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353403946 /nfs/dbraw/zinc/40/39/46/353403946.db2.gz OZMIQIBTPPOUEC-UHFFFAOYSA-N 0 0 214.250 -1.157 50 0 BAAARN CNC(=S)NNc1nc(C)cc(=O)n1N ZINC000001407743 173317176 /nfs/dbraw/zinc/31/71/76/173317176.db2.gz PJFXYTVOWMHYLA-UHFFFAOYSA-N 0 0 228.281 -1.314 50 0 BAAARN CCN1C(=O)N(CC)[C@H]2NS(=O)(=O)N[C@@H]21 ZINC000001408269 353416619 /nfs/dbraw/zinc/41/66/19/353416619.db2.gz UPJYOTWLCIPDPJ-PHDIDXHHSA-N 0 0 234.281 -1.146 50 0 BAAARN CCN1C(=O)N(CC)[C@@H]2NS(=O)(=O)N[C@H]21 ZINC000001408272 169947877 /nfs/dbraw/zinc/94/78/77/169947877.db2.gz UPJYOTWLCIPDPJ-WDSKDSINSA-N 0 0 234.281 -1.146 50 0 BAAARN CNC(=O)c1cnn2c1nnc(C(=O)NC)c2N ZINC000001408871 173314554 /nfs/dbraw/zinc/31/45/54/173314554.db2.gz KSNBFGVFCFYTMR-UHFFFAOYSA-N 0 0 249.234 -1.574 50 0 BAAARN CNC(=O)c1ncn2c1nnc(C(=O)NC)c2N ZINC000001409210 173315014 /nfs/dbraw/zinc/31/50/14/173315014.db2.gz KSKNMJQBYVGAFO-UHFFFAOYSA-N 0 0 249.234 -1.574 50 0 BAAARN O=c1cnn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[n-]1 ZINC000001422321 183008013 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181805368 /nfs/dbraw/zinc/80/53/68/181805368.db2.gz NMUSYJAQQFHJEW-AZGQCCRYSA-N 0 0 244.207 -3.168 50 0 BAAARN Cn1c2nc(NN)n(CCO)c2c(=O)[nH]c1=O ZINC000001498437 355873285 /nfs/dbraw/zinc/87/32/85/355873285.db2.gz BQGKXOGOKOTKLV-UHFFFAOYSA-N 0 0 240.223 -2.299 50 0 BAAARN [NH3+][C@@H](CCSC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000001529407 342702468 /nfs/dbraw/zinc/70/24/68/342702468.db2.gz ILRYLPWNYFXEMH-CRCLSJGQSA-N 0 0 222.266 -1.067 50 0 endogenous,in-man BAAARN O=S(=O)([O-])CC[NH2+]C(CO)(CO)CO ZINC000001530141 342702527 /nfs/dbraw/zinc/70/25/27/342702527.db2.gz JOCBASBOOFNAJA-UHFFFAOYSA-N 0 0 229.254 -2.821 50 0 in-vivo BAAARN CC(C)(CO)[C@@H](O)C(=O)NCCCO ZINC000001530303 342702467 /nfs/dbraw/zinc/70/24/67/342702467.db2.gz SNPLKNRPJHDVJA-ZETCQYMHSA-N 0 0 205.254 -1.136 50 0 endogenous,fda BAAARN Nc1nc2c(ncn2COCCO)c(=O)[nH]1 ZINC000001530555 346501978 /nfs/dbraw/zinc/50/19/78/346501978.db2.gz MKUXAQIIEYXACX-UHFFFAOYSA-N 0 0 225.208 -1.332 50 0 fda BAAARN [NH3+][C@@H](CSCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000001532680 342702530 /nfs/dbraw/zinc/70/25/30/342702530.db2.gz ILRYLPWNYFXEMH-WHFBIAKZSA-N 0 0 222.266 -1.067 50 0 endogenous,world BAAARN Cn1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC000001532910 342702497 /nfs/dbraw/zinc/70/24/97/342702497.db2.gz MYYIAHXIVFADCU-QMMMGPOBSA-N 0 0 240.263 -1.119 50 0 