smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)[O-] ZINC000001574271 571680258 /nfs/dbraw/zinc/68/02/58/571680258.db2.gz CKHWEVXPLJBEOZ-DSYKOEDSSA-N -1 1 218.253 -1.080 1 0 endogenous,in-man BAAFMM O=c1cnn(CC=CC[P@@](=O)([O-])O)c(=O)[n-]1 ZINC000001647362 183008782 /nfs/dbraw/zinc/00/87/82/183008782.db2.gz ACXAVPIQKKPRPO-OWOJBTEDSA-N -1 1 247.147 -1.335 1 0 BAAFMM C[C@@H](O)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000002556663 571682921 /nfs/dbraw/zinc/68/29/21/571682921.db2.gz QOLYAJSZHIJCTO-QYNIQEEDSA-N -1 1 216.237 -1.230 1 0 endogenous,in-man BAAFMM CC(C)[C@@H](NC(=O)[C@H](N)[C@@H](C)O)C(=O)[O-] ZINC000003913406 571684211 /nfs/dbraw/zinc/68/42/11/571684211.db2.gz CKHWEVXPLJBEOZ-FSDSQADBSA-N -1 1 218.253 -1.080 1 0 endogenous,in-man BAAFMM C[C@@H](O)[C@H](O)[C@@H]1CN=c2nc(N)[n-]c(=O)c2=N1 ZINC000004228253 560197560 /nfs/dbraw/zinc/19/75/60/560197560.db2.gz ZHQJVZLJDXWFFX-IWGUZYHVSA-N -1 1 239.235 -2.396 1 0 in-vitro BAAFMM C[C@@H](O)[C@@H](O)[C@@H]1CN=c2nc(N)[n-]c(=O)c2=N1 ZINC000004228255 560197558 /nfs/dbraw/zinc/19/75/58/560197558.db2.gz ZHQJVZLJDXWFFX-ALEPSDHESA-N -1 1 239.235 -2.396 1 0 in-vitro BAAFMM C[C@@H](O)[C@@H](N)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000005273939 571688635 /nfs/dbraw/zinc/68/86/35/571688635.db2.gz GXDLGHLJTHMDII-MROZADKFSA-N -1 1 206.198 -2.744 1 0 endogenous,in-man BAAFMM C[C@@H](O)[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000005273942 571688400 /nfs/dbraw/zinc/68/84/00/571688400.db2.gz BWUHENPAEMNGQJ-JCGDXUMPSA-N -1 1 247.251 -2.471 1 0 endogenous,in-man BAAFMM OC[C@@H](O)[C@H]1O[C@H]2[N-]C(=S)O[C@@H]2[C@H]1O ZINC000005725096 183114766 /nfs/dbraw/zinc/11/47/66/183114766.db2.gz PKBVCSNCOXHULL-AIECOIEWSA-N -1 1 221.234 -1.890 1 0 BAAFMM OC[C@@H](O)[C@@H]1O[C@H]2[N-]C(=S)O[C@@H]2[C@H]1O ZINC000005725098 183114758 /nfs/dbraw/zinc/11/47/58/183114758.db2.gz PKBVCSNCOXHULL-FPRJBGLDSA-N -1 1 221.234 -1.890 1 0 BAAFMM OC[C@@H](O)[C@@H]1O[C@H]2[N-]C(=S)O[C@@H]2[C@@H]1O ZINC000013554808 183114510 /nfs/dbraw/zinc/11/45/10/183114510.db2.gz PKBVCSNCOXHULL-VFUOTHLCSA-N -1 1 221.234 -1.890 1 0 BAAFMM OC[C@@H](O)[C@H]1O[C@H]2[N-]C(=S)O[C@@H]2[C@@H]1O ZINC000013554811 183114618 /nfs/dbraw/zinc/11/46/18/183114618.db2.gz PKBVCSNCOXHULL-QZABAPFNSA-N -1 1 221.234 -1.890 1 0 BAAFMM OC[C@@H](O)[C@H]1O[C@@H]2[N-]C(=S)O[C@@H]2[C@@H]1O ZINC000015962127 183114539 /nfs/dbraw/zinc/11/45/39/183114539.db2.gz PKBVCSNCOXHULL-UKFBFLRUSA-N -1 1 221.234 -2.301 1 0 BAAFMM OC[C@H]1O[C@@H]2[N-]C(=S)O[C@@H]2[C@@H](O)[C@@H]1O ZINC000017147688 183157530 /nfs/dbraw/zinc/15/75/30/183157530.db2.gz PZFICWFDJJJRHG-DVKNGEFBSA-N -1 1 221.234 -2.301 1 0 BAAFMM O=C(C[P@](=O)([O-])O)N[C@H](CO)CCO ZINC000028898705 182006500 /nfs/dbraw/zinc/00/65/00/182006500.db2.gz