smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(C2CC[NH+](CC[N+](=O)[O-])CC2)CC1 ZINC001351572139 891158452 /nfs/dbraw/zinc/15/84/52/891158452.db2.gz QGPJVPJNKJRMSE-UHFFFAOYSA-N 2 2 256.350 -0.025 20 5 CBBDLP [NH3+][C@H]1C[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702586 354878892 /nfs/dbraw/zinc/87/88/92/354878892.db2.gz NMXGHLKRVDNQGH-ONGXEEELSA-N 2 2 294.315 -0.965 20 5 CBBDLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702586 354878895 /nfs/dbraw/zinc/87/88/95/354878895.db2.gz NMXGHLKRVDNQGH-ONGXEEELSA-N 2 2 294.315 -0.965 20 5 CBBDLP COc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001157911093 815481358 /nfs/dbraw/zinc/48/13/58/815481358.db2.gz XHQLXWBRDZPZJL-UHFFFAOYSA-N 2 2 295.303 -0.013 20 5 CBBDLP COc1ncc([N+](=O)[O-])c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168735492 820169393 /nfs/dbraw/zinc/16/93/93/820169393.db2.gz RHRIJLDCXDOPNM-UHFFFAOYSA-N 2 2 295.303 -0.013 20 5 CBBDLP COc1ncc([N+](=O)[O-])c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071819 820205085 /nfs/dbraw/zinc/20/50/85/820205085.db2.gz MYKPSXSLBHUTTL-SSDOTTSWSA-N 2 2 294.271 -0.559 20 5 CBBDLP Cn1c[nH+]cc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001222595041 825218292 /nfs/dbraw/zinc/21/82/92/825218292.db2.gz MIGFESCSBJMHDS-LLVKDONJSA-N 2 2 256.326 -0.080 20 5 CBBDLP C[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000581883046 336159025 /nfs/dbraw/zinc/15/90/25/336159025.db2.gz FGDRRHVKTCMTML-SNVBAGLBSA-N 2 2 296.331 -0.717 20 5 CBBDLP C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000581883046 336159026 /nfs/dbraw/zinc/15/90/26/336159026.db2.gz FGDRRHVKTCMTML-SNVBAGLBSA-N 2 2 296.331 -0.717 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000903869292 584902740 /nfs/dbraw/zinc/90/27/40/584902740.db2.gz GKYCOCVAQPOIDN-CHWSQXEVSA-N 2 2 295.343 -0.020 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000903869292 584902741 /nfs/dbraw/zinc/90/27/41/584902741.db2.gz GKYCOCVAQPOIDN-CHWSQXEVSA-N 2 2 295.343 -0.020 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000923277378 658191402 /nfs/dbraw/zinc/19/14/02/658191402.db2.gz GJOOYGYUZJYXRK-LLVKDONJSA-N 2 2 269.305 -0.553 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[NH2+]CC2)c1 ZINC000923277378 658191426 /nfs/dbraw/zinc/19/14/26/658191426.db2.gz GJOOYGYUZJYXRK-LLVKDONJSA-N 2 2 269.305 -0.553 20 5 CBBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001169075130 820205642 /nfs/dbraw/zinc/20/56/42/820205642.db2.gz WCXFAMWCVUATHA-MRVPVSSYSA-N 2 2 279.256 -0.724 20 5 CBBDLP C[NH2+]C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001350909036 891064680 /nfs/dbraw/zinc/06/46/80/891064680.db2.gz HJQHSFDKIFNWGC-LBPRGKRZSA-N 2 2 283.332 -0.164 20 5 CBBDLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702583 354877858 /nfs/dbraw/zinc/87/78/58/354877858.db2.gz NMXGHLKRVDNQGH-GXSJLCMTSA-N 2 2 294.315 -0.965 20 5 CBBDLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702583 354877860 /nfs/dbraw/zinc/87/78/60/354877860.db2.gz NMXGHLKRVDNQGH-GXSJLCMTSA-N 2 2 294.315 -0.965 20 5 CBBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000611185729 355796385 /nfs/dbraw/zinc/79/63/85/355796385.db2.gz VVBXUHYJWPPJDA-PHIMTYICSA-N 2 2 278.312 -0.092 20 5 CBBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000611185729 355796389 /nfs/dbraw/zinc/79/63/89/355796389.db2.gz