Cn1c(=O)c2c(ncn2CCCl)n(C)c1=O ZINC000000000999 17/65/18/560176518 QCIARNIKNKKHFH-UHFFFAOYSA-N 0 242.666 BB -0.328 0 Reactive ref BBGARN Cn1c(=O)c2c(ncn2CCCl)n(C)c1=O in-vitro CC(=O)Nc1ccc(S(=O)(=O)NN)cc1 ZINC000000032152 24/43/86/187244386 PBCWYAIMPZBEGL-UHFFFAOYSA-N 0 229.261 BB -0.203 0 Anodyne ref BBAARN CC(=O)Nc1ccc(S(=O)(=O)NN)cc1 Cn1cc(Br)c(=O)n(C)c1=O ZINC000000161371 45/32/01/188453201 QITOSXPGCRFMDG-UHFFFAOYSA-N 0 219.038 BB -0.153 0 Anodyne ref BBAARN Cn1cc(Br)c(=O)n(C)c1=O 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 Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1C ZINC000000330375 06/03/18/180060318 RIUBVVOTTNDDIR-UHFFFAOYSA-N 0 220.232 BB -0.356 0 Anodyne ref BBAARN Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1C CSc1nc(N(C)N)cc(=O)n1C ZINC000000330448 68/33/66/342683366 OSOIGANFPZYUKE-UHFFFAOYSA-N 1 200.267 BB -0.188 2 Anodyne low BBAALO CSc1nc(N(C)[NH3+])cc(=O)n1C CSc1nc(N(C)N)cc(=O)n1C ZINC000000330448 68/33/65/342683365 OSOIGANFPZYUKE-UHFFFAOYSA-N 0 200.267 BB -0.188 0 Anodyne ref BBAARN CSc1nc(N(C)N)cc(=O)n1C CC(=O)Nc1ncn(C)c(=O)c1NC(C)=O ZINC000000330482 68/33/57/342683357 WSSOTIJPJIJICD-UHFFFAOYSA-N 0 224.22 BB -0.303 0 Anodyne ref BBAARN CC(=O)Nc1ncn(C)c(=O)c1NC(C)=O CCC(=O)Nc1c(NC)n(C)c(=O)[nH]c1=O ZINC000000330485 24/13/78/168241378 KYKRUMIOAZEHEM-UHFFFAOYSA-N -1 226.236 BB -0.536 3 Anodyne high BBAAHM CCC(=O)Nc1c(NC)n(C)c(=O)[n-]c1=O CCC(=O)Nc1c(NC)n(C)c(=O)[nH]c1=O ZINC000000330485 24/13/76/168241376 KYKRUMIOAZEHEM-UHFFFAOYSA-N 0 226.236 BB -0.536 0 Anodyne ref BBAARN CCC(=O)Nc1c(NC)n(C)c(=O)[nH]c1=O CCOC(=O)Nc1c(NC)n(C)c(=O)[nH]c1=O ZINC000000330566 24/30/17/170243017 WHUUJHFZLOICIP-UHFFFAOYSA-N -1 242.235 BB -0.316 3 Anodyne high BBAAHM CCOC(=O)Nc1c(NC)n(C)c(=O)[n-]c1=O CCOC(=O)Nc1c(NC)n(C)c(=O)[nH]c1=O ZINC000000330566 24/30/15/170243015 WHUUJHFZLOICIP-UHFFFAOYSA-N 0 242.235 BB -0.316 0 Anodyne ref BBAARN CCOC(=O)Nc1c(NC)n(C)c(=O)[nH]c1=O CCOC(=O)Nc1c(NC)[nH]c(=O)n(C)c1=O ZINC000000330569 24/34/09/170243409 SSPFGVXZJSOLSV-UHFFFAOYSA-N 0 242.235 BB -0.316 0 Anodyne ref BBAARN CCOC(=O)Nc1c(NC)[nH]c(=O)n(C)c1=O Cn1c(=O)c2c(nc(Cl)n2C)n(C)c1=O ZINC000000330576 61/02/15/180610215 HGKPGBJNNATDRR-UHFFFAOYSA-N 0 228.639 BB -0.376 0 Anodyne ref BBAARN Cn1c(=O)c2c(nc(Cl)n2C)n(C)c1=O in-vitro COC(CN(C)c1c[nH]c(=O)[nH]c1=O)OC ZINC000000330582 95/73/20/173957320 JUWOXXIHFUSNOJ-UHFFFAOYSA-N -1 229.236 BB -0.882 3 Anodyne high BBAAHM COC(CN(C)c1c[nH]c(=O)[n-]c1=O)OC COC(CN(C)c1c[nH]c(=O)[nH]c1=O)OC ZINC000000330582 95/73/17/173957317 JUWOXXIHFUSNOJ-UHFFFAOYSA-N 0 229.236 BB -0.882 0 Anodyne ref BBAARN COC(CN(C)c1c[nH]c(=O)[nH]c1=O)OC CCCc1cnc2c(n1)c(=O)n(C)c(=O)n2C ZINC000000332369 61/82/85/517618285 IJBBCIRSKVBCLU-UHFFFAOYSA-N 0 234.259 BB -0.02 0 Anodyne ref BBAARN CCCc1cnc2c(n1)c(=O)n(C)c(=O)n2C CCc1cnc2c(n1)c(=O)n(C)c(=O)n2C ZINC000000332372 68/35/91/342683591 INYUONSBRJLXCU-UHFFFAOYSA-N 0 220.232 BB -0.41 0 Anodyne ref BBAARN CCc1cnc2c(n1)c(=O)n(C)c(=O)n2C Cc1cnc2c(n1)c(=O)n(C)c(=O)n2C ZINC000000332373 68/35/57/342683557 GUUUFAYLXVPICY-UHFFFAOYSA-N 0 206.205 BB -0.664 0 Anodyne ref BBAARN Cc1cnc2c(n1)c(=O)n(C)c(=O)n2C CC(C)(C)OC(=O)Cn1ncn(N)c1=O ZINC000000335053 68/38/91/342683891 GAFGROFTIQHAAG-UHFFFAOYSA-N 0 214.225 BB -0.9 0 Anodyne ref BBAARN CC(C)(C)OC(=O)Cn1ncn(N)c1=O OC12CC3(O)CC(O)(C1)CC(O)(C2)C3 ZINC000000336282 02/40/88/183024088 CPWNSSYGNSROKX-UHFFFAOYSA-N 0 200.234 BB -0.708 0 Anodyne ref BBAARN OC12CC3(O)CC(O)(C1)CC(O)(C2)C3 CCn1c(N)c(C(C)=O)c(=O)n(CC)c1=O ZINC000000336340 14/60/48/172146048 DHTKJTXSQPVFBQ-UHFFFAOYSA-N 0 225.248 BB -0.165 0 Anodyne ref BBAARN CCn1c(N)c(C(C)=O)c(=O)n(CC)c1=O CSC(=S)c1c(N)n(C)c(=O)n(C)c1=O ZINC000000337098 85/59/97/383855997 MZESBCNFBNEKDE-UHFFFAOYSA-N 0 245.329 BB -0.295 0 Anodyne ref BBAARN CSC(=S)c1c(N)n(C)c(=O)n(C)c1=O NC(=O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000000337990 24/75/69/181247569 HLGWEIMMQZUCMM-UHFFFAOYSA-N 0 203.201 BB -0.049 0 Anodyne ref BBAARN NC(=O)Cc1nc2ccccc2c(=O)[nH]1 COc1ncc(-c2cnc(OC)nn2)nn1 ZINC000000343420 39/72/44/175397244 APSPURUVIHPFSH-UHFFFAOYSA-N 0 220.192 BB -0.259 0 Anodyne ref BBAARN COc1ncc(-c2cnc(OC)nn2)nn1 CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O ZINC000000897244 00/49/16/168004916 FKENQMMABCRJMK-RITPCOANSA-N -1 233.245 BB -0.795 0 Anodyne ref BBAARM CC1(C)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O fda CNc1[nH]c(=O)[nH]c(=O)c1NC(=O)OC ZINC000000967236 88/65/53/383886553 WVEHCZRQQHKOEE-UHFFFAOYSA-N -1 214.181 BB -0.717 1 Anodyne mid BBAAMM CNc1[nH]c(=O)[n-]c(=O)c1NC(=O)OC CNc1[nH]c(=O)[nH]c(=O)c1NC(=O)OC ZINC000000967236 88/65/49/383886549 WVEHCZRQQHKOEE-UHFFFAOYSA-N 0 214.181 BB -0.717 0 Anodyne ref BBAARN CNc1[nH]c(=O)[nH]c(=O)c1NC(=O)OC CCOC(=O)Nc1c(N)nc(N)[nH]c1=O