endogenous,in-man BAAARN CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CO)C(=O)[O-] ZINC000001541834 342702405 /nfs/dbraw/zinc/70/24/05/342702405.db2.gz XGDCYUQSFDQISZ-BQBZGAKWSA-N 0 0 218.253 -1.079 50 0 endogenous,in-man BAAARN Nc1ncnc2c1ncn2C[C@@H]([NH3+])C(=O)[O-] ZINC000001555631 387508907 /nfs/dbraw/zinc/50/89/07/387508907.db2.gz ZNLYVNWXRJEZDN-SCSAIBSYSA-N 0 0 222.208 -1.180 50 0 BAAARN COC(=O)CS(=O)(=O)CC(=O)OC ZINC000001560532 342702906 /nfs/dbraw/zinc/70/29/06/342702906.db2.gz XWPWFILACZRQRM-UHFFFAOYSA-N 0 0 210.207 -1.253 50 0 BAAARN CC(C)(CO)[C@H](O)C(=O)NCCCO ZINC000001567243 188274093 /nfs/dbraw/zinc/27/40/93/188274093.db2.gz SNPLKNRPJHDVJA-SSDOTTSWSA-N 0 0 205.254 -1.136 50 0 endogenous,in-man BAAARN [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)[O-] ZINC000001569725 181352407 /nfs/dbraw/zinc/35/24/07/181352407.db2.gz QMOQBVOBWVNSNO-UHFFFAOYSA-N 0 0 246.223 -3.622 50 0 BAAARN C[C@H](NC(=O)CNC(=O)C[NH3+])C(=O)[O-] ZINC000001575500 342703662 /nfs/dbraw/zinc/70/36/62/342703662.db2.gz CCQOOWAONKGYKQ-BYPYZUCNSA-N 0 0 203.198 -2.349 50 0 in-vitro BAAARN C[C@@H]([NH3+])C(=O)NCC(=O)NCC(=O)[O-] ZINC000001575501 342703729 /nfs/dbraw/zinc/70/37/29/342703729.db2.gz VGPWRRFOPXVGOH-SCSAIBSYSA-N 0 0 203.198 -2.349 50 0 in-vitro BAAARN CC(C)C[C@@H](NC(=O)C[NH3+])C(=O)NCC(=O)[O-] ZINC000001575520 342703717 /nfs/dbraw/zinc/70/37/17/342703717.db2.gz CCBIBMKQNXHNIN-SSDOTTSWSA-N 0 0 245.279 -1.323 50 0 BAAARN CC(C)C[C@@H]([NH3+])C(=O)NCC(=O)NCC(=O)[O-] ZINC000001575521 342703719 /nfs/dbraw/zinc/70/37/19/342703719.db2.gz VWHGTYCRDRBSFI-SSDOTTSWSA-N 0 0 245.279 -1.323 50 0 BAAARN C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000001575553 342703805 /nfs/dbraw/zinc/70/38/05/342703805.db2.gz CCUAQNUWXLYFRA-IMJSIDKUSA-N 0 0 203.198 -2.222 50 0 endogenous,in-man BAAARN C[C@@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000001575554 342703680 /nfs/dbraw/zinc/70/36/80/342703680.db2.gz CCUAQNUWXLYFRA-DMTCNVIQSA-N 0 0 203.198 -2.222 50 0 endogenous,in-man BAAARN C[C@H]([NH3+])C(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000001575555 342703772 /nfs/dbraw/zinc/70/37/72/342703772.db2.gz CCUAQNUWXLYFRA-IUYQGCFVSA-N 0 0 203.198 -2.222 50 0 endogenous,in-man BAAARN C[C@@H]([NH3+])C(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000001575556 342703657 /nfs/dbraw/zinc/70/36/57/342703657.db2.gz CCUAQNUWXLYFRA-QWWZWVQMSA-N 0 0 203.198 -2.222 50 0 endogenous,in-man BAAARN CN(CC(=O)[O-])C(=O)CNC(=O)C[NH3+] ZINC000001576193 342703677 /nfs/dbraw/zinc/70/36/77/342703677.db2.gz WTUVOOODVFIARR-UHFFFAOYSA-N 0 0 203.198 -2.396 50 0 BAAARN CC[C@@H]([NH3+])C(=O)NCC(=O)NCC(=O)[O-] ZINC000001576275 387240541 /nfs/dbraw/zinc/24/05/41/387240541.db2.gz BCUXQQNDDSPNRK-RXMQYKEDSA-N 0 0 217.225 -1.959 50 0 BAAARN CC(C)[C@H]([NH3+])C(=O)N[C@@H](CO)C(=O)[O-] ZINC000001578621 188274081 /nfs/dbraw/zinc/27/40/81/188274081.db2.gz STTYIMSDIYISRG-WDSKDSINSA-N 0 0 204.226 -1.469 50 0 endogenous,in-man BAAARN CC(C)[C@@H]([NH3+])C(=O)N[C@@H](CO)C(=O)[O-] ZINC000001578622 383907264 /nfs/dbraw/zinc/90/72/64/383907264.db2.gz STTYIMSDIYISRG-NTSWFWBYSA-N 0 0 204.226 -1.469 50 0 endogenous,in-man BAAARN CC(C)[C@H]([NH3+])C(=O)N[C@H](CO)C(=O)[O-] ZINC000001578623 383907499 /nfs/dbraw/zinc/90/74/99/383907499.db2.gz STTYIMSDIYISRG-RITPCOANSA-N 0 0 204.226 -1.469 50 0 endogenous,in-man BAAARN CC(C)[C@@H]([NH3+])C(=O)N[C@H](CO)C(=O)[O-] ZINC000001578624 383907539 /nfs/dbraw/zinc/90/75/39/383907539.db2.gz STTYIMSDIYISRG-PHDIDXHHSA-N 0 0 204.226 -1.469 50 0 endogenous,in-man BAAARN C[C@H](NC(=O)CNC(=O)C[NH3+])C(N)=O ZINC000001579627 342787663 /nfs/dbraw/zinc/78/76/63/342787663.db2.gz GQJZMLRJKRLGLM-BYPYZUCNSA-N 0 0 202.214 -2.949 50 0 BAAARN C[C@@H](O)[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)[O-] ZINC000001580038 342704171 /nfs/dbraw/zinc/70/41/71/342704171.db2.gz XPNSAQMEAVSQRD-FBCQKBJTSA-N 0 0 233.224 -2.989 50 0 BAAARN [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000001589437 342704470 /nfs/dbraw/zinc/70/44/70/342704470.db2.gz KRBMQYPTDYSENE-BQBZGAKWSA-N 0 0 242.235 -2.159 50 0 endogenous,in-man BAAARN O=S(=O)([O-])C[C@@H](O)C[NH+](CCO)CCO ZINC000001590503 342704639 /nfs/dbraw/zinc/70/46/39/342704639.db2.gz XCBLFURAFHFFJF-ZETCQYMHSA-N 0 0 243.281 -2.478 50 0 in-vitro BAAARN CC(C)(CO)[NH2+]C[C@@H](O)CS(=O)(=O)[O-] ZINC000001590504 259301260 /nfs/dbraw/zinc/30/12/60/259301260.db2.gz ACERFIHBIWMFOR-ZCFIWIBFSA-N 0 0 227.282 -1.404 50 0 in-vitro BAAARN CC(C)C[C@H](NC(=O)CNC(=O)C[NH3+])C(=O)[O-] ZINC000001591037 259301242 /nfs/dbraw/zinc/30/12/42/259301242.db2.gz XPJBQTCXPJNIFE-ZETCQYMHSA-N 0 0 245.279 -1.323 50 0 in-vitro BAAARN O=S(=O)([O-])CCC[NH2+]C(CO)(CO)CO ZINC000001611594 342705617 /nfs/dbraw/zinc/70/56/17/342705617.db2.gz YNLCVAQJIKOXER-UHFFFAOYSA-N 0 0 243.281 -2.430 50 0 in-vitro BAAARN O=C(CCC(=O)NCCO)NCCO ZINC000001634324 387198388 /nfs/dbraw/zinc/19/83/88/387198388.db2.gz PDECHAVKIJHTRQ-UHFFFAOYSA-N 0 0 204.226 -2.016 50 0 BAAARN O=C(CCCCC(=O)NCCO)NCCO ZINC000001634325 357038502 /nfs/dbraw/zinc/03/85/02/357038502.db2.gz OSGRUAAPIRXZTJ-UHFFFAOYSA-N 0 0 232.280 -1.236 50 0 BAAARN CC(C)[C@@H](NC(=O)CNC(=O)C[NH3+])C(=O)[O-] ZINC000001635604 383915517 /nfs/dbraw/zinc/91/55/17/383915517.db2.gz OLPPXYMMIARYAL-MRVPVSSYSA-N 0 0 231.252 -1.713 50 0 BAAARN [NH3+]CCC(=O)NCC(=O)NCC(=O)[O-] ZINC000001637973 181368012 /nfs/dbraw/zinc/36/80/12/181368012.db2.gz KFZPLMGKDOHBHG-UHFFFAOYSA-N 0 0 203.198 -2.348 50 0 BAAARN O=C([O-])CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000001637983 387207761 /nfs/dbraw/zinc/20/77/61/387207761.db2.gz HAAQQNHQZBOWFO-ZCFIWIBFSA-N 0 0 229.236 -1.945 50 0 BAAARN C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000001637985 342706533 /nfs/dbraw/zinc/70/65/33/342706533.db2.gz BYXHQQCXAJARLQ-HSUXUTPPSA-N 0 0 231.252 -1.572 50 0 BAAARN Nc1ccn([C@@H]2CO[C@H](CO)O2)c(=O)n1 ZINC000001642845 342706713 /nfs/dbraw/zinc/70/67/13/342706713.db2.gz RXRGZNYSEHTMHC-BQBZGAKWSA-N 0 0 213.193 -1.311 50 0 investigational BAAARN CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC(=O)[O-] ZINC000001644619 383915195 /nfs/dbraw/zinc/91/51/95/383915195.db2.gz PIFJAFRUVWZRKR-MRVPVSSYSA-N 0 0 231.252 -1.713 50 0 BAAARN NC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000001645022 181262014 /nfs/dbraw/zinc/26/20/14/181262014.db2.gz FKWQEFWENKGUGF-FPRJBGLDSA-N 0 0 222.197 -3.545 50 0 BAAARN CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC ZINC000001648298 170256046 /nfs/dbraw/zinc/25/60/46/170256046.db2.gz YSAVZVORKRDODB-WDSKDSINSA-N 0 0 206.194 -1.166 50 0 endogenous,in-man BAAARN CCOC(=O)[C@H](O)[C@@H](O)C(=O)OCC ZINC000001648299 170278256 /nfs/dbraw/zinc/27/82/56/170278256.db2.gz YSAVZVORKRDODB-PHDIDXHHSA-N 0 0 206.194 -1.166 50 0 endogenous,in-man BAAARN O=S(=O)([O-])CC[NH+](CCO)CCO ZINC000001659810 342707417 /nfs/dbraw/zinc/70/74/17/342707417.db2.gz AJTVSSFTXWNIRG-UHFFFAOYSA-N 0 0 213.255 -1.839 50 0 in-vitro BAAARN CCOC(=O)C(CO)(NC(C)=O)C(=O)OCC ZINC000001670363 170188247 /nfs/dbraw/zinc/18/82/47/170188247.db2.gz ZJJNFDMJQOSWEJ-UHFFFAOYSA-N 0 0 247.247 -1.020 50 0 BAAARN O=C(C(=O)N1CCOCC1)N1CCOCC1 ZINC000001678793 181852181 /nfs/dbraw/zinc/85/21/81/181852181.db2.gz DKRDJODCERTCFW-UHFFFAOYSA-N 0 0 228.248 -1.296 50 0 BAAARN O=C(Cn1ccc(=O)[nH]c1=O)N1CCOCC1 ZINC000001692901 182066205 /nfs/dbraw/zinc/06/62/05/182066205.db2.gz GYXXKNZFENVEBR-UHFFFAOYSA-N 0 0 239.231 -1.605 50 0 BAAARN OCC1(CO)COCC(CO)(CO)C1O ZINC000001702547 183036682 /nfs/dbraw/zinc/03/66/82/183036682.db2.gz LCOOMOSZMKFHOC-UHFFFAOYSA-N 0 0 222.237 -2.681 50 0 BAAARN O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000001703948 387482515 /nfs/dbraw/zinc/48/25/15/387482515.db2.gz UCKYOOZPSJFJIZ-FMDGEEDCSA-N 0 0 248.235 -2.841 50 0 investigational BAAARN [NH3+][C@H](CCSC[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000001708207 181616182 /nfs/dbraw/zinc/61/61/82/181616182.db2.gz ILRYLPWNYFXEMH-UHNVWZDZSA-N 0 0 222.266 -1.067 50 0 biogenic,in-vitro BAAARN [NH3+][C@H](CCSC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000001708208 345776594 /nfs/dbraw/zinc/77/65/94/345776594.db2.gz ILRYLPWNYFXEMH-RFZPGFLSSA-N 0 0 222.266 -1.067 50 0 biogenic,in-vitro BAAARN CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)[O-] ZINC000001708209 187245365 /nfs/dbraw/zinc/24/53/65/187245365.db2.gz VWHGTYCRDRBSFI-ZETCQYMHSA-N 0 0 245.279 -1.323 50 0 in-vitro BAAARN O=C1CCC2(CCC(=O)NC2=O)C(=O)N1 ZINC000001712442 342710679 /nfs/dbraw/zinc/71/06/79/342710679.db2.gz VLXWUMRXYIGSMF-UHFFFAOYSA-N 0 0 210.189 -1.154 50 0 BAAARN NC(=[NH2+])NCCC[C@H](NC(N)=O)C(=O)[O-] ZINC000001722125 574411483 /nfs/dbraw/zinc/41/14/83/574411483.db2.gz GNRVMKVZOPHHAO-BYPYZUCNSA-N 0 0 217.229 -1.629 50 0 endogenous,in-vitro BAAARN [NH3+][C@@H](CSC[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000001730666 192033522 /nfs/dbraw/zinc/03/35/22/192033522.db2.gz DWPCPZJAHOETAG-IMJSIDKUSA-N 0 0 208.239 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O=c1cnn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n-]1 ZINC000004686985 183007497 /nfs/dbraw/zinc/00/74/97/183007497.db2.gz WYXSYVWAUAUWLD-QMTIVRBISA-N 0 0 245.191 -3.457 50 0 BAAARN CN1C(=O)N(C)[C@@H](NC(N)=O)[C@@H]1NC(N)=O ZINC000004728715 348048054 /nfs/dbraw/zinc/04/80/54/348048054.db2.gz IJYVJWCIRNATST-QWWZWVQMSA-N 0 0 230.228 -2.028 50 0 BAAARN CN1C(=O)N(C)[C@H](NC(N)=O)[C@H]1NC(N)=O ZINC000004728716 172969085 /nfs/dbraw/zinc/96/90/85/172969085.db2.gz IJYVJWCIRNATST-IMJSIDKUSA-N 0 0 230.228 -2.028 50 0 BAAARN NC(=O)NCCNC(=O)c1nonc1N ZINC000004741001 181258506 /nfs/dbraw/zinc/25/85/06/181258506.db2.gz NROBVTNWZKYSNA-UHFFFAOYSA-N 0 0 214.185 -1.950 50 0 BAAARN CC[C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000004761950 397930006 /nfs/dbraw/zinc/93/00/06/397930006.db2.gz NBEVEIBTTXZBJC-SRQIZXRXSA-N 0 0 204.226 -1.326 50 0 BAAARN CC[C@H]([NH3+])C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O ZINC000004761956 397929869 /nfs/dbraw/zinc/92/98/69/397929869.db2.gz NBEVEIBTTXZBJC-NGJCXOISSA-N 0 0 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