VVBXUHYJWPPJDA-PHIMTYICSA-N 2 2 278.312 -0.092 20 5 CBBDLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1[N+](=O)[O-] ZINC001158209285 815514388 /nfs/dbraw/zinc/51/43/88/815514388.db2.gz OZEBWYDILFQLSU-MRVPVSSYSA-N 2 2 278.272 -0.259 20 5 CBBDLP Cc1ncc([N+](=O)[O-])c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204666 815513849 /nfs/dbraw/zinc/51/38/49/815513849.db2.gz SXYVZTSUGRWPBP-MRVPVSSYSA-N 2 2 278.272 -0.259 20 5 CBBDLP O=C(C[NH2+]CC[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC001120503610 812976083 /nfs/dbraw/zinc/97/60/83/812976083.db2.gz VAGLJQDOTNBRES-UHFFFAOYSA-N 2 2 272.349 -0.155 20 5 CBBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000597989647 355425723 /nfs/dbraw/zinc/42/57/23/355425723.db2.gz HMDSFPNAWKMEBH-UHFFFAOYSA-N 2 2 298.347 -0.069 20 5 CBBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000597989647 355425727 /nfs/dbraw/zinc/42/57/27/355425727.db2.gz HMDSFPNAWKMEBH-UHFFFAOYSA-N 2 2 298.347 -0.069 20 5 CBBDLP Cn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602495843 355654046 /nfs/dbraw/zinc/65/40/46/355654046.db2.gz XXTQEJHTVVXWOV-DTORHVGOSA-N 2 2 251.290 -0.021 20 5 CBBDLP Cn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602495843 355654048 /nfs/dbraw/zinc/65/40/48/355654048.db2.gz XXTQEJHTVVXWOV-DTORHVGOSA-N 2 2 251.290 -0.021 20 5 CBBDLP Cn1cc(C[N@H+](C)CCOCC[NH3+])c([N+](=O)[O-])n1 ZINC000603428565 355715077 /nfs/dbraw/zinc/71/50/77/355715077.db2.gz JIXGURDNLJOBRX-UHFFFAOYSA-N 2 2 257.294 -0.265 20 5 CBBDLP Cn1cc(C[N@@H+](C)CCOCC[NH3+])c([N+](=O)[O-])n1 ZINC000603428565 355715081 /nfs/dbraw/zinc/71/50/81/355715081.db2.gz JIXGURDNLJOBRX-UHFFFAOYSA-N 2 2 257.294 -0.265 20 5 CBBDLP C[NH2+]C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001350909020 891064429 /nfs/dbraw/zinc/06/44/29/891064429.db2.gz HJQHSFDKIFNWGC-GFCCVEGCSA-N 2 2 283.332 -0.164 20 5 CBBDLP Cn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602495844 355654068 /nfs/dbraw/zinc/65/40/68/355654068.db2.gz XXTQEJHTVVXWOV-IUCAKERBSA-N 2 2 251.290 -0.021 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000903869294 584902844 /nfs/dbraw/zinc/90/28/44/584902844.db2.gz GKYCOCVAQPOIDN-QWHCGFSZSA-N 2 2 295.343 -0.020 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000903869294 584902845 /nfs/dbraw/zinc/90/28/45/584902845.db2.gz GKYCOCVAQPOIDN-QWHCGFSZSA-N 2 2 295.343 -0.020 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000923277379 658187670 /nfs/dbraw/zinc/18/76/70/658187670.db2.gz GJOOYGYUZJYXRK-NSHDSACASA-N 2 2 269.305 -0.553 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[NH2+]CC2)c1 ZINC000923277379 658187724 /nfs/dbraw/zinc/18/77/24/658187724.db2.gz GJOOYGYUZJYXRK-NSHDSACASA-N 2 2 269.305 -0.553 20 5 CBBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001157910818 815481927 /nfs/dbraw/zinc/48/19/27/815481927.db2.gz RKZJXNRLCQTKNR-UHFFFAOYSA-N 2 2 280.288 -0.178 20 5 CBBDLP Nc1cc([N+](=O)[O-])cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206732 815513903 /nfs/dbraw/zinc/51/39/03/815513903.db2.gz YSKTUBJWAQOQQY-SSDOTTSWSA-N 2 2 278.272 -0.380 20 5 CBBDLP COc1ncnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001158204570 815514274 /nfs/dbraw/zinc/51/42/74/815514274.db2.gz RBOFVCYZZNDFNJ-SSDOTTSWSA-N 2 2 294.271 -0.559 20 5 CBBDLP Cn1cc(NC(=[NH2+])N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1=O