smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(=O)[O-])C1 ZINC000706471212 977336593 /nfs/dbraw/zinc/33/65/93/977336593.db2.gz JMYCSSQPZGCHRL-ZYHUDNBSSA-N 1 2 276.333 -1.553 10 0 CAAELO COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(=O)[O-])C1 ZINC000706471212 977336598 /nfs/dbraw/zinc/33/65/98/977336598.db2.gz JMYCSSQPZGCHRL-ZYHUDNBSSA-N 1 2 276.333 -1.553 10 0 CAAELO COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC000706471212 977336603 /nfs/dbraw/zinc/33/66/03/977336603.db2.gz JMYCSSQPZGCHRL-ZYHUDNBSSA-N 1 2 276.333 -1.553 10 0 CAAELO COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC000706471212 977336610 /nfs/dbraw/zinc/33/66/10/977336610.db2.gz JMYCSSQPZGCHRL-ZYHUDNBSSA-N 1 2 276.333 -1.553 10 0 CAAELO COCCCNC(=O)CN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000088371107 230162681 /nfs/dbraw/zinc/16/26/81/230162681.db2.gz CZJIROHSRKZMDU-JTQLQIEISA-N 1 2 273.333 -1.414 10 0 CAAELO CCS(=O)(=O)NCCN1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000130840894 230174915 /nfs/dbraw/zinc/17/49/15/230174915.db2.gz IJCAQAUAUXLJRS-GHMZBOCLSA-N 1 2 277.390 -1.060 10 0 CAAELO CCS(=O)(=O)NCCN1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000130840894 230174919 /nfs/dbraw/zinc/17/49/19/230174919.db2.gz IJCAQAUAUXLJRS-GHMZBOCLSA-N 1 2 277.390 -1.060 10 0 CAAELO CCS(=O)(=O)NCC[N@@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000130840894 230174925 /nfs/dbraw/zinc/17/49/25/230174925.db2.gz IJCAQAUAUXLJRS-GHMZBOCLSA-N 1 2 277.390 -1.060 10 0 CAAELO CCS(=O)(=O)NCC[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000130840894 230174926 /nfs/dbraw/zinc/17/49/26/230174926.db2.gz IJCAQAUAUXLJRS-GHMZBOCLSA-N 1 2 277.390 -1.060 10 0 CAAELO Cn1c(=O)cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)n(C)c1=O ZINC000444786240 230339129 /nfs/dbraw/zinc/33/91/29/230339129.db2.gz SRLSWSSAIPPRLR-SCZZXKLOSA-N 1 2 271.292 -1.011 10 0 CAAELO Cn1c(=O)cc(C[N@H+]2C[C@H](F)C[C@H]2CO)n(C)c1=O ZINC000444786240 230339136 /nfs/dbraw/zinc/33/91/36/230339136.db2.gz SRLSWSSAIPPRLR-SCZZXKLOSA-N 1 2 271.292 -1.011 10 0 CAAELO CC[C@H](NC(=O)[C@@H]1COCC[NH2+]1)C(=O)N1CCOCC1 ZINC000262618337 529544045 /nfs/dbraw/zinc/54/40/45/529544045.db2.gz DZYMXPWVMHZGND-QWRGUYRKSA-N 1 2 285.344 -1.272 10 0 CAAELO CC[C@@H](NC(=O)[C@H]1COCC[NH2+]1)C(=O)N1CCOCC1 ZINC000262618335 529659653 /nfs/dbraw/zinc/65/96/53/529659653.db2.gz DZYMXPWVMHZGND-GHMZBOCLSA-N 1 2 285.344 -1.272 10 0 CAAELO NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000040487061 571763951 /nfs/dbraw/zinc/76/39/51/571763951.db2.gz FFMIYIMKQIMDPK-RQJHMYQMSA-N 1 2 269.261 -2.276 10 0 endogenous,in-man CAAELO NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000040487061 571763955 /nfs/dbraw/zinc/76/39/55/571763955.db2.gz FFMIYIMKQIMDPK-RQJHMYQMSA-N 1 2 269.261 -2.276 10 0 endogenous,in-man CAAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCNC(=O)CC2)C1 ZINC000105279227 529783170 /nfs/dbraw/zinc/78/31/70/529783170.db2.gz BDVRRLWQFLTCFO-JTQLQIEISA-N 1 2 270.333 -1.152 10 0 CAAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCNC(=O)CC2)C1 ZINC000105279227 529783171 /nfs/dbraw/zinc/78/31/71/529783171.db2.gz