ZINC000000967240 24/30/57/170243057 DSYCIBOZIQZJLR-UHFFFAOYSA-N -1 213.197 BB -0.497 3 Anodyne high BBAAHM CCOC(=O)Nc1c(N)nc(N)[n-]c1=O CCOC(=O)Nc1c(N)nc(N)[nH]c1=O ZINC000000967240 24/30/56/170243056 DSYCIBOZIQZJLR-UHFFFAOYSA-N 0 213.197 BB -0.497 1 Anodyne mid BBAAMN CCOC(=O)Nc1c(N)nc(N)[nH]c1=O CCOC(=O)Nc1c(N)nc(N)[nH]c1=O ZINC000000967240 24/30/54/170243054 DSYCIBOZIQZJLR-UHFFFAOYSA-N 0 213.197 BB -0.497 0 Anodyne ref BBAARN CCOC(=O)Nc1c(N)[nH]c(N)nc1=O Nc1[nH]c(=O)[nH]c(=O)c1Br ZINC000000967243 69/50/85/342695085 FSLBEEVCUZFKRL-UHFFFAOYSA-N -1 205.999 BB -0.592 1 Anodyne mid BBAAMM Nc1[nH]c(=O)[n-]c(=O)c1Br in-vivo Nc1[nH]c(=O)[nH]c(=O)c1Br ZINC000000967243 69/50/84/342695084 FSLBEEVCUZFKRL-UHFFFAOYSA-N 0 205.999 BB -0.592 0 Anodyne ref BBAARN Nc1[nH]c(=O)[nH]c(=O)c1Br in-vivo Cc1nc(N)n(N)c(=O)c1Br ZINC000000967411 69/49/76/342694976 JPOGVWCIWYTWAR-UHFFFAOYSA-N 0 219.042 BB -0.39 0 Anodyne ref BBAARN Cc1nc(N)n(N)c(=O)c1Br CCOC(=O)c1nnn(-c2nonc2N)c1C ZINC000000967432 30/96/60/170309660 KYZMFTONAWIHRJ-UHFFFAOYSA-N 0 238.207 BB -0.282 0 Anodyne ref BBAARN CCOC(=O)c1nnn(-c2nonc2N)c1C Nc1nc(=O)[nH]cc1I ZINC000000967457 69/48/79/342694879 UFVWJVAMULFOMC-UHFFFAOYSA-N -1 237.0 BB -0.043 3 Anodyne high BBAAHM Nc1nc(=O)[n-]cc1I Nc1nc(=O)[nH]cc1I ZINC000000967457 69/48/76/342694876 UFVWJVAMULFOMC-UHFFFAOYSA-N 0 237.0 BB -0.043 0 Anodyne ref BBAARN Nc1nc(=O)[nH]cc1I CC1(C)S[C@@H]2[C@@H](N)C(=O)N2[C@@H]1C(=O)O ZINC000001529560 90/23/68/383902368 NGHVIOIJCVXTGV-MRKVFDINSA-N -1 216.262 BB -0.539 1 Anodyne mid BBAAMM CC1(C)S[C@@H]2[C@@H](N)C(=O)N2[C@@H]1C(=O)[O-] CC1(C)S[C@@H]2[C@@H](N)C(=O)N2[C@@H]1C(=O)O ZINC000001529560 90/23/62/383902362 NGHVIOIJCVXTGV-MRKVFDINSA-N 0 216.262 BB -0.539 0 Anodyne ref BBAARN CC1(C)S[C@@H]2[C@@H]([NH3+])C(=O)N2[C@@H]1C(=O)[O-] C[C@H](NC(=O)C(=O)NN)c1ccccc1 ZINC000001621744 18/31/05/560183105 UQXPGBTUPFWHEF-ZETCQYMHSA-N 0 207.233 BB -0.146 0 Reactive ref BBGARN C[C@H](NC(=O)C(=O)NN)c1ccccc1 in-vitro N#Cc1c(N)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000001660393 07/73/46/181077346 ZGVCESZATUMTIM-UHFFFAOYSA-N 0 202.173 BB -0.44 0 Mild ref BBEARN N#Cc1c(N)[n+]([O-])c2ccccc2[n+]1[O-] in-vitro C[C@@H](NC(=O)C(=O)NN)c1ccccc1 ZINC000001695252 18/40/27/560184027 UQXPGBTUPFWHEF-SSDOTTSWSA-N 0 207.233 BB -0.146 0 Reactive ref BBGARN C[C@@H](NC(=O)C(=O)NN)c1ccccc1 in-vitro 