ZINC001168737348 820171882 /nfs/dbraw/zinc/17/18/82/820171882.db2.gz YXRXMHOALKHKOA-UHFFFAOYSA-N 2 2 294.315 -0.112 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCn2cc[nH+]c2)c1 ZINC000049076857 351486350 /nfs/dbraw/zinc/48/63/50/351486350.db2.gz SSIYMKOQVORSCR-NSHDSACASA-N 2 2 280.288 -0.362 20 5 CBBDLP [NH3+]C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000592983505 355188766 /nfs/dbraw/zinc/18/87/66/355188766.db2.gz WCQDGCNPLBZSHH-NSHDSACASA-N 2 2 269.305 -0.159 20 5 CBBDLP [NH3+]C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000592983505 355188767 /nfs/dbraw/zinc/18/87/67/355188767.db2.gz WCQDGCNPLBZSHH-NSHDSACASA-N 2 2 269.305 -0.159 20 5 CBBDLP O=[N+]([O-])CC[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000905122692 656340336 /nfs/dbraw/zinc/34/03/36/656340336.db2.gz TZMVFVIBIOZKFR-LBPRGKRZSA-N 2 2 272.349 -0.741 20 5 CBBDLP CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000923425422 658275210 /nfs/dbraw/zinc/27/52/10/658275210.db2.gz MYYRACBLOVWVSI-JQWIXIFHSA-N 2 2 283.332 -0.164 20 5 CBBDLP CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000923425422 658275220 /nfs/dbraw/zinc/27/52/20/658275220.db2.gz MYYRACBLOVWVSI-JQWIXIFHSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[NH+]1CCN(C(=[NH2+])Nc2nccnc2[N+](=O)[O-])CC1 ZINC001168736144 820170285 /nfs/dbraw/zinc/17/02/85/820170285.db2.gz KQWBAKQDQOIEHZ-UHFFFAOYSA-N 2 2 265.277 -0.021 20 5 CBBDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC001168737330 820172197 /nfs/dbraw/zinc/17/21/97/820172197.db2.gz ZKVUXGLNNDEMIQ-UHFFFAOYSA-N 2 2 265.277 -0.021 20 5 CBBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc([N+](=O)[O-])cn1 ZINC001169067767 820203695 /nfs/dbraw/zinc/20/36/95/820203695.db2.gz XUGSDUOGZBAGQX-SSDOTTSWSA-N 2 2 264.245 -0.567 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCn2cc[nH+]c2)c1 ZINC000049076860 351485746 /nfs/dbraw/zinc/48/57/46/351485746.db2.gz SSIYMKOQVORSCR-LLVKDONJSA-N 2 2 280.288 -0.362 20 5 CBBDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591733998 355112496 /nfs/dbraw/zinc/11/24/96/355112496.db2.gz UAEOUMYFDIOYHZ-ZYHUDNBSSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591733998 355112502 /nfs/dbraw/zinc/11/25/02/355112502.db2.gz UAEOUMYFDIOYHZ-ZYHUDNBSSA-N 2 2 283.332 -0.164 20 5 CBBDLP O=[N+]([O-])c1cnn(CC[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000601328019 355586297 /nfs/dbraw/zinc/58/62/97/355586297.db2.gz DRPQBYSLSHSFGJ-UHFFFAOYSA-N 2 2 283.332 -0.162 20 5 CBBDLP [NH2+]=C(NCCCC[NH3+])Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001157093454 815403835 /nfs/dbraw/zinc/40/38/35/815403835.db2.gz BCDAUYHZNZQNQK-UHFFFAOYSA-N 2 2 268.277 -0.097 20 5 CBBDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591733997 355111810 /nfs/dbraw/zinc/11/18/10/355111810.db2.gz UAEOUMYFDIOYHZ-PWSUYJOCSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591733997 355111813 /nfs/dbraw/zinc/11/18/13/355111813.db2.gz UAEOUMYFDIOYHZ-PWSUYJOCSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591733996 355112278 /nfs/dbraw/zinc/11/22/78/355112278.db2.gz UAEOUMYFDIOYHZ-JQWIXIFHSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591733996 355112282 /nfs/dbraw/zinc/11/22/82/355112282.db2.gz UAEOUMYFDIOYHZ-JQWIXIFHSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000369276902 420155773 /nfs/dbraw/zinc/15/57/73/420155773.db2.gz JBKFULFDPMWCHH-WCFLWFBJSA-N 2 2 296.371 -0.064 20 5 CBBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000369276902 420155780 /nfs/dbraw/zinc/15/57/80/420155780.db2.gz JBKFULFDPMWCHH-WCFLWFBJSA-N 2 2 296.371 -0.064 20 5 CBBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855417451 583638909 /nfs/dbraw/zinc/63/89/09/583638909.db2.gz GYWDNRQFIDKHAB-GHMZBOCLSA-N 2 2 272.349 -0.349 20 5 CBBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855417451 583638911 /nfs/dbraw/zinc/63/89/11/583638911.db2.gz GYWDNRQFIDKHAB-GHMZBOCLSA-N 2 2 272.349 -0.349 20 5 CBBDLP CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000923425421 658274686 /nfs/dbraw/zinc/27/46/86/658274686.db2.gz MYYRACBLOVWVSI-CMPLNLGQSA-N 2 2 283.332 -0.164 20 5 CBBDLP CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000923425421 658274697 /nfs/dbraw/zinc/27/46/97/658274697.db2.gz MYYRACBLOVWVSI-CMPLNLGQSA-N 2 2 283.332 -0.164 20 5 CBBDLP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]CC[N+](=O)[O-])C2 ZINC001262489705 826694931 /nfs/dbraw/zinc/69/49/31/826694931.db2.gz GPYUPMXBTAIIKY-SNVBAGLBSA-N 2 2 268.317 -0.093 20 5 CBBDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000300688882 352734734 /nfs/dbraw/zinc/73/47/34/352734734.db2.gz AKWLXJBBBVOYCL-JQWIXIFHSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000300688882 352734738 /nfs/dbraw/zinc/73/47/38/352734738.db2.gz AKWLXJBBBVOYCL-JQWIXIFHSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000300688883 352734837 /nfs/dbraw/zinc/73/48/37/352734837.db2.gz AKWLXJBBBVOYCL-PWSUYJOCSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000300688883 352734839 /nfs/dbraw/zinc/73/48/39/352734839.db2.gz AKWLXJBBBVOYCL-PWSUYJOCSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[NH2+]CCOCC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000603430850 355715140 /nfs/dbraw/zinc/71/51/40/355715140.db2.gz VIZVFRIAIGXDPW-UHFFFAOYSA-N 2 2 271.321 -0.004 20 5 CBBDLP C[NH2+]CCOCC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000603430850 355715143 /nfs/dbraw/zinc/71/51/43/355715143.db2.gz VIZVFRIAIGXDPW-UHFFFAOYSA-N 2 2 271.321 -0.004 20 5 CBBDLP Cn1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])n1 ZINC000603428660 355715464 /nfs/dbraw/zinc/71/54/64/355715464.db2.gz LATYLGZUXGRLKR-GFCCVEGCSA-N 2 2 294.359 -0.192 20 5 CBBDLP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000611185730 355796773 /nfs/dbraw/zinc/79/67/73/355796773.db2.gz VVBXUHYJWPPJDA-QWRGUYRKSA-N 2 2 278.312 -0.092 20 5 CBBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000839679466 583157823 /nfs/dbraw/zinc/15/78/23/583157823.db2.gz JBKFULFDPMWCHH-RAIGVLPGSA-N 2 2 296.371 -0.064 20 5 CBBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000839679466 583157825 /nfs/dbraw/zinc/15/78/25/583157825.db2.gz JBKFULFDPMWCHH-RAIGVLPGSA-N 2 2 296.371 -0.064 20 5 CBBDLP O=[N+]([O-])CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000930165778 659231200 /nfs/dbraw/zinc/23/12/00/659231200.db2.gz AKJMEKRQCHLJGP-UHFFFAOYSA-N 2 2 273.333 -0.578 20 5 CBBDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000931279877 659424215 /nfs/dbraw/zinc/42/42/15/659424215.db2.gz RLGCEEPHFMHJEP-NDBYEHHHSA-N 2 2 295.343 -0.356 20 5 CBBDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000931279877 659424228 /nfs/dbraw/zinc/42/42/28/659424228.db2.gz