CFIPPAOEPUKLSD-YFKPBYRVSA-N -1 1 227.153 -1.976 1 0 BAAFMM O=C(C[P@](=O)([O-])O)N[C@@H](CO)CCO ZINC000028898712 182005485 /nfs/dbraw/zinc/00/54/85/182005485.db2.gz CFIPPAOEPUKLSD-RXMQYKEDSA-N -1 1 227.153 -1.976 1 0 BAAFMM C[C@@H](O)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000033949586 574414142 /nfs/dbraw/zinc/41/41/42/574414142.db2.gz QOLYAJSZHIJCTO-DSYKOEDSSA-N -1 1 216.237 -1.230 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000034334767 571751845 /nfs/dbraw/zinc/75/18/45/571751845.db2.gz QOLYAJSZHIJCTO-FSDSQADBSA-N -1 1 216.237 -1.230 1 0 endogenous,in-man BAAFMM CC(=O)[C@@H](O)[C@@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000036478809 571753479 /nfs/dbraw/zinc/75/34/79/571753479.db2.gz PSNIIJBQEZDDMR-UJURSFKZSA-N -1 1 239.235 -1.492 1 0 endogenous,in-man BAAFMM C[C@@H](O)[C@H](NC(=O)[C@H](N)[C@H](C)O)C(=O)[O-] ZINC000039626638 571754739 /nfs/dbraw/zinc/75/47/39/571754739.db2.gz DSGIVWSDDRDJIO-KCDKBNATSA-N -1 1 220.225 -2.355 1 0 endogenous,in-man BAAFMM C[C@@H](O)[C@@H](N)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000039626640 571755020 /nfs/dbraw/zinc/75/50/20/571755020.db2.gz DSGIVWSDDRDJIO-KAZBKCHUSA-N -1 1 220.225 -2.355 1 0 endogenous,in-man BAAFMM NCC(=O)N[C@H]1CCC(=O)N(CC(=O)[O-])C1=O ZINC000049089442 181355192 /nfs/dbraw/zinc/35/51/92/181355192.db2.gz OAAMKOCGCZYVSQ-YFKPBYRVSA-N -1 1 243.219 -2.337 1 0 BAAFMM C[C@@H](O)[C@H](N)C(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000050027176 574414937 /nfs/dbraw/zinc/41/49/37/574414937.db2.gz BWUHENPAEMNGQJ-XAHCXIQSSA-N -1 1 247.251 -2.471 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@H](N)C(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000050027177 574414915 /nfs/dbraw/zinc/41/49/15/574414915.db2.gz DSGIVWSDDRDJIO-DPYQTVNSSA-N -1 1 220.225 -2.355 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@H](N)C(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000050027183 574414896 /nfs/dbraw/zinc/41/48/96/574414896.db2.gz UQTNIFUCMBFWEJ-KODRXGBYSA-N -1 1 233.224 -2.861 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@H](NC(=O)[C@H](N)CO)C(=O)[O-] ZINC000050027402 574415016 /nfs/dbraw/zinc/41/50/16/574415016.db2.gz LDEBVRIURYMKQS-WDCZJNDASA-N -1 1 206.198 -2.744 1 0 endogenous,in-man BAAFMM C[C@H](O)[C@@H](N)C(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000050027675 574415100 /nfs/dbraw/zinc/41/51/00/574415100.db2.gz DSGIVWSDDRDJIO-UNTFVMJOSA-N -1 1 220.225 -2.355 1 0 endogenous,in-vitro BAAFMM CC(C)[C@@H](NC(=O)[C@H](N)[C@H](C)O)C(=O)[O-] ZINC000050027687 574415072 /nfs/dbraw/zinc/41/50/72/574415072.db2.gz CKHWEVXPLJBEOZ-RRKCRQDMSA-N -1 1 218.253 -1.080 1 0 endogenous,in-vitro BAAFMM CC[C@@H](C)[C@@H](NC(=O)[C@H](N)CO)C(=O)[O-] ZINC000069485965 