BDVRRLWQFLTCFO-JTQLQIEISA-N 1 2 270.333 -1.152 10 0 CAAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCNC(=O)CC2)C1 ZINC000105279223 529789166 /nfs/dbraw/zinc/78/91/66/529789166.db2.gz BDVRRLWQFLTCFO-SNVBAGLBSA-N 1 2 270.333 -1.152 10 0 CAAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCNC(=O)CC2)C1 ZINC000105279223 529789167 /nfs/dbraw/zinc/78/91/67/529789167.db2.gz BDVRRLWQFLTCFO-SNVBAGLBSA-N 1 2 270.333 -1.152 10 0 CAAELO C[N@@H+]1CCO[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@@H]21 ZINC000329977177 529790460 /nfs/dbraw/zinc/79/04/60/529790460.db2.gz ZJOKPXOELSYDDX-QWRGUYRKSA-N 1 2 278.312 -1.215 10 0 CAAELO C[N@H+]1CCO[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@@H]21 ZINC000329977177 529790462 /nfs/dbraw/zinc/79/04/62/529790462.db2.gz ZJOKPXOELSYDDX-QWRGUYRKSA-N 1 2 278.312 -1.215 10 0 CAAELO C[N@@H+]1CCO[C@H]2CN(CCNS(C)(=O)=O)C[C@H]21 ZINC000352066565 529790938 /nfs/dbraw/zinc/79/09/38/529790938.db2.gz ABPSVQOHUBKEBP-ZJUUUORDSA-N 1 2 263.363 -1.450 10 0 CAAELO C[N@H+]1CCO[C@H]2CN(CCNS(C)(=O)=O)C[C@H]21 ZINC000352066565 529790940 /nfs/dbraw/zinc/79/09/40/529790940.db2.gz ABPSVQOHUBKEBP-ZJUUUORDSA-N 1 2 263.363 -1.450 10 0 CAAELO CN1CCO[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC000352066565 529790941 /nfs/dbraw/zinc/79/09/41/529790941.db2.gz ABPSVQOHUBKEBP-ZJUUUORDSA-N 1 2 263.363 -1.450 10 0 CAAELO CN1CCO[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC000352066565 529790943 /nfs/dbraw/zinc/79/09/43/529790943.db2.gz ABPSVQOHUBKEBP-ZJUUUORDSA-N 1 2 263.363 -1.450 10 0 CAAELO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000170928561 529924338 /nfs/dbraw/zinc/92/43/38/529924338.db2.gz GQAZONUPIJBPIN-WDEREUQCSA-N 1 2 296.371 -1.079 10 0 CAAELO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000170928561 529924340 /nfs/dbraw/zinc/92/43/40/529924340.db2.gz GQAZONUPIJBPIN-WDEREUQCSA-N 1 2 296.371 -1.079 10 0 CAAELO C[N@@H+]1CCO[C@H]2CN(CCNS(C)(=O)=O)C[C@@H]21 ZINC000130953097 283036169 /nfs/dbraw/zinc/03/61/69/283036169.db2.gz ABPSVQOHUBKEBP-UWVGGRQHSA-N 1 2 263.363 -1.450 10 0 CAAELO C[N@H+]1CCO[C@H]2CN(CCNS(C)(=O)=O)C[C@@H]21 ZINC000130953097 283036170 /nfs/dbraw/zinc/03/61/70/283036170.db2.gz ABPSVQOHUBKEBP-UWVGGRQHSA-N 1 2 263.363 -1.450 10 0 CAAELO CN1CCO[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]21 ZINC000130953097 283036171 /nfs/dbraw/zinc/03/61/71/283036171.db2.gz ABPSVQOHUBKEBP-UWVGGRQHSA-N 1 2 263.363 -1.450 10 0 CAAELO CN1CCO[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]21 ZINC000130953097 283036172 /nfs/dbraw/zinc/03/61/72/283036172.db2.gz ABPSVQOHUBKEBP-UWVGGRQHSA-N 1 2 263.363 -1.450 10 0 CAAELO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000407960315 372790350 /nfs/dbraw/zinc/79/03/50/372790350.db2.gz XLTBVWMCLZGNTM-HTQZYQBOSA-N 1 2 254.290 -1.348 10 0 CAAELO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000407960315 372790358 /nfs/dbraw/zinc/79/03/58/372790358.db2.gz XLTBVWMCLZGNTM-HTQZYQBOSA-N 1 2 254.290 -1.348 10 0 CAAELO C[C@@H]1[C@](C)([NH3+])[N+]([O-])=C2CCc3c(no[n+]3[O-])[C@@]21O ZINC000019327241 372797716 /nfs/dbraw/zinc/79/77/16/372797716.db2.gz