RLGCEEPHFMHJEP-NDBYEHHHSA-N 2 2 295.343 -0.356 20 5 CBBDLP C[NH+](C)/C=C/c1cc(-n2nnnc2C[NH3+])ncc1[N+](=O)[O-] ZINC001158076450 815501518 /nfs/dbraw/zinc/50/15/18/815501518.db2.gz ARRQTGMUIHCESJ-ONEGZZNKSA-N 2 2 290.287 -0.044 20 5 CBBDLP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000611185728 355796724 /nfs/dbraw/zinc/79/67/24/355796724.db2.gz VVBXUHYJWPPJDA-GHMZBOCLSA-N 2 2 278.312 -0.092 20 5 CBBDLP Nc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-] ZINC001158206525 815513816 /nfs/dbraw/zinc/51/38/16/815513816.db2.gz SYOBCKXGPSFHJL-SSDOTTSWSA-N 2 2 278.272 -0.380 20 5 CBBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc([N+](=O)[O-])cn1 ZINC001169075402 820205600 /nfs/dbraw/zinc/20/56/00/820205600.db2.gz RBKMOUDZSAFALJ-SSDOTTSWSA-N 2 2 264.245 -0.567 20 5 CBBDLP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]CC[N+](=O)[O-])C2 ZINC001262489704 826694741 /nfs/dbraw/zinc/69/47/41/826694741.db2.gz GPYUPMXBTAIIKY-JTQLQIEISA-N 2 2 268.317 -0.093 20 5 CBBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563101643 354696760 /nfs/dbraw/zinc/69/67/60/354696760.db2.gz KEQTVOSKDVQDGS-SNVBAGLBSA-N 2 2 296.331 -0.799 20 5 CBBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563101643 354696763 /nfs/dbraw/zinc/69/67/63/354696763.db2.gz KEQTVOSKDVQDGS-SNVBAGLBSA-N 2 2 296.331 -0.799 20 5 CBBDLP C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)N1CC[NH2+]CC1 ZINC000430630866 208168098 /nfs/dbraw/zinc/16/80/98/208168098.db2.gz STAISGNTACHYOC-UHFFFAOYSA-N 2 2 296.331 -0.845 20 5 CBBDLP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)N1CC[NH2+]CC1 ZINC000430630866 208168105 /nfs/dbraw/zinc/16/81/05/208168105.db2.gz STAISGNTACHYOC-UHFFFAOYSA-N 2 2 296.331 -0.845 20 5 CBBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000369276899 420154199 /nfs/dbraw/zinc/15/41/99/420154199.db2.gz JBKFULFDPMWCHH-CYZMBNFOSA-N 2 2 296.371 -0.064 20 5 CBBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000369276899 420154212 /nfs/dbraw/zinc/15/42/12/420154212.db2.gz JBKFULFDPMWCHH-CYZMBNFOSA-N 2 2 296.371 -0.064 20 5 CBBDLP O=[N+]([O-])CC[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000905122691 656340122 /nfs/dbraw/zinc/34/01/22/656340122.db2.gz TZMVFVIBIOZKFR-GFCCVEGCSA-N 2 2 272.349 -0.741 20 5 CBBDLP COc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1[N+](=O)[O-] ZINC001158203443 815512766 /nfs/dbraw/zinc/51/27/66/815512766.db2.gz MVMIXAGAXSKGOR-SSDOTTSWSA-N 2 2 294.271 -0.559 20 5 CBBDLP [NH3+]CCON=c1nc[nH]c(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001164423660 819913355 /nfs/dbraw/zinc/91/33/55/819913355.db2.gz IKLSAXOQVQIBDW-UHFFFAOYSA-N 2 2 254.250 -0.626 20 5 CBBDLP C[N+](C)(C)C[C@H](O)CC(=O)OCCn1cc[nH+]c1 ZINC001222135575 825202745 /nfs/dbraw/zinc/20/27/45/825202745.db2.gz ZZVPOXCFAITVAE-LLVKDONJSA-N 2 2 256.326 -0.117 20 5 CBBDLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702585 354878843 /nfs/dbraw/zinc/87/88/43/354878843.db2.gz NMXGHLKRVDNQGH-MWLCHTKSSA-N 2 2 294.315 -0.965 20 5 CBBDLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702585 354878845 /nfs/dbraw/zinc/87/88/45/354878845.db2.gz NMXGHLKRVDNQGH-MWLCHTKSSA-N 2 2 294.315 -0.965 20 5 CBBDLP [NH3+]CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO ZINC000595903635 355316862 /nfs/dbraw/zinc/31/68/62/355316862.db2.gz ZCVPNMBVGQAMLK-CYBMUJFWSA-N 2 2 283.328 -0.249 