CN1CCN(C(=O)CCC(=O)O)CC1 ZINC000000174891 06/58/10/173065810 NZTQZEIZMMJXFG-UHFFFAOYSA-N 0 200.238 BB -0.375 1 Anodyne mid BBAAMN C[NH+]1CCN(C(=O)CCC(=O)[O-])CC1 CN1CCN(C(=O)CCC(=O)O)CC1 ZINC000000174891 06/58/07/173065807 NZTQZEIZMMJXFG-UHFFFAOYSA-N -1 200.238 BB -0.375 0 Anodyne ref BBAARM CN1CCN(C(=O)CCC(=O)[O-])CC1 O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12 ZINC000000391926 01/18/68/183011868 ANSXAPJVJOKRDJ-UHFFFAOYSA-N 0 218.12 BB -0.505 0 Anodyne ref BBAARN O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12 O=C(O)C[C@H]1N[C@H]2CCCC[C@H]2NC1=O ZINC000000539414 48/88/71/387488871 JFDHXGDWYYXPNV-XLPZGREQSA-N -1 212.249 BB -0.14 1 Anodyne mid BBABMM O=C([O-])C[C@H]1N[C@H]2CCCC[C@H]2NC1=O O=C(O)C[C@H]1N[C@H]2CCCC[C@H]2NC1=O ZINC000000539414 48/88/60/387488860 JFDHXGDWYYXPNV-XLPZGREQSA-N 0 212.249 BB -0.14 0 Anodyne ref BBABRN O=C([O-])C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O O=C1NC(=O)C(=NNc2nccs2)C(=O)N1 ZINC000000997218 69/56/74/342695674 CBRSVOSQEYUQIL-UHFFFAOYSA-N -2 239.216 BB -0.723 1 Mild mid BBEAML O=C1[N-]C(=O)C(=N[N-]c2nccs2)C(=O)N1 O=C1NC(=O)C(=NNc2nccs2)C(=O)N1 ZINC000000997218 69/56/73/342695673 CBRSVOSQEYUQIL-UHFFFAOYSA-N -1 239.216 BB -0.723 0 Mild ref BBEARM O=C1NC(=O)C(=N[N-]c2nccs2)C(=O)N1 O=c1[nH]cc(I)c(=O)[nH]1 ZINC000001092752 50/16/26/346501626 KSNXJLQDQOIRIP-UHFFFAOYSA-N -1 237.984 BB -0.332 1 Anodyne mid BBAAMM O=c1[n-]c(=O)c(I)c[nH]1 biogenic in-vivo O=c1[nH]cc(I)c(=O)[nH]1 ZINC000001092752 50/16/19/346501619 KSNXJLQDQOIRIP-UHFFFAOYSA-N 0 237.984 BB -0.332 0 Anodyne ref BBAARN O=c1[nH]cc(I)c(=O)[nH]1 biogenic in-vivo CC(C)CN1CCNC(=O)[C@H]1CC(=O)O ZINC000001236602 69/86/23/342698623 VBMLEMPUUKCWEB-MRVPVSSYSA-N -1 214.265 BB -0.082 1 Anodyne mid BBAAMM CC(C)CN1CCNC(=O)[C@H]1CC(=O)[O-] CC(C)CN1CCNC(=O)[C@H]1CC(=O)O ZINC000001236602 69/86/21/342698621 VBMLEMPUUKCWEB-MRVPVSSYSA-N 0 214.265 BB -0.082 1 Anodyne mid BBAAMN CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-] CC(C)CN1CCNC(=O)[C@H]1CC(=O)O ZINC000001236602 69/86/18/342698618 VBMLEMPUUKCWEB-MRVPVSSYSA-N 0 214.265 BB -0.082 0 Anodyne ref BBAARN CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-] CC(C)CN1CCNC(=O)[C@@H]1CC(=O)O ZINC000001236604 69/87/52/342698752 VBMLEMPUUKCWEB-QMMMGPOBSA-N -1 