359 0.036 20 5 CCBDHO CN(C)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247693046 352423764 /nfs/dbraw/zinc/42/37/64/352423764.db2.gz WGTNBIHIKOYDBN-DGCLKSJQSA-N 1 3 297.359 0.036 20 5 CCBDHO Cc1cc([N+](=O)[O-])ccc1CNCCN1CC[NH2+]CC1 ZINC000414859495 389640159 /nfs/dbraw/zinc/64/01/59/389640159.db2.gz AYNRWDUMYROKEM-UHFFFAOYSA-N 1 3 278.356 0.898 20 5 CCBDHO C[C@H]1C[C@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000181443609 389686198 /nfs/dbraw/zinc/68/61/98/389686198.db2.gz LXWFEASULJXOOZ-WDEREUQCSA-N 1 3 267.333 0.864 20 5 CCBDHO C[C@H]1C[C@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000181443609 389686200 /nfs/dbraw/zinc/68/62/00/389686200.db2.gz LXWFEASULJXOOZ-WDEREUQCSA-N 1 3 267.333 0.864 20 5 CCBDHO [NH3+]CC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000443057331 389872360 /nfs/dbraw/zinc/87/23/60/389872360.db2.gz GHYOSAUEBFEYAJ-LLVKDONJSA-N 1 3 267.333 0.852 20 5 CCBDHO C[C@@H]([NH3+])C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430924398 389834692 /nfs/dbraw/zinc/83/46/92/389834692.db2.gz HXZTZCUYPRYGOA-SNVBAGLBSA-N 1 3 267.333 0.851 20 5 CCBDHO CC(C)(C)[C@@H](C[NH3+])NCCn1ccc([N+](=O)[O-])n1 ZINC000420360733 389991331 /nfs/dbraw/zinc/99/13/31/389991331.db2.gz LJQRVTDSOZSHMO-SECBINFHSA-N 1 3 255.322 0.754 20 5 CCBDHO CN(CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](CCO)CC1 ZINC000357917564 144133332 /nfs/dbraw/zinc/13/33/32/144133332.db2.gz SAADUUAJNCEJTM-UHFFFAOYSA-N 1 3 297.359 0.180 20 5 CCBDHO [NH3+]CCCN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168984692 836079719 /nfs/dbraw/zinc/07/97/19/836079719.db2.gz QAHIGEJFZRVGDG-QWHCGFSZSA-N 1 3 270.377 0.398 20 5 CCBDHO [NH3+]CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430636187 389814774 /nfs/dbraw/zinc/81/47/74/389814774.db2.gz IOBSILGNSHKTGA-UHFFFAOYSA-N 1 3 253.306 0.462 20 5 CCBDHO NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246412386 807247721 /nfs/dbraw/zinc/24/77/21/807247721.db2.gz CJJDGNIZNZPALE-AXFHLTTASA-N 1 3 272.349 0.004 20 5 CCBDHO C[N@H+](CCN)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420385332 389995386 /nfs/dbraw/zinc/99/53/86/389995386.db2.gz STQAVQGVOCCZPM-UHFFFAOYSA-N 1 3 294.311 0.783 20 5 CCBDHO C[N@@H+](CCN)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420385332 389995387 /nfs/dbraw/zinc/99/53/87/389995387.db2.gz STQAVQGVOCCZPM-UHFFFAOYSA-N 1 3 294.311 0.783 20 5 CCBDHO CN(C)/C=C/c1cc(N[C@@H](N)CCC[NH3+])ncc1[N+](=O)[O-] ZINC001159786762 801871026 /nfs/dbraw/zinc/87/10/26/801871026.db2.gz JPKFWCWQFCFNBD-HOSRBBHYSA-N 1 3 294.359 0.958 20 5 CCBDHO C[NH+](C)CCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133295001 838592084 /nfs/dbraw/zinc/59/20/84/838592084.db2.gz ZJTUOAGKXKFQPX-UHFFFAOYSA-N 1 3 294.355 0.752 20 5 CCBDHO COC(=O)[C@H](C[NH3+])CN[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214294 842023551 /nfs/dbraw/zinc/02/35/51/842023551.db2.gz AJEVYIJDXCHKQU-ZYHUDNBSSA-N 1 3 295.339 0.863 20 5 CCBDHO