O=C(O)/C=C/C(=O)NN1C(=O)c2ccccc2C1=O ZINC000000116534 29/94/27/351299427 WRVJSYIFBDBZJF-AATRIKPKSA-N -1 260.205 CB -0.045 0 Anodyne ref CBAARM O=C([O-])/C=C/C(=O)NN1C(=O)c2ccccc2C1=O CC(C)[C@H](CO)NC(=O)CC(=O)N[C@@H](CO)C(C)C ZINC000002134252 30/77/25/351307725 VRIBIWUAFKVNNW-QWRGUYRKSA-N 0 274.361 CB -0.357 0 Anodyne ref CBAARN CC(C)[C@H](CO)NC(=O)CC(=O)N[C@@H](CO)C(C)C CC(C)[C@@H](CO)NC(=O)CC(=O)N[C@H](CO)C(C)C ZINC000002134253 77/57/05/169775705 VRIBIWUAFKVNNW-GHMZBOCLSA-N 0 274.361 CB -0.357 0 Anodyne ref CBAARN CC(C)[C@@H](CO)NC(=O)CC(=O)N[C@H](CO)C(C)C O=C1NC(=O)C(=NNc2cc([N+](=O)[O-])ccc2O)C(=O)N1 ZINC000002135029 30/79/74/351307974 MOCCDYJPNJYYNS-UHFFFAOYSA-N -3 293.195 CB -0.566 3 Mild high CBEAHL O=C1[N-]C(=O)C(=N[N-]c2cc([N+](=O)[O-])ccc2[O-])C(=O)N1 in-vitro biogenic O=C1NC(=O)C(=NNc2cc([N+](=O)[O-])ccc2O)C(=O)N1 ZINC000002135029 30/79/71/351307971 MOCCDYJPNJYYNS-UHFFFAOYSA-N 0 293.195 CB -0.566 2 Mild low CBEALN O=C1NC(=O)C(=NNc2cc([N+](=O)[O-])ccc2O)C(=O)N1 in-vitro biogenic O=C1NC(=O)C(=NNc2cc([N+](=O)[O-])ccc2O)C(=O)N1 ZINC000002135029 30/79/66/351307966 MOCCDYJPNJYYNS-UHFFFAOYSA-N -2 293.195 CB -0.566 0 Mild ref CBEARL O=C1[N-]C(=O)C(=NNc2cc([N+](=O)[O-])ccc2[O-])C(=O)N1 in-vitro biogenic CCNC(=S)N1CCNC(=O)[C@H]1CC(=O)OCC ZINC000002204378 26/42/67/276264267 YXGSZVLXPWPADL-MRVPVSSYSA-N 0 273.358 CB -0.366 0 Anodyne ref CBAARN CCNC(=S)N1CCNC(=O)[C@H]1CC(=O)OCC CCNC(=S)N1CCNC(=O)[C@@H]1CC(=O)OCC ZINC000002204379 58/24/75/285582475 YXGSZVLXPWPADL-QMMMGPOBSA-N 0 273.358 CB -0.366 0 Anodyne ref CBAARN CCNC(=S)N1CCNC(=O)[C@@H]1CC(=O)OCC COc1ccc(NN=C2C(=O)NC(=O)NC2=O)cc1 ZINC000003897819 31/55/85/351315585 ZRTSXTLHSVJXAZ-UHFFFAOYSA-N 0 262.225 CB -0.171 2 Mild low CBEALN COc1ccc(NN=C2C(=O)NC(=O)NC2=O)cc1 COc1ccc(NN=C2C(=O)NC(=O)NC2=O)cc1 ZINC000003897819 31/55/83/351315583 ZRTSXTLHSVJXAZ-UHFFFAOYSA-N -1 262.225 CB -0.171 0 Mild ref CBEARM COc1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1 N#Cc1ccccc1NN=C1C(=O)NC(=O)NC1=O ZINC000004179715 31/68/44/351316844 OWFWWFBECGKBLP-UHFFFAOYSA-N 0 257.209 CB -0.308 2 Mild low CBEALN N#Cc1ccccc1NN=C1C(=O)NC(=O)NC1=O N#Cc1ccccc1NN=C1C(=O)NC(=O)NC1=O ZINC000004179715 31/68/41/351316841 OWFWWFBECGKBLP-UHFFFAOYSA-N -1 257.209 CB -0.308 0 Mild ref CBEARM N#Cc1ccccc1NN=C1C(=O)[N-]C(=O)NC1=O N#Cc1cccc(NN=C2C(=O)NC(=O)NC2=O)c1 ZINC000005568908 11/46/22/170114622 UNFFCIGSCPUZNL-UHFFFAOYSA-N 0 257.209 CB -0.308 2 Mild low CBEALN N#Cc1cccc(NN=C2C(=O)NC(=O)NC2=O)c1 N#Cc1cccc(NN=C2C(=O)NC(=O)NC2=O)c1 ZINC000005568908 11/46/20/170114620 UNFFCIGSCPUZNL-UHFFFAOYSA-N -1 257.209 CB -0.308 0 Mild ref CBEARM N#Cc1cccc(NN=C2C(=O)[N-]C(=O)NC2=O)c1 COc1ccc(OC)c(NN=C2C(=O)NC(=O)NC2=O)c1 ZINC000006145622 17/93/42/170179342 MBDWRTMEPCOLDX-UHFFFAOYSA-N 0 292.251 CB -0.162 2 Mild low CBEALN COc1ccc(OC)c(NN=C2C(=O)NC(=O)NC2=O)c1 COc1ccc(OC)c(NN=C2C(=O)NC(=O)NC2=O)c1 ZINC000006145622 17/93/40/170179340 MBDWRTMEPCOLDX-UHFFFAOYSA-N -1 292.251 CB -0.162 0 Mild ref CBEARM