214.265 BB -0.082 1 Anodyne mid BBAAMM CC(C)CN1CCNC(=O)[C@@H]1CC(=O)[O-] CC(C)CN1CCNC(=O)[C@@H]1CC(=O)O ZINC000001236604 69/87/51/342698751 VBMLEMPUUKCWEB-QMMMGPOBSA-N 0 214.265 BB -0.082 1 Anodyne mid BBAAMN CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] CC(C)CN1CCNC(=O)[C@@H]1CC(=O)O ZINC000001236604 69/87/50/342698750 VBMLEMPUUKCWEB-QMMMGPOBSA-N 0 214.265 BB -0.082 0 Anodyne ref BBAARN CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccnc1 ZINC000001926621 94/06/67/383940667 BJWIGOXECUMUEU-SNVBAGLBSA-N 0 249.27 BB -0.143 2 Anodyne low BBAALN O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccnc1 O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccnc1 ZINC000001926621 94/06/61/383940661 BJWIGOXECUMUEU-SNVBAGLBSA-N 0 249.27 BB -0.143 2 Anodyne low BBAALN O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1Cc1cccnc1 O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccnc1 ZINC000001926621 94/06/58/383940658 BJWIGOXECUMUEU-SNVBAGLBSA-N -1 249.27 BB -0.143 0 Anodyne ref BBAARM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cccnc1 O=C(O)C[C@H]1C(=O)NCCN1Cc1cccnc1 ZINC000001926623 94/12/10/383941210 BJWIGOXECUMUEU-JTQLQIEISA-N 0 249.27 BB -0.143 2 Anodyne low BBAALN O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1Cc1cccnc1 O=C(O)C[C@H]1C(=O)NCCN1Cc1cccnc1 ZINC000001926623 94/12/07/383941207 BJWIGOXECUMUEU-JTQLQIEISA-N 0 249.27 BB -0.143 2 Anodyne low BBAALN O=C([O-])C[C@H]1C(=O)NCC[N@H+]1Cc1cccnc1 O=C(O)C[C@H]1C(=O)NCCN1Cc1cccnc1 ZINC000001926623 94/12/02/383941202 BJWIGOXECUMUEU-JTQLQIEISA-N -1 249.27 BB -0.143 0 Anodyne ref BBAARM O=C([O-])C[C@H]1C(=O)NCCN1Cc1cccnc1 CC(C)N1CCNC(=O)[C@H]1CC(=O)O ZINC000001926642 94/02/51/383940251 NJZMHNHROHOKDK-SSDOTTSWSA-N -1 200.238 BB -0.33 1 Anodyne mid BBAAMM CC(C)N1CCNC(=O)[C@H]1CC(=O)[O-] CC(C)N1CCNC(=O)[C@H]1CC(=O)O ZINC000001926642 94/02/46/383940246 NJZMHNHROHOKDK-SSDOTTSWSA-N 0 200.238 BB -0.33 1 Anodyne mid BBAAMN CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-] CC(C)N1CCNC(=O)[C@H]1CC(=O)O ZINC000001926642 94/02/23/383940223 NJZMHNHROHOKDK-SSDOTTSWSA-N 0 200.238 BB -0.33 0 Anodyne ref BBAARN CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-] CC(C)N1CCNC(=O)[C@@H]1CC(=O)O ZINC000001926644 94/08/75/383940875 NJZMHNHROHOKDK-ZETCQYMHSA-N -1 200.238 BB -0.33 1 Anodyne mid BBAAMM CC(C)N1CCNC(=O)[C@@H]1CC(=O)[O-] CC(C)N1CCNC(=O)[C@@H]1CC(=O)O ZINC000001926644 94/08/70/383940870 NJZMHNHROHOKDK-ZETCQYMHSA-N 0 200.238 BB -0.33 1 Anodyne mid BBAAMN CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] CC(C)N1CCNC(=O)[C@@H]1CC(=O)O ZINC000001926644 94/08/63/383940863 NJZMHNHROHOKDK-ZETCQYMHSA-N 0 200.238 BB -0.33 0 Anodyne ref BBAARN CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccccn1 ZINC000001926646 47/76/12/182477612 KSJFPZXJBYGPBX-SNVBAGLBSA-N -1 249.27 BB -0.143 0 Anodyne ref BBAARM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccccn1 O=C(O)C[C@H]1C(=O)NCCN1Cc1ccccn1 ZINC000001926648 94/09/03/383940903 KSJFPZXJBYGPBX-JTQLQIEISA-N -1 249.27 BB -0.143 0 Anodyne ref BBAARM O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccccn1 CCOC(=O)CCC(=O)N1CCNC(=O)C1 ZINC000002684804 27/51/06/188275106 VEZADLWUKTUNMP-UHFFFAOYSA-N 0 228.248 BB -0.712 0 Anodyne ref BBAARN CCOC(=O)CCC(=O)N1CCNC(=O)C1 Nc1ccccc1C(=O)N1CCNC(=O)C1 ZINC000002701921 72/65/64/342726564 OHLNGCFPKOPOOS-UHFFFAOYSA-N 0 219.244 BB -0.159 0 Anodyne ref BBAARN Nc1ccccc1C(=O)N1CCNC(=O)C1 NC(N)=NS(=O)(=O)c1ccc(N)cc1 ZINC000003873927 32/31/19/181323119 BRBKOPJOKNSWSG-UHFFFAOYSA-N 1 214.25 BB -0.769 2 Mild low BBEALO NC(=[NH2+])NS(=O)(=O)c1ccc(N)cc1 world NC(N)=NS(=O)(=O)c1ccc(N)cc1 ZINC000003873927 32/31/16/181323116 BRBKOPJOKNSWSG-UHFFFAOYSA-N 0 214.25 BB -0.769 0 Mild ref BBEARN NC(N)=NS(=O)(=O)c1ccc(N)cc1 world NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1N ZINC000003885536 33/80/67/181338067 ILFJCRUUZHVFHE-UHFFFAOYSA-N -1 229.243 BB -0.051 3 Mild high BBEAHM Nc1c(-c2nc3ccccc3[nH]2)c([O-])cn1N NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1N ZINC000003885536 33/80/65/181338065 ILFJCRUUZHVFHE-UHFFFAOYSA-N 0 229.243 BB -0.051 0 Mild ref BBEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1N O=C(O)C[C@H]1N[C@@H]2CCCC[C@H]2NC1=O ZINC000004499663 98/45/86/383984586 JFDHXGDWYYXPNV-BWZBUEFSSA-N -1 212.249 BB -0.14 1 Anodyne mid BBABMM O=C([O-])C[C@H]1N[C@@H]2CCCC[C@H]2NC1=O O=C(O)C[C@H]1N[C@@H]2CCCC[C@H]2NC1=O ZINC000004499663 98/45/80/383984580 JFDHXGDWYYXPNV-BWZBUEFSSA-N 0 212.249 BB -0.14 0 Anodyne ref BBABRN O=C([O-])C[C@H]1[NH2+][C@@H]2CCCC[C@H]2NC1=O