574415560 /nfs/dbraw/zinc/41/55/60/574415560.db2.gz BXLYSRPHVMCOPS-FSDSQADBSA-N -1 1 218.253 -1.079 1 0 endogenous,in-man BAAFMM CC[C@@H](C)[C@@H](NC(=O)[C@@H](N)CO)C(=O)[O-] ZINC000069485971 571773566 /nfs/dbraw/zinc/77/35/66/571773566.db2.gz BXLYSRPHVMCOPS-DSYKOEDSSA-N -1 1 218.253 -1.079 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](NC(=O)[C@H](N)CO)C(=O)[O-] ZINC000069485974 574415558 /nfs/dbraw/zinc/41/55/58/574415558.db2.gz LDEBVRIURYMKQS-UOWFLXDJSA-N -1 1 206.198 -2.744 1 0 endogenous,in-man BAAFMM C[C@@H](O)[C@@H](NC(=O)[C@@H](N)CO)C(=O)[O-] ZINC000069485979 571773376 /nfs/dbraw/zinc/77/33/76/571773376.db2.gz LDEBVRIURYMKQS-MROZADKFSA-N -1 1 206.198 -2.744 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](N)C(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000069485991 574415596 /nfs/dbraw/zinc/41/55/96/574415596.db2.gz UQTNIFUCMBFWEJ-ZMIZWQJLSA-N -1 1 233.224 -2.861 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000069485993 571773492 /nfs/dbraw/zinc/77/34/92/571773492.db2.gz UQTNIFUCMBFWEJ-ALEPSDHESA-N -1 1 233.224 -2.861 1 0 endogenous,in-man BAAFMM C[C@@H](O)[C@@H](N)C(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000069486008 574415600 /nfs/dbraw/zinc/41/56/00/574415600.db2.gz BWUHENPAEMNGQJ-WYDQCIBASA-N -1 1 247.251 -2.471 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](N)C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O ZINC000069486084 571774225 /nfs/dbraw/zinc/77/42/25/571774225.db2.gz DSGIVWSDDRDJIO-KVTDHHQDSA-N -1 1 220.225 -2.355 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](N)C(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000069486087 574415644 /nfs/dbraw/zinc/41/56/44/574415644.db2.gz DSGIVWSDDRDJIO-JGWLITMVSA-N -1 1 220.225 -2.355 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](N)C(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000069486090 574415640 /nfs/dbraw/zinc/41/56/40/574415640.db2.gz DSGIVWSDDRDJIO-MOJAZDJTSA-N -1 1 220.225 -2.355 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](NC(=O)[C@H](N)[C@H](C)O)C(=O)[O-] ZINC000069486093 571774046 /nfs/dbraw/zinc/77/40/46/571774046.db2.gz DSGIVWSDDRDJIO-SLPGGIOYSA-N -1 1 220.225 -2.355 1 0 endogenous,in-vitro BAAFMM C[C@H](O)[C@@H](N)C(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000069486095 574415634 /nfs/dbraw/zinc/41/56/34/574415634.db2.gz DSGIVWSDDRDJIO-AZGQCCRYSA-N -1 1 220.225 -2.355 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)[O-] ZINC000069486097 571774135 /nfs/dbraw/zinc/77/41/35/571774135.db2.gz DSGIVWSDDRDJIO-ARQDHWQXSA-N -1 1 220.225 -2.355 1 0 endogenous,in-vitro BAAFMM CC(C)[C@@H](NC(=O)[C@@H](N)[C@H](C)O)C(=O)[O-] ZINC000069486126 574415642 /nfs/dbraw/zinc/41/56/42/574415642.db2.gz