QLUCCJIGPHMXHF-PDFZIDOMSA-N 1 2 254.246 -1.282 10 0 CAAELO COC(=[NH2+])CS[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000143741751 372805694 /nfs/dbraw/zinc/80/56/94/372805694.db2.gz QMZQMASPATYOGL-GDJKBKKHSA-N 1 2 267.303 -1.857 10 0 CAAELO C[C@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H](C(N)=O)O1 ZINC000625736213 372871024 /nfs/dbraw/zinc/87/10/24/372871024.db2.gz XDTCTADOMGJRQQ-VHSXEESVSA-N 1 2 271.317 -1.580 10 0 CAAELO C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H](C(N)=O)O1 ZINC000625736213 372871030 /nfs/dbraw/zinc/87/10/30/372871030.db2.gz XDTCTADOMGJRQQ-VHSXEESVSA-N 1 2 271.317 -1.580 10 0 CAAELO C[C@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H](C(N)=O)O1 ZINC000625736212 372871705 /nfs/dbraw/zinc/87/17/05/372871705.db2.gz XDTCTADOMGJRQQ-UWVGGRQHSA-N 1 2 271.317 -1.580 10 0 CAAELO C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H](C(N)=O)O1 ZINC000625736212 372871713 /nfs/dbraw/zinc/87/17/13/372871713.db2.gz XDTCTADOMGJRQQ-UWVGGRQHSA-N 1 2 271.317 -1.580 10 0 CAAELO CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000408295739 372934245 /nfs/dbraw/zinc/93/42/45/372934245.db2.gz WJXPMHQEMXEXTF-ZJUUUORDSA-N 1 2 270.333 -1.153 10 0 CAAELO CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000408295739 372934256 /nfs/dbraw/zinc/93/42/56/372934256.db2.gz WJXPMHQEMXEXTF-ZJUUUORDSA-N 1 2 270.333 -1.153 10 0 CAAELO CCNC(=O)NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000408295739 372934264 /nfs/dbraw/zinc/93/42/64/372934264.db2.gz WJXPMHQEMXEXTF-ZJUUUORDSA-N 1 2 270.333 -1.153 10 0 CAAELO CCNC(=O)NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000408295739 372934267 /nfs/dbraw/zinc/93/42/67/372934267.db2.gz WJXPMHQEMXEXTF-ZJUUUORDSA-N 1 2 270.333 -1.153 10 0 CAAELO CC(=O)N1CCC[C@@](O)(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000332768708 373007644 /nfs/dbraw/zinc/00/76/44/373007644.db2.gz DKARMEJUIFAFQF-JSGCOSHPSA-N 1 2 299.371 -1.193 10 0 CAAELO CC(=O)N1CCC[C@@](O)(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000332768708 373007653 /nfs/dbraw/zinc/00/76/53/373007653.db2.gz DKARMEJUIFAFQF-JSGCOSHPSA-N 1 2 299.371 -1.193 10 0 CAAELO CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@@H]1CCNC1=O ZINC000332757395 373008691 /nfs/dbraw/zinc/00/86/91/373008691.db2.gz UGIWSPZBGVGWHM-VHSXEESVSA-N 1 2 270.333 -1.153 10 0 CAAELO CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCNC1=O ZINC000332757395 373008696 /nfs/dbraw/zinc/00/86/96/373008696.db2.gz UGIWSPZBGVGWHM-VHSXEESVSA-N 1 2 270.333 -1.153 10 0 CAAELO C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000365264307 372988597 /nfs/dbraw/zinc/98/85/97/372988597.db2.gz JJYBDKYBKOUMGT-NXEZZACHSA-N 1 2 293.389 -1.287 10 0 CAAELO C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000365264307 372988602 /nfs/dbraw/zinc/98/86/02/372988602.db2.gz JJYBDKYBKOUMGT-NXEZZACHSA-N 1 2 293.389 -1.287 10 0 CAAELO OC[C@@H]1O[C@H](n2c[nH+]c3c2NC=NC[C@@H]3O)C[C@@H]1O ZINC000014649463 373025096 /nfs/dbraw/zinc/02/50/96/373025096.db2.gz FPVKHBSQESCIEP-JBDRJPRFSA-N 1 2 268.273 -1.180 10 0 CAAELO [NH3+]C=CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000102266507 