O=[N+]([O-])CCNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001336804246 921022317 /nfs/dbraw/zinc/02/23/17/921022317.db2.gz MWSNGJFDLAMYBC-UHFFFAOYSA-N 1 3 293.367 0.880 20 5 CCBDHO [NH3+]CC1(O)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000420410086 389998347 /nfs/dbraw/zinc/99/83/47/389998347.db2.gz ZSDOMMSTUVTJTH-UHFFFAOYSA-N 1 3 295.339 0.759 20 5 CCBDHO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000923334386 616133181 /nfs/dbraw/zinc/13/31/81/616133181.db2.gz HLIAXWRJBSIRME-WCQYABFASA-N 1 3 297.359 0.226 20 5 CCBDHO C[NH+]1CCN(C(=N)Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001157914362 801518540 /nfs/dbraw/zinc/51/85/40/801518540.db2.gz DFZWFAUOYSJBOG-UHFFFAOYSA-N 1 3 282.279 0.723 20 5 CCBDHO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246081946 807147066 /nfs/dbraw/zinc/14/70/66/807147066.db2.gz KGLFCBBBAOOXQW-WHOHXGKFSA-N 1 3 275.324 0.084 20 5 CCBDHO [NH3+][C@@H]1CCC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000342136857 355727545 /nfs/dbraw/zinc/72/75/45/355727545.db2.gz MKPADGAERQVWSR-SDDRHHMPSA-N 1 3 279.344 0.851 20 5 CCBDHO O=[N+]([O-])c1cccc(CNCCCN2CC[NH2+]CC2)c1 ZINC000414776583 389637029 /nfs/dbraw/zinc/63/70/29/389637029.db2.gz FSYVDKFESQSACE-UHFFFAOYSA-N 1 3 278.356 0.980 20 5 CCBDHO O=[N+]([O-])c1ccccc1CNCCCN1CC[NH2+]CC1 ZINC000414782943 389637793 /nfs/dbraw/zinc/63/77/93/389637793.db2.gz PVXULMQQEUUDJX-UHFFFAOYSA-N 1 3 278.356 0.980 20 5 CCBDHO C[C@H](N)c1ccn(-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)n1 ZINC001158355863 801625834 /nfs/dbraw/zinc/62/58/34/801625834.db2.gz FRPDHCCRKPKUEP-ZETCQYMHSA-N 1 3 289.299 0.277 20 5 CCBDHO CC[NH+]1CCC(N2CCCN(CC[N+](=O)[O-])CC2)CC1 ZINC000930748584 615100031 /nfs/dbraw/zinc/10/00/31/615100031.db2.gz BYVCSDLNQCIHCT-UHFFFAOYSA-N 1 3 284.404 0.755 20 5 CCBDHO C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903499450 634582039 /nfs/dbraw/zinc/58/20/39/634582039.db2.gz VUWFPFCVGUBOOD-NXEZZACHSA-N 1 3 267.333 0.745 20 5 CCBDHO COc1nc(NC(=N)NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC001157094559 801299025 /nfs/dbraw/zinc/29/90/25/801299025.db2.gz TYSOUKUAXKOYEN-UHFFFAOYSA-N 1 3 282.304 0.674 20 5 CCBDHO O=[N+]([O-])c1cc2c(cc1N[C@H]1C[NH2+]C[C@H]1CO)CNC2 ZINC001170776783 839099260 /nfs/dbraw/zinc/09/92/60/839099260.db2.gz BOEVEXUREDEWTI-JQWIXIFHSA-N 1 3 278.312 0.190 20 5 CCBDHO COc1cnc(NC(=[NH2+])N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001157915126 801519048 /nfs/dbraw/zinc/51/90/48/801519048.db2.gz QOGXWAOHWKVVEP-UHFFFAOYSA-N 1 3 294.315 0.592 20 5 CCBDHO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612653 807324965 /nfs/dbraw/zinc/32/49/65/807324965.db2.gz BUDLLLQITIONPQ-CRWXNKLISA-N 1 3 282.388 0.458 20 5 CCBDHO [NH3+]C[C@@H](O)CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465417 808245252 /nfs/dbraw/zinc/24/52/52/808245252.db2.gz ZAFPLPPQRSTLMZ-CQSZACIVSA-N 1 3 294.355 0.473 20 5 CCBDHO N=C(NCCCC[NH3+])Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001167878053 