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-] CSc1nc(NCCO)cc(=O)n1C ZINC000002023480 71/46/37/342714637 FWTIWXZTNRFNOE-UHFFFAOYSA-N 0 215.278 BB -0.094 0 Anodyne ref BBAARN CSc1nc(NCCO)cc(=O)n1C CCOC(=O)N(C)c1c(NC)[nH]c(=O)[nH]c1=O ZINC000002023525 23/75/13/170237513 XFEANDFHBNAGGC-UHFFFAOYSA-N -1 242.235 BB -0.302 1 Anodyne mid BBAAMM CCOC(=O)N(C)c1c(NC)[nH]c(=O)[n-]c1=O CCOC(=O)N(C)c1c(NC)[nH]c(=O)[nH]c1=O ZINC000002023525 23/75/12/170237512 XFEANDFHBNAGGC-UHFFFAOYSA-N 0 242.235 BB -0.302 0 Anodyne ref BBAARN CCOC(=O)N(C)c1c(NC)[nH]c(=O)[nH]c1=O Nc1ccc[n+]([O-])c1-c1c(N)ccc[n+]1[O-] ZINC000002023785 71/47/17/342714717 YRYLHLAHLIAPQS-UHFFFAOYSA-N 0 218.216 BB -0.215 0 Anodyne ref BBAARN Nc1ccc[n+]([O-])c1-c1c(N)ccc[n+]1[O-] NC(=O)C(=O)Nc1ccccc1C(=O)O ZINC000002023959 21/29/84/181212984 ALUPBGJAJSDFFP-UHFFFAOYSA-N -1 208.173 BB -0.191 0 Anodyne ref BBAARM NC(=O)C(=O)Nc1ccccc1C(=O)[O-] CC1(C)CC(=O)C(=CNNCCO)C(=O)C1 ZINC000002026858 88/28/89/167882889 KWXJXWWONHJIBS-UHFFFAOYSA-N 0 226.276 BB -0.085 0 Mild ref BBEARN CC1(C)CC(=O)C(=CNNCCO)C(=O)C1 O=C(NCCCO)C(=O)NCc1ccncc1 ZINC000002028721 16/95/33/182169533 HCTSVWFPBIROKE-UHFFFAOYSA-N 0 237.259 BB -0.804 0 Anodyne ref BBAARN O=C(NCCCO)C(=O)NCc1ccncc1 CC1(C)S[C@@H]2[C@@H](N)C(=O)N2[C@H]1C(=O)O ZINC000002539628 27/48/73/188274873 NGHVIOIJCVXTGV-RVJQKOHUSA-N -1 216.262 BB -0.539 1 Anodyne mid BBAAMM CC1(C)S[C@@H]2[C@@H](N)C(=O)N2[C@H]1C(=O)[O-] CC1(C)S[C@@H]2[C@@H](N)C(=O)N2[C@H]1C(=O)O ZINC000002539628 27/48/71/188274871 NGHVIOIJCVXTGV-RVJQKOHUSA-N -1 216.262 BB -0.539 0 Anodyne ref BBAARM CC1(C)S[C@@H]2[C@@H]([NH3+])C(=O)N2[C@H]1C(=O)[O-] CC1(C)[C@H](C(=O)O)N2C(=O)C[C@@H]2S1(=O)=O ZINC000002548423 00/49/84/168004984 FKENQMMABCRJMK-WDSKDSINSA-N -1 233.245 BB -0.795 0 Anodyne ref BBAARM CC1(C)[C@H](C(=O)[O-])N2C(=O)C[C@@H]2S1(=O)=O COC(CNc1c[nH]c(=O)[nH]c1=O)OC ZINC000002576764 72/52/03/342725203 SJKYHUUYGOJNQX-UHFFFAOYSA-N -1 215.209 BB -0.906 3 Anodyne high BBAAHM COC(CNc1c[nH]c(=O)[n-]c1=O)OC COC(CNc1c[nH]c(=O)[nH]c1=O)OC ZINC000002576764 72/52/01/342725201 SJKYHUUYGOJNQX-UHFFFAOYSA-N 0 215.209 BB -0.906 0 Anodyne ref BBAARN COC(CNc1c[nH]c(=O)[nH]c1=O)OC CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O ZINC000003860188 22/28/55/358222855 NGHVIOIJCVXTGV-ALEPSDHESA-N -1 216.262 BB -0.539 1 Anodyne mid BBAAMM CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)[O-] world CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O ZINC000003860188 22/28/45/358222845 NGHVIOIJCVXTGV-ALEPSDHESA-N 0 216.262 BB -0.539 0 Anodyne ref BBAARN CC1(C)S[C@@H]2[C@H]([NH3+])C(=O)N2[C@H]1C(=O)[O-] world CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@@H]1C(=O)O ZINC000003869358 27/51/79/188275179 NGHVIOIJCVXTGV-ZMIZWQJLSA-N -1 216.262 BB -0.539 1 Anodyne mid BBAAMM CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@@H]1C(=O)[O-] CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@@H]1C(=O)O ZINC000003869358 27/51/77/188275177 NGHVIOIJCVXTGV-ZMIZWQJLSA-N 0 216.262 BB -0.539 0 Anodyne ref BBAARN CC1(C)S[C@@H]2[C@H]([NH3+])C(=O)N2[C@@H]1C(=O)[O-] CCNc1[nH]c(=O)n(C)c(=O)c1[N+](=O)[O-] ZINC000004085842 17/05/11/170170511 XDLRGGOOLPRLIJ-UHFFFAOYSA-N -1 214.181 BB -0.586 1 Bother mid BBBAMM CCNc1[n-]c(=O)n(C)c(=O)c1[N+](=O)[O-] CCNc1[nH]c(=O)n(C)c(=O)c1[N+](=O)[O-] ZINC000004085842 17/05/07/170170507 XDLRGGOOLPRLIJ-UHFFFAOYSA-N 0 214.181 BB -0.586 0 Bother ref BBBARN CCNc1[nH]c(=O)n(C)c(=O)c1[N+](=O)[O-] CC(=O)CN(C)c1nc(N)[nH]c(=O)c1[N+](=O)[O-] ZINC000004085844 75/39/72/386753972 PJGDEDUDGXWLPM-UHFFFAOYSA-N 0 241.207 BB -0.714 1 Bother mid BBBAMN CC(=O)CN(C)c1nc(N)[nH]c(=O)c1[N+](=O)[O-] CC(=O)CN(C)c1nc(N)[nH]c(=O)c1[N+](=O)[O-] ZINC000004085844 75/39/56/386753956 PJGDEDUDGXWLPM-UHFFFAOYSA-N -1 241.207 BB -0.714 0 Bother ref BBBARM CC(=O)CN(C)c1nc(N)[n-]c(=O)c1[N+](=O)[O-] CNc1nc(N(C)C)[nH]c(=O)c1[N+](=O)[O-] ZINC000004085845 75/51/02/386755102 BJMDOQQABXMFRE-UHFFFAOYSA-N 0 213.197 BB -0.214 1 Bother mid BBBAMN CNc1nc(N(C)C)[nH]c(=O)c1[N+](=O)[O-] CNc1nc(N(C)C)[nH]c(=O)c1[N+](=O)[O-] ZINC000004085845 75/50/96/386755096 BJMDOQQABXMFRE-UHFFFAOYSA-N -1 213.197 BB -0.214 0 Bother ref BBBARM CNc1nc(N(C)C)[n-]c(=O)c1[N+](=O)[O-] O=[N+]([O-])c1cc([N+](=O)[O-])c(O)[n+]([O-])c1 ZINC000004086423 75/43/95/386754395 VAUCKYMJJFWMFQ-UHFFFAOYSA-N -1 201.094 BB -0.158 0 Bother ref BBBARM O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])[n+]([O-])c1 C=CCNc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C ZINC000004101032 78/09/91/386780991 UABXNRLTTGADEF-UHFFFAOYSA-N 0 240.219 BB -0.41 0 Mild ref BBEARN C=CCNc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C Nn1c(=S)[nH]nc(CCC(=O)O)c1=O ZINC000004555617 06/93/56/384069356 UDRLQUBSFWAFSO-UHFFFAOYSA-N -2 216.222 BB -0.968 1 Anodyne mid BBAAML Nn1c(=S)[n-]nc(CCC(=O)[O-])c1=O