smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(OC[C@]1(O)CO[C@H](O)[C@H]1O)c1ccc(O)c(O)c1 2356409162 AXXGOYGLECXHIE-USWWRNFRSA-N 286.236 -1.305 10 1 CACF NN=N[C@@H]1C[C@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O 2356836568 QFCBAEHLDPRBJN-ATRFCDNQSA-N 255.234 -1.489 10 1 CACF [N-]=[N+]=N[C@]1([C@@H](N)O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 38377608 LAKOUYZWWLMCSL-XZAJRHLXSA-N 250.211 -3.256 10 1 CACF in-vivo O=C1NC(O)=C2C=C([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)C=C12 2356416598 ZEJUTGUXYIRRIK-KATARQTJSA-N 267.237 -1.766 10 1 CACF [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O 3778211 HQMDKFQJGGNORX-MTQIGAJGSA-N 269.217 -1.185 10 1 CACF [N-]=[N+]=N[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O 17261178 MRUKYOQQKHNMFI-PXBUCIJWSA-N 269.217 -1.534 10 1 CACF CC(=O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)N(O)[C@@H]1O 8565624 QBHQZPRDJMYEDG-MRVPVSSYSA-N 267.201 -1.890 10 1 CACF endogenous,in-vitro N[C@@H]1C[C@H](O)[C@H]2[C@@H](O)c3ccc(O)c(O)c3CN2C1=O 2356751409 DGLVASJKYCTLGR-NKIYYHGXSA-N 280.280 -1.066 10 1 CACF Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(N)c1=O 3796224 ZUYYCXQRGBSHGJ-XLPZGREQSA-N 282.260 -1.009 10 1 CACF Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(N)c1=O 29247827 ZUYYCXQRGBSHGJ-BWZBUEFSSA-N 282.260 -1.009 10 1 CACF C[N+]([O-])=NCO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 100257523 YHLRMABUJXBLCK-YQXRAVKXSA-N 252.223 -2.647 10 1 CACF endogenous,in-man [N-]=[N+]=N[C@@H]1C[C@H](N2C=N[C@H]3C(=O)N=C(N)N=C32)O[C@@H]1CO 29469232 ISYSVANVIBNISA-DBRKOABJSA-N 292.259 -1.262 10 1 CACF CCN(CC)/[N+]([O-])=N/O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 40859923 KEYBNHMYDRFLOB-PDKDQYQDSA-N 295.292 -2.063 10 1 CACF [N-]=[N+]=N[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O 17261175 FEOYKPQEERVCAV-PXBUCIJWSA-N 268.233 -1.245 10 1 CACF Cc1cn([C@H]2C[C@@H](N=[N+]=[N])[C@@H](CO)O2)c(=O)[nH]c1=O 100131613 MVECQSNJHUZVIZ-BWZBUEFSSA-O 267.245 -1.735 10 1 CACF in-vitro C[N+]([O-])=NCO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257669247 YHLRMABUJXBLCK-RLMOJYMMSA-N 252.223 -2.647 10 1 CACF endogenous,in-man OC[C@H]1O[C@@H](CNCc2ccccc2O)[C@H](O)[C@@H](O)[C@@H]1O 96282375 ONBBSJNDXDDGBC-MEBFFEOJSA-N 299.323 -1.676 10 1 CACF [N-]=[N+]=NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O 169322751 ZXEWVLLJHQSJOW-CCXZUQQUSA-N 269.217 -1.534 10 1 CACF [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O 28634784 FHPJZSIIXUQGQE-YYWONIAYSA-N 285.216 -2.214 10 1 CACF [N-]=[N+]=N[C@@]1([C@@H](N)O)O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 