812377255 /nfs/dbraw/zinc/37/72/55/812377255.db2.gz OBUXNQMINSTVMG-UHFFFAOYSA-N 1 3 292.303 0.541 20 5 CCBDHO C[NH+](C)CCN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005309 836095862 /nfs/dbraw/zinc/09/58/62/836095862.db2.gz AHUONQHUPREOHC-ZIAGYGMSSA-N 1 3 284.404 0.611 20 5 CCBDHO CN(CCOCC[NH3+])CCOc1cccc([N+](=O)[O-])c1 ZINC000600735629 362050676 /nfs/dbraw/zinc/05/06/76/362050676.db2.gz MSFANHACUZJQFJ-UHFFFAOYSA-N 1 3 283.328 0.881 20 5 CCBDHO C[C@H](C[N+](C)(C)C)Oc1ccc(C[C@H](N)C(N)=O)cc1 ZINC001218356658 803950599 /nfs/dbraw/zinc/95/05/99/803950599.db2.gz RBMNGANYJUREOY-RISCZKNCSA-O 1 3 280.392 0.515 20 5 CCBDHO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN ZINC000420358879 389991318 /nfs/dbraw/zinc/99/13/18/389991318.db2.gz VCHCSRAPXGYLLZ-LBPRGKRZSA-N 1 3 296.327 0.175 20 5 CCBDHO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN ZINC000420358879 389991320 /nfs/dbraw/zinc/99/13/20/389991320.db2.gz VCHCSRAPXGYLLZ-LBPRGKRZSA-N 1 3 296.327 0.175 20 5 CCBDHO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612657 807324762 /nfs/dbraw/zinc/32/47/62/807324762.db2.gz BUDLLLQITIONPQ-MQYQWHSLSA-N 1 3 282.388 0.458 20 5 CCBDHO O=[N+]([O-])c1cc2c(cc1N[C@H]1C[NH2+]C[C@@H]1CO)CNC2 ZINC001170776788 839099316 /nfs/dbraw/zinc/09/93/16/839099316.db2.gz BOEVEXUREDEWTI-PWSUYJOCSA-N 1 3 278.312 0.190 20 5 CCBDHO CN(CCc1ccc([N+](=O)[O-])cc1)CCN1CC[NH2+]CC1 ZINC000071150695 348904419 /nfs/dbraw/zinc/90/44/19/348904419.db2.gz RYEGYGUUYVLMGI-UHFFFAOYSA-N 1 3 292.383 0.974 20 5 CCBDHO CN(C)CCNc1nc(NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000192263099 389030737 /nfs/dbraw/zinc/03/07/37/389030737.db2.gz FEVWDKDFBCEHEZ-UHFFFAOYSA-N 1 3 296.375 0.937 20 5 CCBDHO C[C@H]([NH3+])C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430924397 389835062 /nfs/dbraw/zinc/83/50/62/389835062.db2.gz HXZTZCUYPRYGOA-JTQLQIEISA-N 1 3 267.333 0.851 20 5 CCBDHO NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246412394 807246939 /nfs/dbraw/zinc/24/69/39/807246939.db2.gz CJJDGNIZNZPALE-VWYCJHECSA-N 1 3 272.349 0.004 20 5 CCBDHO O=[N+]([O-])c1cnn(CCN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000583755701 390309198 /nfs/dbraw/zinc/30/91/98/390309198.db2.gz BJDROGGSXKJMMF-TXEJJXNPSA-N 1 3 279.344 0.723 20 5 CCBDHO CN(C)/C=C/c1cc(N[C@H](N)CCC[NH3+])ncc1[N+](=O)[O-] ZINC001159786763 801872036 /nfs/dbraw/zinc/87/20/36/801872036.db2.gz JPKFWCWQFCFNBD-PZBABLGHSA-N 1 3 294.359 0.958 20 5 CCBDHO CCN(CC)CCNC(=[NH2+])Nc1ncc([N+](=O)[O-])cc1N ZINC001163128140 802489028 /nfs/dbraw/zinc/48/90/28/802489028.db2.gz AMNCZFXRNDIPNN-UHFFFAOYSA-N 1 3 295.347 0.850 20 5 CCBDHO [NH3+]C[C@H](O)CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465416 808244814 /nfs/dbraw/zinc/24/48/14/808244814.db2.gz ZAFPLPPQRSTLMZ-AWEZNQCLSA-N 1 3 294.355 0.473 20 5 CCBDHO COC(=O)[C@@H](C[NH3+])CN[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214293 842022920 /nfs/dbraw/zinc/02/29/20/842022920.db2.gz AJEVYIJDXCHKQU-PWSUYJOCSA-N 1 3 295.339 0.863 20 5 CCBDHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000603430734 363130212 /nfs/dbraw/zinc/13/02/12/363130212.db2.gz CGMRFJLSKNDOTQ-IUCAKERBSA-N 1 3 253.306 0.507 20 5 CCBDHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000603430734 363130217 /nfs/dbraw/zinc/13/02/17/363130217.db2.gz CGMRFJLSKNDOTQ-IUCAKERBSA-N 1 3 253.306 0.507 20 5 CCBDHO COc1cc(NC(=N)NCCCC[NH3+])ncc1[N+](=O)[O-] ZINC001157095977 801299119 /nfs/dbraw/zinc/29/91/19/801299119.db2.gz DBLPENKMISMCDM-UHFFFAOYSA-N 1 3 282.304 0.674 20 5 CCBDHO Cc1cc(CN)nn1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001163981150 802644772 /nfs/dbraw/zinc/64/47/72/802644772.db2.gz FPGNWQFGBNLPJC-UHFFFAOYSA-N 1 3 289.299 0.024 20 5 CCBDHO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)[C@@H]1C[NH2+]CCO1 ZINC001170568220 838132414 /nfs/dbraw/zinc/13/24/14/838132414.db2.gz FNMJUIOYPYORSU-XPTSAGLGSA-N 1 3 292.339 0.987 20 5 CCBDHO Cn1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])n1 ZINC000603428578 363127433 /nfs/dbraw/zinc/12/74/33/363127433.db2.gz JNFKJAVHYRYMRQ-PHIMTYICSA-N 1 3 279.344 0.760 20 5 CCBDHO CC(C)[C@@](C)(C[NH3+])NCCn1cc([N+](=O)[O-])cn1 ZINC000430584038 389810009 /nfs/dbraw/zinc/81/00/09/389810009.db2.gz NVZLUEYUCHWIDS-LLVKDONJSA-N 1 3 255.322 0.754 20 5 CCBDHO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc(N)c1 ZINC001226656207 805261835 /nfs/dbraw/zinc/26/18/35/805261835.db2.gz LAYGORFMCLHMAA-SECBINFHSA-N 1 3 254.310 0.026 20 5 CCBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[NH2+]C[C@@H]1CO)CNC2 ZINC001170776793 839099762 /nfs/dbraw/zinc/09/97/62/839099762.db2.gz BOEVEXUREDEWTI-ZYHUDNBSSA-N 1 3 278.312 0.190 20 5 CCBDHO C[NH+](C)CCN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005296 836095476 /nfs/dbraw/zinc/09/54/76/836095476.db2.gz AHUONQHUPREOHC-KBPBESRZSA-N 1 3 284.404 0.611 20 5 CCBDHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000603434110 363131810 /nfs/dbraw/zinc/13/18/10/363131810.db2.gz QDGSAMZESNIPEF-ZJUUUORDSA-N 1 3 253.306 0.507 20 5 CCBDHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000603434110 363131815 /nfs/dbraw/zinc/13/18/15/363131815.db2.gz QDGSAMZESNIPEF-ZJUUUORDSA-N 1 3 253.306 0.507 20 5 CCBDHO CC(C)(C)[C@H](C[NH3+])NCCn1ccc([N+](=O)[O-])n1 ZINC000420360747 389991499 /nfs/dbraw/zinc/99/14/99/389991499.db2.gz LJQRVTDSOZSHMO-VIFPVBQESA-N 1 3 255.322 0.754 20 5 CCBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[NH2+][C@@H]3COC[C@H]13)CNC2 ZINC001163146052 802493988 /nfs/dbraw/zinc/49/39/88/802493988.db2.gz GFLZVSLWUGWWLN-RAIGVLPGSA-N 1 3 290.323 0.597 20 5 CCBDHO CN1[C@@H]2C[C@H](OCCC[N+](C)(C)C)[C@H]1CC(=O)C2 ZINC001224623723 815347739 /nfs/dbraw/zinc/34/77/39/815347739.db2.gz QBCOGBHSXVADIA-YUTCNCBUSA-N 1 3 255.382 0.904 20 5 CCBDHO C[NH2+]CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000430964929 389841110 /nfs/dbraw/zinc/84/11/10/389841110.db2.gz