CKHWEVXPLJBEOZ-LYFYHCNISA-N -1 1 218.253 -1.080 1 0 endogenous,in-vitro BAAFMM C[C@H](O)[C@H](N)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000095617793 574417028 /nfs/dbraw/zinc/41/70/28/574417028.db2.gz LARRWQRLUSYTHC-WNJXEPBRSA-N -1 1 232.236 -2.259 1 0 endogenous,in-man BAAFMM OC[C@H]1O[C@@H](c2nn[n-]n2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000096902201 183157387 /nfs/dbraw/zinc/15/73/87/183157387.db2.gz HDCGZAIJEOKMII-VFUOTHLCSA-N -1 1 232.196 -3.285 1 0 BAAFMM NC(=O)C[C@@H]([NH3+])C(=O)NC(CC(=O)[O-])C(=O)[O-] ZINC000100386015 574417450 /nfs/dbraw/zinc/41/74/50/574417450.db2.gz VUNWIHOFKVSBQX-GSVOUGTGSA-N -1 1 247.207 -1.935 1 0 endogenous,in-vitro BAAFMM NC(=O)C[C@H]([NH3+])C(=O)NC(CC(=O)[O-])C(=O)[O-] ZINC000100386017 574417429 /nfs/dbraw/zinc/41/74/29/574417429.db2.gz VUNWIHOFKVSBQX-VKHMYHEASA-N -1 1 247.207 -1.935 1 0 endogenous,in-vitro BAAFMM NC(=O)CC(NC(=O)[C@H](N)CO)C(=O)[O-] ZINC000100387950 574418071 /nfs/dbraw/zinc/41/80/71/574418071.db2.gz BYPOVZMIQMQJSO-GSVOUGTGSA-N -1 1 219.197 -2.417 1 0 endogenous,in-vitro BAAFMM NC(=O)CC(NC(=O)[C@@H](N)CO)C(=O)[O-] ZINC000100387953 574418073 /nfs/dbraw/zinc/41/80/73/574418073.db2.gz BYPOVZMIQMQJSO-VKHMYHEASA-N -1 1 219.197 -2.417 1 0 endogenous,in-vitro BAAFMM NC(=O)CCC(NC(=O)[C@H](N)CO)C(=O)[O-] ZINC000100387964 574418075 /nfs/dbraw/zinc/41/80/75/574418075.db2.gz ZYBDRXRDQPUBPI-SCSAIBSYSA-N -1 1 233.224 -2.027 1 0 endogenous,in-vitro BAAFMM NC(=O)CCC(NC(=O)[C@@H](N)CO)C(=O)[O-] ZINC000100387968 574418102 /nfs/dbraw/zinc/41/81/02/574418102.db2.gz ZYBDRXRDQPUBPI-BYPYZUCNSA-N -1 1 233.224 -2.027 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)C(NC(=O)[C@H](N)CO)C(=O)[O-] ZINC000100388040 574418118 /nfs/dbraw/zinc/41/81/18/574418118.db2.gz SUMUCFYAYPAHLN-QWWZWVQMSA-N -1 1 206.198 -1.912 1 0 endogenous,in-vitro BAAFMM C[C@H](O)C(NC(=O)[C@H](N)CO)C(=O)[O-] ZINC000100388046 574418100 /nfs/dbraw/zinc/41/81/00/574418100.db2.gz SUMUCFYAYPAHLN-IUYQGCFVSA-N -1 1 206.198 -1.912 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)C(NC(=O)[C@@H](N)CO)C(=O)[O-] ZINC000100388049 574418098 /nfs/dbraw/zinc/41/80/98/574418098.db2.gz SUMUCFYAYPAHLN-DMTCNVIQSA-N -1 1 206.198 -1.912 1 0 endogenous,in-vitro BAAFMM C[C@H](O)C(NC(=O)[C@@H](N)CO)C(=O)[O-] ZINC000100388051 574418104 /nfs/dbraw/zinc/41/81/04/574418104.db2.gz SUMUCFYAYPAHLN-IMJSIDKUSA-N -1 1 206.198 -1.912 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](N)C(=O)NC(CC(N)=O)C(=O)[O-] ZINC000100388110 574418152 /nfs/dbraw/zinc/41/81/52/574418152.db2.gz HDHAMZYHCHKXGN-AWFVSMACSA-N -1 1 233.224 -2.029 1 0 endogenous,in-vitro BAAFMM C[C@H](O)[C@@H](N)C(=O)NC(CC(N)=O)C(=O)[O-] ZINC000100388113 574418142 /nfs/dbraw/zinc/41/81/42/574418142.db2.gz HDHAMZYHCHKXGN-BBIVZNJYSA-N -1 