O=C(O)C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O ZINC000004499664 48/69/68/182486968 JFDHXGDWYYXPNV-GJMOJQLCSA-N -1 212.249 BB -0.14 1 Anodyne mid BBABMM O=C([O-])C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O O=C(O)C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O ZINC000004499664 48/69/66/182486966 JFDHXGDWYYXPNV-GJMOJQLCSA-N 0 212.249 BB -0.14 0 Anodyne ref BBABRN O=C([O-])C[C@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O O=C(O)C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O ZINC000004499666 56/67/76/387566776 JFDHXGDWYYXPNV-BIIVOSGPSA-N -1 212.249 BB -0.14 1 Anodyne mid BBABMM O=C([O-])C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O O=C(O)C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O ZINC000004499666 56/67/59/387566759 JFDHXGDWYYXPNV-BIIVOSGPSA-N 0 212.249 BB -0.14 0 Anodyne ref BBABRN O=C([O-])C[C@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O O=C(O)C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O ZINC000005828576 77/05/12/342770512 JFDHXGDWYYXPNV-RNJXMRFFSA-N -1 212.249 BB -0.14 1 Anodyne mid BBAAMM O=C([O-])C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O O=C(O)C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O ZINC000005828576 77/05/08/342770508 JFDHXGDWYYXPNV-RNJXMRFFSA-N 0 212.249 BB -0.14 0 Anodyne ref BBAARN O=C([O-])C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O COCCCN1C[C@@H](C(N)=O)CC1=O ZINC000012138132 23/46/66/174234666 SQNYJZLEICGPAN-ZETCQYMHSA-N 0 200.238 BB -0.643 0 Anodyne ref BBAARN COCCCN1C[C@@H](C(N)=O)CC1=O COCCCN1C[C@H](C(N)=O)CC1=O ZINC000012138133 23/57/23/174235723 SQNYJZLEICGPAN-SSDOTTSWSA-N 0 200.238 BB -0.643 0 Anodyne ref BBAARN COCCCN1C[C@H](C(N)=O)CC1=O O=C(O)C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O ZINC000013479814 36/13/05/384361305 JFDHXGDWYYXPNV-CSMHCCOUSA-N -1 212.249 BB -0.14 1 Anodyne mid BBAAMM O=C([O-])C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O O=C(O)C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O ZINC000013479814 36/12/95/384361295 JFDHXGDWYYXPNV-CSMHCCOUSA-N 0 212.249 BB -0.14 0 Anodyne ref BBAARN O=C([O-])C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O O=C(O)C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O ZINC000013479815 