JRPGVNKHMIMSJG-UHFFFAOYSA-N 1 3 267.333 0.723 20 5 CCBDHO [NH3+]CCN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168972616 836090889 /nfs/dbraw/zinc/09/08/89/836090889.db2.gz NNGGQEOXLVNOIW-NWDGAFQWSA-N 1 3 256.350 0.008 20 5 CCBDHO CN1Cc2cc(N[C@H](N)CCC[NH3+])cc([N+](=O)[O-])c2N1 ZINC001170902534 839553686 /nfs/dbraw/zinc/55/36/86/839553686.db2.gz FMILYLASWTXZQI-NSHDSACASA-N 1 3 280.332 0.803 20 5 CCBDHO C[C@@H]1CN(CCCC[NH2+]CC[N+](=O)[O-])C[C@H](C)O1 ZINC001353279124 925779741 /nfs/dbraw/zinc/77/97/41/925779741.db2.gz ZCMXNLBNEHRSCY-TXEJJXNPSA-N 1 3 259.350 0.742 20 5 CCBDHO C[C@@H]1CN(CCCC[NH2+]CC[N+](=O)[O-])C[C@@H](C)O1 ZINC001353279125 925780115 /nfs/dbraw/zinc/78/01/15/925780115.db2.gz ZCMXNLBNEHRSCY-VXGBXAGGSA-N 1 3 259.350 0.742 20 5 CCBDHO O=[N+]([O-])c1ccccc1CNCCN1CC[NH2+]CC1 ZINC000083478372 389002912 /nfs/dbraw/zinc/00/29/12/389002912.db2.gz KVABKQYJSADYRZ-UHFFFAOYSA-N 1 3 264.329 0.590 20 5 CCBDHO O=[N+]([O-])c1ccc(CNCCN2CC[NH2+]CC2)cc1 ZINC000083478369 178491517 /nfs/dbraw/zinc/49/15/17/178491517.db2.gz ZMJYJTWGYNOPEG-UHFFFAOYSA-N 1 3 264.329 0.590 20 5 CCBDHO [NH3+][C@@H]1CCC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000342108201 130265755 /nfs/dbraw/zinc/26/57/55/130265755.db2.gz QTOQPAGZANGTHG-CYZMBNFOSA-N 1 3 279.344 0.851 20 5 CCBDHO NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246412391 807247848 /nfs/dbraw/zinc/24/78/48/807247848.db2.gz CJJDGNIZNZPALE-DCAQKATOSA-N 1 3 272.349 0.004 20 5 CCBDHO Cc1nc(CC[NH3+])nn1-c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168987337 836101162 /nfs/dbraw/zinc/10/11/62/836101162.db2.gz KIKWPCSRDZDONV-UHFFFAOYSA-N 1 3 288.311 0.588 20 5 CCBDHO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)[C@H]1C[NH2+]CCO1 ZINC001170568222 838132174 /nfs/dbraw/zinc/13/21/74/838132174.db2.gz FNMJUIOYPYORSU-YMTOWFKASA-N 1 3 292.339 0.987 20 5 CCBDHO [NH3+]CCOCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000570451693 291757902 /nfs/dbraw/zinc/75/79/02/291757902.db2.gz YFRLQZYDJJIRAE-UHFFFAOYSA-N 1 3 283.332 0.404 20 5 CCBDHO [NH3+]CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000584356621 328739430 /nfs/dbraw/zinc/73/94/30/328739430.db2.gz WEEPAZLZDDBFMY-UHFFFAOYSA-N 1 3 267.333 0.852 20 5 CCBDHO NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246412393 807246991 /nfs/dbraw/zinc/24/69/91/807246991.db2.gz CJJDGNIZNZPALE-MXWKQRLJSA-N 1 3 272.349 0.004 20 5 CCBDHO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000923334383 616133092 /nfs/dbraw/zinc/13/30/92/616133092.db2.gz HLIAXWRJBSIRME-DGCLKSJQSA-N 1 3 297.359 0.226 20 5 CCBDHO NCc1cn(-c2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cn1 ZINC001162303962 802309957 /nfs/dbraw/zinc/30/99/57/802309957.db2.gz BVAPANBSGYWWLI-UHFFFAOYSA-N 1 3 259.269 0.842 20 5 CCBDHO CN(C)CC[NH+](CCN(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025969 836115794 /nfs/dbraw/zinc/11/57/94/836115794.db2.gz KIRQGKSLUIUJIM-KBPBESRZSA-N 1 3 286.420 0.857 20 5 CCBDHO