20 5 CBBDLP [NH3+]CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO ZINC000595903635 355316865 /nfs/dbraw/zinc/31/68/65/355316865.db2.gz ZCVPNMBVGQAMLK-CYBMUJFWSA-N 2 2 283.328 -0.249 20 5 CBBDLP [NH3+]CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)CO ZINC000595903636 355316886 /nfs/dbraw/zinc/31/68/86/355316886.db2.gz ZCVPNMBVGQAMLK-ZDUSSCGKSA-N 2 2 283.328 -0.249 20 5 CBBDLP [NH3+]CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)CO ZINC000595903636 355316888 /nfs/dbraw/zinc/31/68/88/355316888.db2.gz ZCVPNMBVGQAMLK-ZDUSSCGKSA-N 2 2 283.328 -0.249 20 5 CBBDLP O=[N+]([O-])c1ccn(CC[NH+]2CCC([NH2+]CCO)CC2)n1 ZINC000601327944 355586196 /nfs/dbraw/zinc/58/61/96/355586196.db2.gz AEVIHYUDNIUJNK-UHFFFAOYSA-N 2 2 283.332 -0.162 20 5 CBBDLP Cn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602495846 355654013 /nfs/dbraw/zinc/65/40/13/355654013.db2.gz XXTQEJHTVVXWOV-RKDXNWHRSA-N 2 2 251.290 -0.021 20 5 CBBDLP C[NH+](C)CCC[N@H+](C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000596425152 420488337 /nfs/dbraw/zinc/48/83/37/420488337.db2.gz NCQXMKIQOSPROP-UHFFFAOYSA-N 2 2 297.363 -0.316 20 5 CBBDLP C[NH+](C)CCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000596425152 420488339 /nfs/dbraw/zinc/48/83/39/420488339.db2.gz NCQXMKIQOSPROP-UHFFFAOYSA-N 2 2 297.363 -0.316 20 5 CBBDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC[N+](=O)[O-] ZINC000905088716 656337019 /nfs/dbraw/zinc/33/70/19/656337019.db2.gz KJSPOPYOVWJQSP-NSHDSACASA-N 2 2 272.349 -0.205 20 5 CBBDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC[N+](=O)[O-] ZINC000905088716 656337021 /nfs/dbraw/zinc/33/70/21/656337021.db2.gz KJSPOPYOVWJQSP-NSHDSACASA-N 2 2 272.349 -0.205 20 5 CBBDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CC[N+](=O)[O-] ZINC000905088711 656337114 /nfs/dbraw/zinc/33/71/14/656337114.db2.gz KJSPOPYOVWJQSP-LLVKDONJSA-N 2 2 272.349 -0.205 20 5 CBBDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CC[N+](=O)[O-] ZINC000905088711 656337118 /nfs/dbraw/zinc/33/71/18/656337118.db2.gz KJSPOPYOVWJQSP-LLVKDONJSA-N 2 2 272.349 -0.205 20 5 CBBDLP O=[N+]([O-])CC[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447320 656357470 /nfs/dbraw/zinc/35/74/70/656357470.db2.gz QCSCXHNYRDVBJO-CYBMUJFWSA-N 2 2 286.376 -0.351 20 5 CBBDLP CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000923425424 658273923 /nfs/dbraw/zinc/27/39/23/658273923.db2.gz MYYRACBLOVWVSI-ZYHUDNBSSA-N 2 2 283.332 -0.164 20 5 CBBDLP CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000923425424 658273939 /nfs/dbraw/zinc/27/39/39/658273939.db2.gz MYYRACBLOVWVSI-ZYHUDNBSSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[NH+]1CCN(C(=[NH2+])Nc2c[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001168737413 820172248 /nfs/dbraw/zinc/17/22/48/820172248.db2.gz VJUDWPCUBYIDKU-UHFFFAOYSA-N 2 2 280.288 -0.178 20 5 CBBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccnc1[N+](=O)[O-] ZINC001169067311 820203729 /nfs/dbraw/zinc/20/37/29/820203729.db2.gz POOSWIKYDXVBRI-SSDOTTSWSA-N 2 2 264.245 -0.567 20 5 CBBDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000226049877 352251423 /nfs/dbraw/zinc/25/14/23/352251423.db2.gz AKWLXJBBBVOYCL-CMPLNLGQSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000226049877 352251425 /nfs/dbraw/zinc/25/14/25/352251425.db2.gz