71789128 LAKOUYZWWLMCSL-IEMWZLDZSA-N 250.211 -3.256 10 1 CACF in-vivo [N-]=[N+]=N[C@H](Cn1cnc2c(=O)[nH]c(N)nc21)[C@H](O)CO 26493531 HLYUQTKSZACKFO-RFZPGFLSSA-N 280.248 -1.266 10 1 CACF [N-]=[N+]=N[C@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O 29254704 HKFJGAHHVULNMG-PXBUCIJWSA-N 268.233 -1.245 10 1 CACF CCN(CC)/[N+]([O-])=N/O[C@H]1C[C@@H](O)[C@H](O)[C@@H](CO)O1 40981063 ANTUQQZLYGHZOA-LVJYOWNFSA-N 279.293 -1.034 10 1 CACF CC(=O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)N(O)[C@H]1O 95099889 QBHQZPRDJMYEDG-QMMMGPOBSA-N 267.201 -1.890 10 1 CACF endogenous,in-man O=C1NC(O)=C2C=C([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)C=C12 2356416597 ZEJUTGUXYIRRIK-IMSYWVGJSA-N 267.237 -1.766 10 1 CACF O=C(OC[C@@]1(O)CO[C@@H](O)[C@@H]1O)c1ccc(O)c(O)c1 205081579 AXXGOYGLECXHIE-MVWJERBFSA-N 286.236 -1.305 10 1 CACF [N-]=[N+]=NC[C@H]1O[C@@H](n2cc(CO)c(=O)[nH]c2=O)C[C@@H]1O 72132884 AQOQHPBAANKLDF-XLPZGREQSA-N 283.244 -1.012 10 1 CACF CC(=O)Nc1c2[nH]c[n+](C(C)=O)c2[nH]c(=O)[n+]1C 238734676 YTLVYLSOKBUFNI-UHFFFAOYSA-P 251.246 -1.413 10 1 CACF O=C(OC[C@H](O)CO)[C@@H](O)Cc1ccc(O)c(O)c1 2356675553 ZVIQIPQKRVKNLN-KCJUWKMLSA-N 272.253 -1.102 10 1 CACF [N-]=[N+]=N[C@H]1[C@H](O)[C@@H](CO)O[C@@H]1n1ccc(N)nc1=O 31870625 FEOYKPQEERVCAV-APTPUMFKSA-N 268.233 -1.245 10 1 CACF O=C(O)[C@H](O)[C@@](O)(Cc1ccc(O)c(O)c1)C(=O)O 15219221 PHFSBARLASYIFM-KWQFWETISA-N 272.209 -1.099 10 1 CACF [N-]=[N+]=N[C@@H](Cn1cnc2c(=O)[nH]c(N)nc21)[C@@H](O)CO 26493527 HLYUQTKSZACKFO-WHFBIAKZSA-N 280.248 -1.266 10 1 CACF N=[N+]=N[C@@H]1[C@@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1F 98207839 YRIDFNZYEULFDH-XVFCMESISA-O 272.216 -1.317 10 1 CACF in-vitro NN=N[C@@H]1C[C@@H](CO)O[C@@H]1n1ccc(=O)[nH]c1=O 2356836569 QFCBAEHLDPRBJN-BBVRLYRLSA-N 255.234 -1.489 10 1 CACF [N-]=[N+]=N[C@H]1[C@@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1O 29241998 WQBCHXWMHQMQKW-PXBUCIJWSA-N 269.217 -1.534 10 1 CACF O=C(O[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)c1ccc(O)c(O)c1 13481470 VWQASRWQZBVNEI-DNRKLUKYSA-N 286.236 -1.306 10 1 CACF in-man C[N+]([O-])=NCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 100257520 YHLRMABUJXBLCK-UIAUGNHASA-N 252.223 -2.647 10 1 CACF endogenous,in-man C[C@]1(O)[C@H](O)[C@](CO)(N=[N+]=[N-])O[C@H]1n1ccc(N)nc1=O 40891943 ZWELJJPTCLWKIY-WPYKOPORSA-N 298.259 -1.535 10 1 CACF [N-]=[N+]=N[C@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@H]1O 29254697 HKFJGAHHVULNMG-YDKYIBAVSA-N 268.233 -1.245 10 1 CACF Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(N)c1=O 38154493 ZUYYCXQRGBSHGJ-FXQIFTODSA-N 282.260 -1.009 10 1 CACF [N-]=[N+]=N[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@H]1O 6524897 HKFJGAHHVULNMG-CCXZUQQUSA-N 268.233 -1.245 10 1 CACF Cc1cn([C@@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O 201264584 NAGKXJUDUQVCRZ-JXOAFFINSA-N 283.244 -1.225 10 1 CACF biogenic [N-]=[N+]=N[C@]1(CO)O[C@@H](N2C=N[C@@H]3C(=O)N=CN=C32)C[C@@H]1O 169325905 KDBXJLIAUPISPO-HEZDBXPZSA-N 293.243 -1.228 10 1 CACF CN(N)/N=N\c1nc2c([nH]1)c(=O)n(C)c(=O)n2C 102633850 LXOYMCCVLIFXLJ-SEYXRHQNSA-N 252.238 -1.236 10 1 CACF O=C(O)[C@H](O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O 15219227 PHFSBARLASYIFM-GZMMTYOYSA-N 272.209 -1.099 10 1 CACF [N-]=[N+]=NC[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O 25963587 QDHJBOZHXMFOSF-UNGCPHIMSA-N 287.207 -1.395 10 1 CACF CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H](CO)C[C@H]1OCCN=[N+]=[N-] 957899196 XABWQXCIQZZUHY-SSRBZLIGSA-N 288.304 -1.079 10 1 CACF [N-]=[N+]=N[C@]1([C@H](N)O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 38377609 LAKOUYZWWLMCSL-GEGSFZHJSA-N 250.211 -3.256 10 1 CACF in-vivo [N-]=[N+]=NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O 94437859 ZXEWVLLJHQSJOW-PXBUCIJWSA-N 269.217 -1.534 10 1 CACF in-vitro,metabolite N[C@@H]1C[C@H](O)[C@@H]2[C@H](O)c3ccc(O)c(O)c3CN2C1=O 2356751407 DGLVASJKYCTLGR-DLYFRVTGSA-N 280.280 -1.066 10 1 CACF [N-]=[N+]=N[C@]1(CO)O[C@@H](n2cc(C(N)=O)nn2)[C@@H](F)[C@@H]1O 1857651727 UAXGBMFRBBXDEU-DGCAKLBHSA-N 287.211 -1.396 10 1 CACF [N-]=[N+]=N[C@H]1[C@H](O)[C@H](CO)O[C@@H]1n1ccc(N)nc1=O 4521167 FEOYKPQEERVCAV-JPCMASIJSA-N 268.233 -1.245 10 1 CACF CC(=O)C(=O)C1=N[c-]2c(nc(N)nc2=O)N(O)[C@@H]1O 100205143 FQFUOHKFCAZONE-MRVPVSSYSA-N 266.193 -2.104 10 1 CACF in-vitro Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(N)c1=O 38154496 ZUYYCXQRGBSHGJ-GJMOJQLCSA-N 282.260 -1.009 10 1 CACF Cc1ccnc2c1CCNC21C(=O)C(=O)C(=O)C(=O)C1=O 963086854 JIKQSNGWPIKLFI-UHFFFAOYSA-N 286.243 -1.410 10 1 CACF [N-]=[N+]=N[C@]1(CO)O[C@@H](N2C=N[C@H]3C(=O)N=CN=C32)C[C@@H]1O 169325903 KDBXJLIAUPISPO-MPXCPUAZSA-N 293.243 -1.228 10 1 CACF CCN(CC)/[N+]([O-])=N/O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O 40848534 YRVGGRMGUBWVHZ-ASPGHYRISA-N 279.293 -1.035 10 1 CACF O=C(OC[C@@H](O)CO)[C@@H](O)Cc1ccc(O)c(O)c1 2356675554 ZVIQIPQKRVKNLN-KWQFWETISA-N 272.253 -1.102 10 1 CACF O=C(O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)c(O)c1 13481473 VWQASRWQZBVNEI-SVDPJWKOSA-N 286.236 -1.306 10 1 CACF endogenous,in-man [N-]=[N+]=N[C@H]1[C@@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H]1O 29241991 WQBCHXWMHQMQKW-YDKYIBAVSA-N 269.217 -1.534 10 1 CACF O=C(O[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)c1ccc(O)c(O)c1 