1 233.224 -2.029 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@H](N)C(=O)NC(CC(N)=O)C(=O)[O-] ZINC000100388118 574418176 /nfs/dbraw/zinc/41/81/76/574418176.db2.gz HDHAMZYHCHKXGN-CVYQJGLWSA-N -1 1 233.224 -2.029 1 0 endogenous,in-vitro BAAFMM C[C@H](O)[C@H](N)C(=O)NC(CC(N)=O)C(=O)[O-] ZINC000100388121 574418156 /nfs/dbraw/zinc/41/81/56/574418156.db2.gz HDHAMZYHCHKXGN-DZSWIPIPSA-N -1 1 233.224 -2.029 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](N)C(=O)NC(CCC(N)=O)C(=O)[O-] ZINC000100388164 574418174 /nfs/dbraw/zinc/41/81/74/574418174.db2.gz YLQQAGJFLBZZGU-CLZZGJSISA-N -1 1 247.251 -1.639 1 0 endogenous,in-vitro BAAFMM C[C@H](O)[C@@H](N)C(=O)NC(CCC(N)=O)C(=O)[O-] ZINC000100388167 574418162 /nfs/dbraw/zinc/41/81/62/574418162.db2.gz YLQQAGJFLBZZGU-MHTLYPKNSA-N -1 1 247.251 -1.639 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@H](N)C(=O)NC(CCC(N)=O)C(=O)[O-] ZINC000100388170 574418160 /nfs/dbraw/zinc/41/81/60/574418160.db2.gz YLQQAGJFLBZZGU-FBCQKBJTSA-N -1 1 247.251 -1.639 1 0 endogenous,in-vitro BAAFMM C[C@H](O)[C@H](N)C(=O)NC(CCC(N)=O)C(=O)[O-] ZINC000100388172 574418172 /nfs/dbraw/zinc/41/81/72/574418172.db2.gz YLQQAGJFLBZZGU-FFWSUHOLSA-N -1 1 247.251 -1.639 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](N)C(=O)NC(CO)C(=O)[O-] ZINC000100388347 574418260 /nfs/dbraw/zinc/41/82/60/574418260.db2.gz XEEKMPKCVYYSHL-NQXXGFSBSA-N -1 1 206.198 -1.912 1 0 endogenous,in-vitro BAAFMM C[C@H](O)[C@@H](N)C(=O)NC(CO)C(=O)[O-] ZINC000100388350 574418242 /nfs/dbraw/zinc/41/82/42/574418242.db2.gz XEEKMPKCVYYSHL-WVZVXSGGSA-N -1 1 206.198 -1.912 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@H](N)C(=O)NC(CO)C(=O)[O-] ZINC000100388354 574418264 /nfs/dbraw/zinc/41/82/64/574418264.db2.gz XEEKMPKCVYYSHL-WUJLRWPWSA-N -1 1 206.198 -1.912 1 0 endogenous,in-vitro BAAFMM C[C@H](O)[C@H](N)C(=O)NC(CO)C(=O)[O-] ZINC000100388357 574418250 /nfs/dbraw/zinc/41/82/50/574418250.db2.gz XEEKMPKCVYYSHL-UCORVYFPSA-N -1 1 206.198 -1.912 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)C(NC(=O)[C@H](N)[C@@H](C)O)C(=O)[O-] ZINC000100388364 574418246 /nfs/dbraw/zinc/41/82/46/574418246.db2.gz PJYPYOFDENTKPF-UOWFLXDJSA-N -1 1 220.225 -1.523 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](N)C(=O)NC(C(=O)[O-])[C@H](C)O ZINC000100388368 574418272 /nfs/dbraw/zinc/41/82/72/574418272.db2.gz PJYPYOFDENTKPF-MROZADKFSA-N -1 1 220.225 -1.523 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)C(NC(=O)[C@H](N)[C@H](C)O)C(=O)[O-] ZINC000100388370 574418266 /nfs/dbraw/zinc/41/82/66/574418266.db2.gz PJYPYOFDENTKPF-VPENINKCSA-N -1 1 220.225 -1.523 1 0 endogenous,in-vitro BAAFMM C[C@H](O)C(NC(=O)[C@H](N)[C@H](C)O)C(=O)[O-] ZINC000100388374 574418240 /nfs/dbraw/zinc/41/82/40/574418240.db2.gz