AKWLXJBBBVOYCL-CMPLNLGQSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000226049861 352251444 /nfs/dbraw/zinc/25/14/44/352251444.db2.gz AKWLXJBBBVOYCL-ZYHUDNBSSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000226049861 352251447 /nfs/dbraw/zinc/25/14/47/352251447.db2.gz AKWLXJBBBVOYCL-ZYHUDNBSSA-N 2 2 283.332 -0.164 20 5 CBBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563101638 354696895 /nfs/dbraw/zinc/69/68/95/354696895.db2.gz KEQTVOSKDVQDGS-JTQLQIEISA-N 2 2 296.331 -0.799 20 5 CBBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563101638 354696897 /nfs/dbraw/zinc/69/68/97/354696897.db2.gz KEQTVOSKDVQDGS-JTQLQIEISA-N 2 2 296.331 -0.799 20 5 CBBDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591733995 355112128 /nfs/dbraw/zinc/11/21/28/355112128.db2.gz UAEOUMYFDIOYHZ-CMPLNLGQSA-N 2 2 283.332 -0.164 20 5 CBBDLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591733995 355112130 /nfs/dbraw/zinc/11/21/30/355112130.db2.gz UAEOUMYFDIOYHZ-CMPLNLGQSA-N 2 2 283.332 -0.164 20 5 CBBDLP [NH3+]C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000592983499 355188906 /nfs/dbraw/zinc/18/89/06/355188906.db2.gz WCQDGCNPLBZSHH-LLVKDONJSA-N 2 2 269.305 -0.159 20 5 CBBDLP [NH3+]C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000592983499 355188908 /nfs/dbraw/zinc/18/89/08/355188908.db2.gz WCQDGCNPLBZSHH-LLVKDONJSA-N 2 2 269.305 -0.159 20 5 CBBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000597989291 355426008 /nfs/dbraw/zinc/42/60/08/355426008.db2.gz BVLUJTAXOZGJDQ-UHFFFAOYSA-N 2 2 298.347 -0.069 20 5 CBBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000597989291 355426010 /nfs/dbraw/zinc/42/60/10/355426010.db2.gz BVLUJTAXOZGJDQ-UHFFFAOYSA-N 2 2 298.347 -0.069 20 5 CBBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597989291 355426016 /nfs/dbraw/zinc/42/60/16/355426016.db2.gz BVLUJTAXOZGJDQ-UHFFFAOYSA-N 2 2 298.347 -0.069 20 5 CBBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597989291 355426017 /nfs/dbraw/zinc/42/60/17/355426017.db2.gz BVLUJTAXOZGJDQ-UHFFFAOYSA-N 2 2 298.347 -0.069 20 5 CBBDLP Cn1cc(C[N@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000603430587 355715111 /nfs/dbraw/zinc/71/51/11/355715111.db2.gz TXMIGKXKPKUFRZ-UHFFFAOYSA-N 2 2 282.348 -0.335 20 5 CBBDLP Cn1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000603430587 355715114 /nfs/dbraw/zinc/71/51/14/355715114.db2.gz TXMIGKXKPKUFRZ-UHFFFAOYSA-N 2 2 282.348 -0.335 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903869293 584902786 /nfs/dbraw/zinc/90/27/86/584902786.db2.gz GKYCOCVAQPOIDN-OLZOCXBDSA-N 2 2 295.343 -0.020 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903869293 584902788 /nfs/dbraw/zinc/90/27/88/584902788.db2.gz GKYCOCVAQPOIDN-OLZOCXBDSA-N 2 2 295.343 -0.020 20 5 CBBDLP CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000923425423 658273520 /nfs/dbraw/zinc/27/35/20/658273520.db2.gz MYYRACBLOVWVSI-PWSUYJOCSA-N 2 2 283.332 -0.164 20 5 CBBDLP CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000923425423 658273527 /nfs/dbraw/zinc/27/35/27/658273527.db2.gz MYYRACBLOVWVSI-PWSUYJOCSA-N 2 2 283.332 -0.164 20 5 CBBDLP Nc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1[N+](=O)[O-] ZINC001158206516 815513729 /nfs/dbraw/zinc/51/37/29/815513729.db2.gz STNZTFVAWOODFW-SSDOTTSWSA-N 2 2 278.272 -0.380 20 5 CBBDLP O=C(C[NH2+]CC[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC001335454863 