36/18/07/384361807 JFDHXGDWYYXPNV-FXQIFTODSA-N -1 212.249 BB -0.14 1 Anodyne mid BBAAMM O=C([O-])C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O O=C(O)C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O ZINC000013479815 36/18/06/384361806 JFDHXGDWYYXPNV-FXQIFTODSA-N 0 212.249 BB -0.14 0 Anodyne ref BBAARN O=C([O-])C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O CCCCOC(=O)C[C@H]1NCCNC1=O ZINC000035485735 85/99/70/383859970 PMBWQDCICUWYHX-MRVPVSSYSA-N 1 214.265 BB -0.192 2 Anodyne low BBAALO CCCCOC(=O)C[C@H]1[NH2+]CCNC1=O CCCCOC(=O)C[C@H]1NCCNC1=O ZINC000035485735 85/99/65/383859965 PMBWQDCICUWYHX-MRVPVSSYSA-N 0 214.265 BB -0.192 0 Anodyne ref BBAARN CCCCOC(=O)C[C@H]1NCCNC1=O CCCCOC(=O)C[C@@H]1NCCNC1=O ZINC000035485737 85/80/28/383858028 PMBWQDCICUWYHX-QMMMGPOBSA-N 1 214.265 BB -0.192 2 Anodyne low BBAALO CCCCOC(=O)C[C@@H]1[NH2+]CCNC1=O CCCCOC(=O)C[C@@H]1NCCNC1=O ZINC000035485737 85/80/16/383858016 PMBWQDCICUWYHX-QMMMGPOBSA-N 0 214.265 BB -0.192 0 Anodyne ref BBAARN CCCCOC(=O)C[C@@H]1NCCNC1=O CCCOC(=O)C[C@H]1NCCNC1=O ZINC000035679619 29/91/42/169299142 RTNSEXYFBJTZRF-SSDOTTSWSA-N 1 200.238 BB -0.582 2 Anodyne low BBAALO CCCOC(=O)C[C@H]1[NH2+]CCNC1=O CCCOC(=O)C[C@H]1NCCNC1=O ZINC000035679619 29/91/41/169299141 RTNSEXYFBJTZRF-SSDOTTSWSA-N 0 200.238 BB -0.582 0 Anodyne ref BBAARN CCCOC(=O)C[C@H]1NCCNC1=O CCCOC(=O)C[C@@H]1NCCNC1=O ZINC000035679621 29/90/92/169299092 RTNSEXYFBJTZRF-ZETCQYMHSA-N 1 200.238 BB -0.582 2 Anodyne low BBAALO CCCOC(=O)C[C@@H]1[NH2+]CCNC1=O CCCOC(=O)C[C@@H]1NCCNC1=O ZINC000035679621 29/90/91/169299091 RTNSEXYFBJTZRF-ZETCQYMHSA-N 0 200.238 BB -0.582 0 Anodyne ref BBAARN CCCOC(=O)C[C@@H]1NCCNC1=O CCOCCOC(=O)C[C@H]1NCCNC1=O ZINC000035681315 86/71/06/383867106 ORSZOFQTVIKQBI-MRVPVSSYSA-N 1 230.264 BB -0.956 2 Anodyne low BBAALO CCOCCOC(=O)C[C@H]1[NH2+]CCNC1=O CCOCCOC(=O)C[C@H]1NCCNC1=O ZINC000035681315 86/71/00/383867100 ORSZOFQTVIKQBI-MRVPVSSYSA-N 1 230.264 BB -0.956 0 Anodyne ref BBAARO CCOCCOC(=O)C[C@H]1NCCNC1=O CCOCCOC(=O)C[C@@H]1NCCNC1=O ZINC000035681316 86/71/29/383867129 ORSZOFQTVIKQBI-QMMMGPOBSA-N 1 230.264 BB -0.956 2 Anodyne low BBAALO CCOCCOC(=O)C[C@@H]1[NH2+]CCNC1=O CCOCCOC(=O)C[C@@H]1NCCNC1=O ZINC000035681316 86/71/27/383867127 ORSZOFQTVIKQBI-QMMMGPOBSA-N 1 230.264 BB -0.956 