PJYPYOFDENTKPF-VAYJURFESA-N -1 1 220.225 -1.523 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)C(NC(=O)[C@@H](N)[C@@H](C)O)C(=O)[O-] ZINC000100388377 574418270 /nfs/dbraw/zinc/41/82/70/574418270.db2.gz PJYPYOFDENTKPF-WDCZJNDASA-N -1 1 220.225 -1.523 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@H](N)C(=O)NC(C(=O)[O-])[C@H](C)O ZINC000100388379 574418288 /nfs/dbraw/zinc/41/82/88/574418288.db2.gz PJYPYOFDENTKPF-WISUUJSJSA-N -1 1 220.225 -1.523 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)C(NC(=O)[C@@H](N)[C@H](C)O)C(=O)[O-] ZINC000100388383 574418302 /nfs/dbraw/zinc/41/83/02/574418302.db2.gz PJYPYOFDENTKPF-LMVFSUKVSA-N -1 1 220.225 -1.523 1 0 endogenous,in-vitro BAAFMM C[C@H](O)C(NC(=O)[C@@H](N)[C@H](C)O)C(=O)[O-] ZINC000100388388 574418284 /nfs/dbraw/zinc/41/82/84/574418284.db2.gz PJYPYOFDENTKPF-YUPRTTJUSA-N -1 1 220.225 -1.523 1 0 endogenous,in-vitro BAAFMM N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000100771293 571813553 /nfs/dbraw/zinc/81/35/53/571813553.db2.gz IISAHBYOIFITKV-HCWXCVPCSA-N -1 1 218.209 -2.648 1 0 endogenous,in-vitro BAAFMM N[C@@H](CO)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000100771295 571813755 /nfs/dbraw/zinc/81/37/55/571813755.db2.gz IISAHBYOIFITKV-NGJCXOISSA-N -1 1 218.209 -2.648 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@@H](N)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000100771325 571813609 /nfs/dbraw/zinc/81/36/09/571813609.db2.gz LARRWQRLUSYTHC-XZBKPIIZSA-N -1 1 232.236 -2.259 1 0 endogenous,in-vitro BAAFMM C[C@H](O)[C@@H](N)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000100771326 571813692 /nfs/dbraw/zinc/81/36/92/571813692.db2.gz LARRWQRLUSYTHC-VWDOSNQTSA-N -1 1 232.236 -2.259 1 0 endogenous,in-vitro BAAFMM C[C@@H](O)[C@H](N)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000100771329 571813742 /nfs/dbraw/zinc/81/37/42/571813742.db2.gz LARRWQRLUSYTHC-UCROKIRRSA-N -1 1 232.236 -2.259 1 0 endogenous,in-vitro BAAFMM C[C@H](O)[C@H](N)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000100771331 571813571 /nfs/dbraw/zinc/81/35/71/571813571.db2.gz LARRWQRLUSYTHC-YTLHQDLWSA-N -1 1 232.236 -2.259 1 0 endogenous,in-vitro BAAFMM C[C@H](O)[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000261496877 571862334 /nfs/dbraw/zinc/86/23/34/571862334.db2.gz LARRWQRLUSYTHC-AXMZGBSTSA-N -1 1 232.236 -2.259 1 0 endogenous,in-vitro BAAFMM C[C@H](O)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000261496878 571862277 /nfs/dbraw/zinc/86/22/77/571862277.db2.gz LARRWQRLUSYTHC-VZFHVOOUSA-N -1 1 232.236 -2.259 1 0 endogenous,in-vitro BAAFMM O=c1cc([O-])[nH]c(=O)n1COCCO ZINC000026893537 368320752 /nfs/dbraw/zinc/32/07/52/368320752.db2.gz PBJRUVDEAHEEMC-UHFFFAOYSA-N -1 1 202.166 -1.791 2 0 BAAFMM