13481471 VWQASRWQZBVNEI-BFLSOPEQSA-N 286.236 -1.306 10 1 CACF in-man Cc1cn([C@@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O 169317024 NAGKXJUDUQVCRZ-JAGXHNFQSA-N 283.244 -1.225 10 1 CACF N[C@@H]1C[C@H](O)[C@@H]2[C@@H](O)c3ccc(O)c(O)c3CN2C1=O 2356751408 DGLVASJKYCTLGR-LZDMXVKQSA-N 280.280 -1.066 10 1 CACF CC(=O)C(=O)C1=N[c-]2c(nc(N)nc2=O)N(O)[C@H]1O 100205146 FQFUOHKFCAZONE-QMMMGPOBSA-N 266.193 -2.104 10 1 CACF in-vitro Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(N)c1=O 38154495 ZUYYCXQRGBSHGJ-CSMHCCOUSA-N 282.260 -1.009 10 1 CACF O=C(OC[C@@H](O)CO)[C@H](O)Cc1ccc(O)c(O)c1 238775959 ZVIQIPQKRVKNLN-GZMMTYOYSA-N 272.253 -1.102 10 1 CACF [N-]=[N+]=NC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O 48998073 QDHJBOZHXMFOSF-UAKXSSHOSA-N 287.207 -1.395 10 1 CACF [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O 40394591 ODLGMSQBFONGNG-JXOAFFINSA-N 284.232 -1.925 10 1 CACF C/[N+]([O-])=N/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 100611631 YHLRMABUJXBLCK-LBCXAKKBSA-N 252.223 -2.647 10 1 CACF biogenic,in-vitro Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(N)c1=O 38154494 ZUYYCXQRGBSHGJ-BIIVOSGPSA-N 282.260 -1.009 10 1 CACF CCN(CC)/[N+]([O-])=N/O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 40848532 KEYBNHMYDRFLOB-UDYFYYPFSA-N 295.292 -2.063 10 1 CACF OC[C@H]1O[C@@H](Oc2cccc(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O 40939129 WWVGRACROSBOHO-DVYMNCLGSA-N 288.252 -1.724 10 1 CACF NN=N[C@@H]1C[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O 2356836571 QFCBAEHLDPRBJN-SHYZEUOFSA-N 255.234 -1.489 10 1 CACF [N-]=[N+]=N[C@@H]1C[C@H](N2C=N[C@@H]3C(=O)N=C(N)N=C32)O[C@@H]1CO 29469235 ISYSVANVIBNISA-GBNDHIKLSA-N 292.259 -1.262 10 1 CACF C/[N+]([O-])=N\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 13532273 YHLRMABUJXBLCK-IRCVIWNGSA-N 252.223 -2.647 10 1 CACF in-vitro [N-]=[N+]=N[C@@H]1[C@@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H]1O 6524840 WQBCHXWMHQMQKW-CCXZUQQUSA-N 269.217 -1.534 10 1 CACF [N-]=[N+]=NC[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O 96900628 PKXNQBUCYDEQBI-AMCGLFBUSA-N 298.259 -1.883 10 1 CACF NN=N[C@@H]1C[C@H](CO)O[C@@H]1n1ccc(=O)[nH]c1=O 2356836570 QFCBAEHLDPRBJN-JKMUOGBPSA-N 255.234 -1.489 10 1 CACF C/[N+]([O-])=N/CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238757794 YHLRMABUJXBLCK-VEOLLBOESA-N 252.223 -2.647 10 1 CACF C[C@@]1(O)[C@H](O)[C@](CO)(N=[N+]=[N-])O[C@H]1n1ccc(N)nc1=O 40836563 ZWELJJPTCLWKIY-MVHNUAHISA-N 298.259 -1.535 10 1 CACF O=C(O[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)c(O)c1 13481472 