0 Anodyne ref BBAARO CCOCCOC(=O)C[C@@H]1NCCNC1=O CC(C)COC(=O)C[C@H]1NCCNC1=O ZINC000035817573 02/02/04/167020204 BROIIRIOIQDJFJ-MRVPVSSYSA-N 1 214.265 BB -0.336 2 Anodyne low BBAALO CC(C)COC(=O)C[C@H]1[NH2+]CCNC1=O CC(C)COC(=O)C[C@H]1NCCNC1=O ZINC000035817573 02/02/01/167020201 BROIIRIOIQDJFJ-MRVPVSSYSA-N 0 214.265 BB -0.336 0 Anodyne ref BBAARN CC(C)COC(=O)C[C@H]1NCCNC1=O CC(C)COC(=O)C[C@@H]1NCCNC1=O ZINC000035817577 02/09/21/167020921 BROIIRIOIQDJFJ-QMMMGPOBSA-N 1 214.265 BB -0.336 2 Anodyne low BBAALO CC(C)COC(=O)C[C@@H]1[NH2+]CCNC1=O CC(C)COC(=O)C[C@@H]1NCCNC1=O ZINC000035817577 02/09/20/167020920 BROIIRIOIQDJFJ-QMMMGPOBSA-N 0 214.265 BB -0.336 0 Anodyne ref BBAARN CC(C)COC(=O)C[C@@H]1NCCNC1=O CC[C@@H](C)OC(=O)C[C@H]1NCCNC1=O ZINC000035826281 76/09/69/170760969 YMTCHBJQWTUIGW-HTQZYQBOSA-N 1 214.265 BB -0.194 2 Anodyne low BBAALO CC[C@@H](C)OC(=O)C[C@H]1[NH2+]CCNC1=O CC[C@@H](C)OC(=O)C[C@H]1NCCNC1=O ZINC000035826281 76/09/66/170760966 YMTCHBJQWTUIGW-HTQZYQBOSA-N 0 214.265 BB -0.194 0 Anodyne ref BBAARN CC[C@@H](C)OC(=O)C[C@H]1NCCNC1=O CC[C@H](C)OC(=O)C[C@H]1NCCNC1=O ZINC000035826283 35/14/82/171351482 YMTCHBJQWTUIGW-JGVFFNPUSA-N 1 214.265 BB -0.194 2 Anodyne low BBAALO CC[C@H](C)OC(=O)C[C@H]1[NH2+]CCNC1=O CC[C@H](C)OC(=O)C[C@H]1NCCNC1=O ZINC000035826283 35/14/80/171351480 YMTCHBJQWTUIGW-JGVFFNPUSA-N 0 214.265 BB -0.194 0 Anodyne ref BBAARN CC[C@H](C)OC(=O)C[C@H]1NCCNC1=O CC[C@@H](C)OC(=O)C[C@@H]1NCCNC1=O ZINC000035826284 30/49/16/343304916 YMTCHBJQWTUIGW-SFYZADRCSA-N 1 214.265 BB -0.194 2 Anodyne low BBAALO CC[C@@H](C)OC(=O)C[C@@H]1[NH2+]CCNC1=O CC[C@@H](C)OC(=O)C[C@@H]1NCCNC1=O ZINC000035826284 30/49/13/343304913 YMTCHBJQWTUIGW-SFYZADRCSA-N 0 214.265 BB -0.194 0 Anodyne ref BBAARN CC[C@@H](C)OC(=O)C[C@@H]1NCCNC1=O CC[C@H](C)OC(=O)C[C@@H]1NCCNC1=O ZINC000035826285 35/11/39/171351139 YMTCHBJQWTUIGW-YUMQZZPRSA-N 1 214.265 BB -0.194 2 Anodyne low BBAALO CC[C@H](C)OC(=O)C[C@@H]1[NH2+]CCNC1=O CC[C@H](C)OC(=O)C[C@@H]1NCCNC1=O ZINC000035826285 35/11/36/171351136 YMTCHBJQWTUIGW-YUMQZZPRSA-N 0 214.265 BB -0.194 0 Anodyne ref BBAARN CC[C@H](C)OC(=O)C[C@@H]1NCCNC1=O CC(C)OC(=O)C[C@H]1NCCNC1=O ZINC000035999494 16/19/63/167161963 DBZNRWHYSVZXHR-SSDOTTSWSA-N 1 200.238 BB -0.584 2 Anodyne low BBAALO CC(C)OC(=O)C[C@H]1[NH2+]CCNC1=O