373034059 /nfs/dbraw/zinc/03/40/59/373034059.db2.gz PHHNSDQQIXGORJ-GOIXXYQUSA-N 1 2 283.284 -1.808 10 0 CAAELO NC(=O)NC(=O)CC[NH+]1CC(NC(=O)C2CC2)C1 ZINC000187976350 373034528 /nfs/dbraw/zinc/03/45/28/373034528.db2.gz GJKSUOVOEFJOQR-UHFFFAOYSA-N 1 2 254.290 -1.218 10 0 CAAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000189279495 373037455 /nfs/dbraw/zinc/03/74/55/373037455.db2.gz GKGFHAQKXIEJTI-MNOVXSKESA-N 1 2 296.371 -1.079 10 0 CAAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000189279495 373037465 /nfs/dbraw/zinc/03/74/65/373037465.db2.gz GKGFHAQKXIEJTI-MNOVXSKESA-N 1 2 296.371 -1.079 10 0 CAAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CNC(=O)C1 ZINC000178610074 373017290 /nfs/dbraw/zinc/01/72/90/373017290.db2.gz ASSOBRVDNBWGTL-VHSXEESVSA-N 1 2 252.318 -1.762 10 0 CAAELO COC(=[NH2+])CS[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000616590860 373216125 /nfs/dbraw/zinc/21/61/25/373216125.db2.gz QMZQMASPATYOGL-GPMKSPRZSA-N 1 2 267.303 -1.857 10 0 CAAELO COC(=[NH2+])CS[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000616590866 373217366 /nfs/dbraw/zinc/21/73/66/373217366.db2.gz QMZQMASPATYOGL-MULGLODXSA-N 1 2 267.303 -1.857 10 0 CAAELO C[C@H]1[C@@](C)([NH3+])[N+]([O-])=C2CCc3c(no[n+]3[O-])[C@]21O ZINC000020569259 373221778 /nfs/dbraw/zinc/22/17/78/373221778.db2.gz QLUCCJIGPHMXHF-URUOUCFMSA-N 1 2 254.246 -1.282 10 0 CAAELO C[C@H]1[C@](C)([NH3+])[N+]([O-])=C2CCc3c(no[n+]3[O-])[C@]21O ZINC000020569263 373222707 /nfs/dbraw/zinc/22/27/07/373222707.db2.gz QLUCCJIGPHMXHF-MPWNKIQUSA-N 1 2 254.246 -1.282 10 0 CAAELO CCNC(=S)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21 ZINC000261338471 373311095 /nfs/dbraw/zinc/31/10/95/373311095.db2.gz IAFUNYKQQFJACR-JGVFFNPUSA-N 1 2 263.388 -1.048 10 0 CAAELO NC(=O)c1ccccc1[C@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616637760 373311597 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270.333 -1.153 10 0 CAAELO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000120931156 528163542 /nfs/dbraw/zinc/16/35/42/528163542.db2.gz WJXPMHQEMXEXTF-NXEZZACHSA-N 1 2 270.333 -1.153 10 0 CAAELO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000120931156 528163546 /nfs/dbraw/zinc/16/35/46/528163546.db2.gz WJXPMHQEMXEXTF-NXEZZACHSA-N 1 2 270.333 -1.153 10 0 CAAELO CCNC(=O)NC(=O)CN1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000120931156 528163553 /nfs/dbraw/zinc/16/35/53/528163553.db2.gz WJXPMHQEMXEXTF-NXEZZACHSA-N 1 2 270.333 -1.153 10 0 CAAELO CCOC(=O)CS(=O)(=O)N=S1(=O)CC[NH2+]CC1 ZINC000725261175 545502983 /nfs/dbraw/zinc/50/29/83/545502983.db2.gz SMSMBPGTAKCREC-UHFFFAOYSA-N 1 2 284.359 -1.050 10 0 CAAELO C[C@H]1C[N@H+](C)CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000329275953 545506913 /nfs/dbraw/zinc/50/69/13/545506913.db2.gz KXUPFLMVEUUSLY-NSHDSACASA-N 1 2 289.401 -1.121 10 0 CAAELO C[C@H]1C[N@@H+](C)CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000329275953 545506920 /nfs/dbraw/zinc/50/69/20/545506920.db2.gz KXUPFLMVEUUSLY-NSHDSACASA-N 1 2 289.401 -1.121 10 0 CAAELO CN(C)C(=O)C[N@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000247992622 545509214 /nfs/dbraw/zinc/50/92/14/545509214.db2.gz LVBWTPOSJUBIKD-JTQLQIEISA-N 1 2 284.360 -1.270 10 0 CAAELO CN(C)C(=O)C[N@@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000247992622 545509227 /nfs/dbraw/zinc/50/92/27/545509227.db2.gz LVBWTPOSJUBIKD-JTQLQIEISA-N 1 2 284.360 -1.270 10 0 CAAELO CNC(=O)NCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408061925 545515986 /nfs/dbraw/zinc/51/59/86/545515986.db2.gz XPZSKPFIYXAJDQ-VHSXEESVSA-N 1 2 270.333 -1.153 10 0 CAAELO CNC(=O)NCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408061925 545515990 /nfs/dbraw/zinc/51/59/90/545515990.db2.gz XPZSKPFIYXAJDQ-VHSXEESVSA-N 1 2 270.333 -1.153 10 0 CAAELO C[C@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000247992241 545532063 /nfs/dbraw/zinc/53/20/63/545532063.db2.gz JOAYFANCHUQTNG-BDAKNGLRSA-N 1 2 268.317 -1.894 10 0 CAAELO C[C@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000247992241 545532066 /nfs/dbraw/zinc/53/20/66/545532066.db2.gz JOAYFANCHUQTNG-BDAKNGLRSA-N 1 2 268.317 -1.894 10 0 CAAELO COCCNC(=O)N1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000675056888 545557240 /nfs/dbraw/zinc/55/72/40/545557240.db2.gz RDSLGSIHCQKKJB-BDAKNGLRSA-N 1 2 277.346 -1.587 10 0 CAAELO NC(=O)C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000033995140 571749062 /nfs/dbraw/zinc/74/90/62/571749062.db2.gz WSDOHRLQDGAOGU-BQBZGAKWSA-N 1 2 269.261 -2.276 10 0 endogenous,in-man CAAELO NC(=O)C[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000050027145 571766260 /nfs/dbraw/zinc/76/62/60/571766260.db2.gz FFMIYIMKQIMDPK-NKWVEPMBSA-N 1 2 269.261 -2.276 10 0 endogenous,in-man CAAELO NC(=O)C[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000050027145 571766263 /nfs/dbraw/zinc/76/62/63/571766263.db2.gz FFMIYIMKQIMDPK-NKWVEPMBSA-N 1 2 269.261 -2.276 10 0 endogenous,in-man CAAELO NC(=O)C[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000050027764 571769007 /nfs/dbraw/zinc/76/90/07/571769007.db2.gz FFMIYIMKQIMDPK-RNFRBKRXSA-N 1 2 269.261 -2.276 10 0 endogenous,in-man CAAELO NC(=O)C[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000050027764 571769004 /nfs/dbraw/zinc/76/90/04/571769004.db2.gz FFMIYIMKQIMDPK-RNFRBKRXSA-N 1 2 269.261 -2.276 10 0 endogenous,in-man CAAELO O=S1(=O)CC[C@]2(C1)[NH2+]C[C@]1(COCCN1)CO2 ZINC000757142255 582109105 /nfs/dbraw/zinc/10/91/05/582109105.db2.gz KTMJFABDFZOEGZ-UWVGGRQHSA-N 1 2 262.331 -1.520 10 0 CAAELO O=c1c2c([nH]n1CCO)CN(C[C@]1(O)CCC[NH2+]C1)CC2 ZINC000072423611 656038856 /nfs/dbraw/zinc/03/88/56/656038856.db2.gz PLGLNUBJHSSYRT-AWEZNQCLSA-N 1 2 296.371 -1.359 10 0 CAAELO O=c1c2c([n-]n1CCO)C[N@@H+](C[C@]1(O)CCC[NH2+]C1)CC2 ZINC000072423611 656038860 /nfs/dbraw/zinc/03/88/60/656038860.db2.gz PLGLNUBJHSSYRT-AWEZNQCLSA-N 1 2 296.371 -1.359 10 0 CAAELO O=c1c2c([n-]n1CCO)C[N@H+](C[C@]1(O)CCC[NH2+]C1)CC2 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ZINC000072423610 656465224 /nfs/dbraw/zinc/46/52/24/656465224.db2.gz PLGLNUBJHSSYRT-CQSZACIVSA-N 1 2 296.371 -1.359 10 0 CAAELO C[C@@H](C(=O)NC[C@@H](O)C(F)(F)F)N1CC[NH2+]CC1=O ZINC000705761696 656775239 /nfs/dbraw/zinc/77/52/39/656775239.db2.gz LDXQCOGMWSYRAG-NKWVEPMBSA-N 1 2 283.250 -1.154 10 0 CAAELO