VWQASRWQZBVNEI-MWGHHZFTSA-N 286.236 -1.306 10 1 CACF endogenous,in-man C[N+]([O-])=NCO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257669249 YHLRMABUJXBLCK-YOWKYNACSA-N 252.223 -2.647 10 1 CACF endogenous,in-man C/[N+]([O-])=N/CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 897134 YHLRMABUJXBLCK-ABKUXZRISA-N 252.223 -2.647 10 1 CACF [N-]=[N+]=N[C@H]1[C@H](O)[C@H](CO)O[C@H]1n1ccc(N)nc1=O 17261172 FEOYKPQEERVCAV-ZAKLUEHWSA-N 268.233 -1.245 10 1 CACF [N-]=[N+]=NCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 16052027 ACLUEOOMMLAETN-RHROMQPHSA-N 262.222 -2.787 10 1 CACF in-vitro Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(N)c1=O 29247821 ZUYYCXQRGBSHGJ-PRJMDXOYSA-N 282.260 -1.009 10 1 CACF O=C(O[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)c(O)c1 15046976 VWQASRWQZBVNEI-MIZYBKAJSA-N 286.236 -1.306 10 1 CACF endogenous,in-man N[C@@H]1C[C@H](O)[C@H]2[C@H](O)c3ccc(O)c(O)c3CN2C1=O 2356751410 DGLVASJKYCTLGR-WCXZBXRPSA-N 280.280 -1.066 10 1 CACF O=C(O)[C@@H](O)[C@@](O)(Cc1ccc(O)c(O)c1)C(=O)O 15219225 PHFSBARLASYIFM-KCJUWKMLSA-N 272.209 -1.099 10 1 CACF C[N+]([O-])=NCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 100195864 YHLRMABUJXBLCK-JAJWTYFOSA-N 252.223 -2.647 10 1 CACF in-vitro N=NCC(=O)C1=NN[C@@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N 169319632 OGKBWTPLKYOTPH-JKKQVKPRSA-N 285.260 -2.584 10 1 CACF [N-]=[N+]=N[C@@H](Cn1cnc2c(=O)[nH]c(N)nc21)[C@H](O)CO 26493534 HLYUQTKSZACKFO-CRCLSJGQSA-N 280.248 -1.266 10 1 CACF O=C1NC(O)=C2C=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C=C12 2356416599 ZEJUTGUXYIRRIK-KYXWUPHJSA-N 267.237 -1.766 10 1 CACF O=C(OC[C@H](O)CO)[C@H](O)Cc1ccc(O)c(O)c1 2356675555 ZVIQIPQKRVKNLN-LDYMZIIASA-N 272.253 -1.102 10 1 CACF [N-]=[N+]=N[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1C(N)=O 103245373 OQJBBNFCNJCLOD-JHYUDYDFSA-N 266.217 -1.012 10 1 CACF [N-]=[N+]=N[C@]1(CO)O[C@@H](n2cc(CO)nn2)[C@@H](F)[C@@H]1O 1857649758 QMGSUWAGWJPKTP-RULNZFCNSA-N 274.212 -1.003 10 1 CACF O=C(OC[C@]1(O)CO[C@@H](O)[C@H]1O)c1ccc(O)c(O)c1 2356409161 AXXGOYGLECXHIE-JLLWLGSASA-N 286.236 -1.305 10 1 CACF Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(N)c1=O 29247833 ZUYYCXQRGBSHGJ-RNJXMRFFSA-N 282.260 -1.009 10 1 CACF [N-]=[N+]=N[C@H](Cn1cnc2c(=O)[nH]c(N)nc21)[C@@H](O)CO 26493523 HLYUQTKSZACKFO-UHNVWZDZSA-N 280.248 -1.266 10 1 CACF CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)C[C@H]1OCCN=[N+]=[N-] 957899197 XABWQXCIQZZUHY-UVOCVTCTSA-N 288.304 -1.079 10 1 CACF N=NCC(=O)C1=NN[C@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N 49771948 OGKBWTPLKYOTPH-SMWZBBHJSA-N 285.260 -2.584 10 1 CACF