COc1ccc(OC)c(NN=C2C(=O)[N-]C(=O)NC2=O)c1 CC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCC(C)C ZINC000012137312 33/27/26/351332726 GJAKTSOOVHLHAI-JTQLQIEISA-N 0 256.302 CB -0.077 0 Anodyne ref CBAARN CC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCC(C)C CC(=O)N1CCNC(=O)[C@H]1CC(=O)OCC(C)C ZINC000012137313 33/28/21/351332821 GJAKTSOOVHLHAI-SNVBAGLBSA-N 0 256.302 CB -0.077 0 Anodyne ref CBAARN CC(=O)N1CCNC(=O)[C@H]1CC(=O)OCC(C)C COC(=O)/C(C#N)=N\Nc1ccc(S(N)(=O)=O)cc1 ZINC000012403995 33/40/51/351334051 LEWBHLIKQGJAPH-ZROIWOOFSA-N -1 282.281 CB -0.202 3 Mild high CBEAHM COC(=O)C(C#N)=N[N-]c1ccc(S(N)(=O)=O)cc1 COC(=O)/C(C#N)=N\Nc1ccc(S(N)(=O)=O)cc1 ZINC000012403995 33/40/49/351334049 LEWBHLIKQGJAPH-ZROIWOOFSA-N 0 282.281 CB -0.202 0 Mild ref CBEARN COC(=O)C(C#N)=NNc1ccc(S(N)(=O)=O)cc1 CC(C)[C@@H](CO)NC(=O)CC(=O)N[C@@H](CO)C(C)C ZINC000018122174 74/33/85/170743385 VRIBIWUAFKVNNW-PHIMTYICSA-N 0 274.361 CB -0.357 0 Anodyne ref CBAARN CC(C)[C@@H](CO)NC(=O)CC(=O)N[C@@H](CO)C(C)C CC1(C)OC(=O)c2c(cc(NCC(N)=O)oc2=O)O1 ZINC000095951413 04/02/02/185040202 OSLCGFNISIFDCU-UHFFFAOYSA-N 0 268.225 CB -0.178 0 Anodyne ref CBAARN CC1(C)OC(=O)c2c(cc(NCC(N)=O)oc2=O)O1 N#C/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(N)=O ZINC000100008497 42/86/97/526428697 ODGGNTOSOZYBNS-ZSOIEALJSA-N 0 267.27 CB -0.889 0 Mild ref CBEARN N#CC(=NNc1ccc(S(N)(=O)=O)cc1)C(N)=O CC1(C)CCN(C(=O)[C@@H]2NC(=O)CNC2=O)CC1 ZINC000644149346 49/39/90/374493990 CMDJLWUBAMKOJS-SECBINFHSA-N 0 253.302 CB -0.75 0 Anodyne ref CBABRN CC1(C)CCN(C(=O)[C@@H]2NC(=O)CNC2=O)CC1 CC1(C)CCN(C(=O)[C@H]2NC(=O)CNC2=O)CC1 ZINC000644149347 49/31/81/374493181 CMDJLWUBAMKOJS-VIFPVBQESA-N 0 253.302 CB -0.75 0 Anodyne ref CBABRN CC1(C)CCN(C(=O)[C@H]2NC(=O)CNC2=O)CC1 O=C1CNC(=O)[C@@H](C(=O)NCc2cc3ccccc3[nH]2)N1 ZINC000644149428 49/39/22/374493922 NEQSQPVUWCPXSR-GFCCVEGCSA-N 0 286.291 CB -0.601 0 Anodyne ref CBABRN O=C1CNC(=O)[C@@H](C(=O)NCc2cc3ccccc3[nH]2)N1 O=C1CNC(=O)[C@H](C(=O)NCc2cc3ccccc3[nH]2)N1 ZINC000644149429 49/37/87/374493787 NEQSQPVUWCPXSR-LBPRGKRZSA-N 0 286.291 CB -0.601 0 Anodyne ref CBABRN O=C1CNC(=O)[C@H](C(=O)NCc2cc3ccccc3[nH]2)N1 O=C1CNC(=O)[C@H](C(=O)N[C@@H]2CCOc3ccccc32)N1 ZINC000644149476 49/38/12/374493812 UHCOZXJNBPHSIP-BXKDBHETSA-N 0 289.291 CB -0.759 0 Anodyne ref CBABRN O=C1CNC(=O)[C@H](C(=O)N[C@@H]2CCOc3ccccc32)N1 O=C1CNC(=O)[C@@H](C(=O)N[C@H]2CCOc3ccccc32)N1 ZINC000644149477 49/41/37/374494137 UHCOZXJNBPHSIP-CABZTGNLSA-N 0 289.291 CB -0.759 0 Anodyne ref CBABRN O=C1CNC(=O)[C@@H](C(=O)N[C@H]2CCOc3ccccc32)N1 O=C1CNC(=O)[C@H](C(=O)N[C@H]2CCOc3ccccc32)N1 ZINC000644149478 49/33/50/374493350 UHCOZXJNBPHSIP-JOYOIKCWSA-N 0 289.291 CB -0.759 0 Anodyne ref CBABRN O=C1CNC(=O)[C@H](C(=O)N[C@H]2CCOc3ccccc32)N1 O=C1CNC(=O)[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)N1 ZINC000644149479 49/33/33/374493333 UHCOZXJNBPHSIP-SKDRFNHKSA-N 0 289.291 CB -0.759 0 Anodyne ref CBABRN O=C1CNC(=O)[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)N1