888538717 /nfs/dbraw/zinc/53/87/17/888538717.db2.gz ZJESROOSMLYXBR-UHFFFAOYSA-N 2 2 258.322 -0.545 20 5 CBBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000597989850 355425499 /nfs/dbraw/zinc/42/54/99/355425499.db2.gz KPGCSNWFMGZOJV-UHFFFAOYSA-N 2 2 298.347 -0.069 20 5 CBBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000597989850 355425502 /nfs/dbraw/zinc/42/55/02/355425502.db2.gz KPGCSNWFMGZOJV-UHFFFAOYSA-N 2 2 298.347 -0.069 20 5 CBBDLP Cn1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])n1 ZINC000603428661 355715334 /nfs/dbraw/zinc/71/53/34/355715334.db2.gz LATYLGZUXGRLKR-LBPRGKRZSA-N 2 2 294.359 -0.192 20 5 CBBDLP C[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1 ZINC000581883045 336159003 /nfs/dbraw/zinc/15/90/03/336159003.db2.gz FGDRRHVKTCMTML-JTQLQIEISA-N 2 2 296.331 -0.717 20 5 CBBDLP C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1 ZINC000581883045 336159004 /nfs/dbraw/zinc/15/90/04/336159004.db2.gz FGDRRHVKTCMTML-JTQLQIEISA-N 2 2 296.331 -0.717 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903869295 584902794 /nfs/dbraw/zinc/90/27/94/584902794.db2.gz GKYCOCVAQPOIDN-STQMWFEESA-N 2 2 295.343 -0.020 20 5 CBBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903869295 584902796 /nfs/dbraw/zinc/90/27/96/584902796.db2.gz GKYCOCVAQPOIDN-STQMWFEESA-N 2 2 295.343 -0.020 20 5 CBBDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905105486 656339051 /nfs/dbraw/zinc/33/90/51/656339051.db2.gz KNXQWWXXEHREFH-UHFFFAOYSA-N 2 2 272.349 -0.205 20 5 CBBDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000931279878 659425163 /nfs/dbraw/zinc/42/51/63/659425163.db2.gz RLGCEEPHFMHJEP-WUHRBBMRSA-N 2 2 295.343 -0.356 20 5 CBBDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000931279878 659425174 /nfs/dbraw/zinc/42/51/74/659425174.db2.gz RLGCEEPHFMHJEP-WUHRBBMRSA-N 2 2 295.343 -0.356 20 5 CBBDLP Nc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001169072020 820205689 /nfs/dbraw/zinc/20/56/89/820205689.db2.gz JTINVCRCCOJQOB-SSDOTTSWSA-N 2 2 278.272 -0.380 20 5 CBBDLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702584 354877918 /nfs/dbraw/zinc/87/79/18/354877918.db2.gz NMXGHLKRVDNQGH-KOLCDFICSA-N 2 2 294.315 -0.965 20 5 CBBDLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702584 354877919 /nfs/dbraw/zinc/87/79/19/354877919.db2.gz NMXGHLKRVDNQGH-KOLCDFICSA-N 2 2 294.315 -0.965 20 5 CBBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])C2)CC1 ZINC000369276900 420154451 /nfs/dbraw/zinc/15/44/51/420154451.db2.gz JBKFULFDPMWCHH-DRZSPHRISA-N 2 2 296.371 -0.064 20 5 CBBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])C2)CC1 ZINC000369276900 420154455 /nfs/dbraw/zinc/15/44/55/420154455.db2.gz JBKFULFDPMWCHH-DRZSPHRISA-N 2 2 296.371 -0.064 20 5 CBBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C2)CC1 ZINC000369276901 420155884 /nfs/dbraw/zinc/15/58/84/420155884.db2.gz JBKFULFDPMWCHH-UHTWSYAYSA-N 2 2 296.371 -0.064 20 5 CBBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C2)CC1 ZINC000369276901 420155888 /nfs/dbraw/zinc/15/58/88/420155888.db2.gz JBKFULFDPMWCHH-UHTWSYAYSA-N 2 2 296.371 -0.064 20 5 CBBDLP O=[N+]([O-])CC[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447322 656357699 /nfs/dbraw/zinc/35/76/99/656357699.db2.gz QCSCXHNYRDVBJO-ZDUSSCGKSA-N 2 2 286.376 -0.351 20 5 CBBDLP