CC(C)OC(=O)C[C@H]1NCCNC1=O ZINC000035999494 16/19/57/167161957 DBZNRWHYSVZXHR-SSDOTTSWSA-N 0 200.238 BB -0.584 0 Anodyne ref BBAARN CC(C)OC(=O)C[C@H]1NCCNC1=O CC(C)OC(=O)C[C@@H]1NCCNC1=O ZINC000035999495 16/22/12/167162212 DBZNRWHYSVZXHR-ZETCQYMHSA-N 1 200.238 BB -0.584 2 Anodyne low BBAALO CC(C)OC(=O)C[C@@H]1[NH2+]CCNC1=O CC(C)OC(=O)C[C@@H]1NCCNC1=O ZINC000035999495 16/22/10/167162210 DBZNRWHYSVZXHR-ZETCQYMHSA-N 0 200.238 BB -0.584 0 Anodyne ref BBAARN CC(C)OC(=O)C[C@@H]1NCCNC1=O O=C(C[C@H]1NCCNC1=O)OC[C@H]1CCCO1 ZINC000036091336 03/21/47/182032147 AFRAXTHYXDRJLK-RKDXNWHRSA-N 1 242.275 BB -0.813 2 Anodyne low BBAALO O=C(C[C@H]1[NH2+]CCNC1=O)OC[C@H]1CCCO1 O=C(C[C@H]1NCCNC1=O)OC[C@H]1CCCO1 ZINC000036091336 03/21/46/182032146 AFRAXTHYXDRJLK-RKDXNWHRSA-N 0 242.275 BB -0.813 0 Anodyne ref BBAARN O=C(C[C@H]1NCCNC1=O)OC[C@H]1CCCO1 O=C(C[C@H]1NCCNC1=O)OC[C@@H]1CCCO1 ZINC000036091337 03/16/70/182031670 AFRAXTHYXDRJLK-DTWKUNHWSA-N 1 242.275 BB -0.813 2 Anodyne low BBAALO O=C(C[C@H]1[NH2+]CCNC1=O)OC[C@@H]1CCCO1 O=C(C[C@H]1NCCNC1=O)OC[C@@H]1CCCO1 ZINC000036091337 03/16/69/182031669 AFRAXTHYXDRJLK-DTWKUNHWSA-N 0 242.275 BB -0.813 0 Anodyne ref BBAARN O=C(C[C@H]1NCCNC1=O)OC[C@@H]1CCCO1 O=C(C[C@@H]1NCCNC1=O)OC[C@H]1CCCO1 ZINC000036091339 02/42/17/182024217 AFRAXTHYXDRJLK-BDAKNGLRSA-N 1 242.275 BB -0.813 2 Anodyne low BBAALO O=C(C[C@@H]1[NH2+]CCNC1=O)OC[C@H]1CCCO1 O=C(C[C@@H]1NCCNC1=O)OC[C@H]1CCCO1 ZINC000036091339 02/42/16/182024216 AFRAXTHYXDRJLK-BDAKNGLRSA-N 0 242.275 BB -0.813 0 Anodyne ref BBAARN O=C(C[C@@H]1NCCNC1=O)OC[C@H]1CCCO1 O=C(C[C@@H]1NCCNC1=O)OC[C@@H]1CCCO1 ZINC000036091340 02/36/41/182023641 AFRAXTHYXDRJLK-IUCAKERBSA-N 1 242.275 BB -0.813 2 Anodyne low BBAALO O=C(C[C@@H]1[NH2+]CCNC1=O)OC[C@@H]1CCCO1 O=C(C[C@@H]1NCCNC1=O)OC[C@@H]1CCCO1 ZINC000036091340 02/36/37/182023637 AFRAXTHYXDRJLK-IUCAKERBSA-N 0 242.275 BB -0.813 0 Anodyne ref BBAARN O=C(C[C@@H]1NCCNC1=O)OC[C@@H]1CCCO1 Cc1c(C(=O)NCc2nc[nH]n2)cnn1C ZINC000037921033 33/53/83/398335383 UZSNSQDHTZORBW-UHFFFAOYSA-N 0 220.236 BB -0.223 1 Anodyne mid BBABMN Cc1c(C(=O)NCc2nnc[nH]2)cnn1C Cc1c(C(=O)NCc2nc[nH]n2)cnn1C ZINC000037921033 33/53/82/398335382 UZSNSQDHTZORBW-UHFFFAOYSA-N 0 220.236 BB -0.223 0 Anodyne ref BBABRN Cc1c(C(=O)NCc2nc[nH]n2)cnn1C Cc1nc(N2CC[C@H](N)C2)[nH]c(=O)c1C ZINC000045946906 00/32/16/180003216 YWZUVFWHGWDSGQ-QMMMGPOBSA-N -1 208.265 BB -0.076 3 Anodyne high BBAAHM Cc1nc(N2CC[C@H](N)C2)[n-]c(=O)c1C Cc1nc(N2CC[C@H](N)C2)[nH]c(=O)c1C ZINC000045946906 00/32/14/180003214 YWZUVFWHGWDSGQ-QMMMGPOBSA-N 0 208.265 BB -0.076 1 Anodyne mid BBAAMN Cc1nc(N2CC[C@H]([NH3+])C2)[n-]c(=O)c1C Cc1nc(N2CC[C@H](N)C2)[nH]c(=O)c1C ZINC000045946906 00/32/11/180003211 YWZUVFWHGWDSGQ-QMMMGPOBSA-N 1 208.265 BB -0.076 0 Anodyne ref BBAARO Cc1nc(N2CC[C@H]([NH3+])C2)[nH]c(=O)c1C Cc1nc(N2CC[C@@H](N)C2)[nH]c(=O)c1C ZINC000045946909 00/37/59/180003759 YWZUVFWHGWDSGQ-MRVPVSSYSA-N -1 208.265 BB -0.076 3 Anodyne high BBAAHM Cc1nc(N2CC[C@@H](N)C2)[n-]c(=O)c1C Cc1nc(N2CC[C@@H](N)C2)[nH]c(=O)c1C ZINC000045946909 00/37/55/180003755 YWZUVFWHGWDSGQ-MRVPVSSYSA-N 0 208.265 BB -0.076 1 Anodyne mid BBAAMN Cc1nc(N2CC[C@@H]([NH3+])C2)[n-]c(=O)c1C Cc1nc(N2CC[C@@H](N)C2)[nH]c(=O)c1C ZINC000045946909 00/37/53/180003753 YWZUVFWHGWDSGQ-MRVPVSSYSA-N 1 208.265 BB -0.076 0 Anodyne ref BBAARO Cc1nc(N2CC[C@@H]([NH3+])C2)[nH]c(=O)c1C Cc1nn(C)c(N2CCNCC2)c1C=O ZINC000070609484 36/59/78/259365978 WPZUHKMTJGCHQJ-UHFFFAOYSA-N 0 208.265 BB -0.049 3 Anodyne high BBAAHN Cc1nn(C)c(N2CCNCC2)c1C=O Cc1nn(C)c(N2CCNCC2)c1C=O ZINC000070609484 36/59/77/259365977 WPZUHKMTJGCHQJ-UHFFFAOYSA-N 1 208.265 BB -0.049 0 Anodyne ref BBAARO Cc1nn(C)c(N2CC[NH2+]CC2)c1C=O CCOC(=O)N1Cc2nc(N)[nH]c(=O)c2C1 ZINC000085344237 24/11/32/170241132 YLRDJBXRIYUAPF-UHFFFAOYSA-N -1 224.22 BB -0.176 3 Anodyne high BBABHM CCOC(=O)N1Cc2nc(N)[n-]c(=O)c2C1 CCOC(=O)N1Cc2nc(N)[nH]c(=O)c2C1 ZINC000085344237 24/11/31/170241131 YLRDJBXRIYUAPF-UHFFFAOYSA-N -1 224.22 BB -0.176 0 Anodyne ref BBABRM CCOC(=O)N1Cc2nc(N)[nH]c(=O)c2C1 Cc1c(C(=O)N2CCN(C)C(=O)C2)cnn1C ZINC000152775853 34/45/94/388344594 DBZWNTNWYOQZEO-UHFFFAOYSA-N 0 236.275 BB -0.357 0 Anodyne ref BBABRN Cc1c(C(=O)N2CCN(C)C(=O)C2)cnn1C CN1CCN(C(=O)c2ccc[nH]2)CC1=O ZINC000169934352 07/38/52/173073852 LPEVEYUCHHYYHM-UHFFFAOYSA-N 0 207.233 BB -0.071 0 Anodyne ref BBABRN CN1CCN(C(=O)c2ccc[nH]2)CC1=O O=C(O)C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O ZINC000245377225 16/28/92/398162892 JFDHXGDWYYXPNV-PRJMDXOYSA-N -1 212.249 BB -0.14 1 Anodyne mid BBAAMM O=C([O-])C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O