Nn1c(=S)[nH]nc(CCC(=O)O)c1=O ZINC000004555617 06/93/48/384069348 UDRLQUBSFWAFSO-UHFFFAOYSA-N -1 216.222 BB -0.968 0 Anodyne ref BBAARM Nn1c(=S)[nH]nc(CCC(=O)[O-])c1=O Cn1c(/C=N/N=C(N)N)c[n+]2ccccc12 ZINC000006072352 77/33/33/342773333 QTDVOSNJZZXXPC-AWNIVKPZSA-N 1 217.256 BB -0.629 3 Mild high BBEAHO Cn1c(C=NNC(=N)N)c[n+]2ccccc12 Cn1c(/C=N/N=C(N)N)c[n+]2ccccc12 ZINC000006072352 77/33/32/342773332 QTDVOSNJZZXXPC-AWNIVKPZSA-N 1 217.256 BB -0.629 0 Mild ref BBEARO Cn1c(C=NNC(N)=[NH2+])c[n+]2ccccc12 Cc1cccc2n(C)c(/C=N/N=C(N)N)c[n+]12 ZINC000006090425 22/86/72/179228672 MULVAFSVDBMSDJ-MKMNVTDBSA-N 1 231.283 BB -0.32 1 Mild mid BBEAMO Cc1cccc2n(C)c(C=NNC(=N)N)c[n+]12 Cc1cccc2n(C)c(/C=N/N=C(N)N)c[n+]12 ZINC000006090425 22/86/71/179228671 MULVAFSVDBMSDJ-MKMNVTDBSA-N 2 231.283 BB -0.32 0 Mild ref BBEARP Cc1cccc2n(C)c(C=NNC(N)=[NH2+])c[n+]12 O=c1[nH]ncc(N2CCOCC2)c1S ZINC000006493862 31/82/80/132318280 IMDSBVBPWWUMSC-UHFFFAOYSA-N 0 213.262 BB -0.105 2 Anodyne low BBAALN O=c1[nH]ncc(N2CCOCC2)c1S O=c1[nH]ncc(N2CCOCC2)c1S ZINC000006493862 31/82/79/132318279 IMDSBVBPWWUMSC-UHFFFAOYSA-N -1 213.262 BB -0.105 0 Anodyne ref BBAARM O=c1[nH]ncc(N2CCOCC2)c1[S-] O=C(O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000015080963 89/17/67/342891767 MICQDDOGLMOEIY-VIFPVBQESA-N 0 242.275 BB -0.748 2 Anodyne low BBAALN O=C([O-])[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 O=C(O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000015080963 89/17/63/342891763 MICQDDOGLMOEIY-VIFPVBQESA-N -1 242.275 BB -0.748 0 Anodyne ref BBAARM O=C([O-])[C@H]1CC(=O)N(CCN2CCOCC2)C1 O=C(O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000015080965 50/72/40/182507240 MICQDDOGLMOEIY-SECBINFHSA-N 0 242.275 BB -0.748 2 Anodyne low BBAALN O=C([O-])[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 O=C(O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000015080965 50/72/38/182507238 MICQDDOGLMOEIY-SECBINFHSA-N -1 242.275 BB -0.748 0 Anodyne ref BBAARM O=C([O-])[C@@H]1CC(=O)N(CCN2CCOCC2)C1 NC(=O)NC(=O)c1nc2ccccc2[nH]c1=O ZINC000017299557 25/59/16/181255916 QSCRRKZLIYRZAW-UHFFFAOYSA-N 0 232.199 BB -0.268 0 Anodyne ref BBAARN NC(=O)NC(=O)c1nc2ccccc2[nH]c1=O CC(=N\NC(N)=S)/C(C)=N/NC(N)=S ZINC000017326192 28/12/24/188281224 AFKZAGKQOZCAIZ-LQIBPGRFSA-N 0 232.338 BB -0.595 0 Mild ref BBEARN CC(=N\NC(N)=S)/C(C)=N/NC(N)=S Nc1nc(=O)c2cc([N+](=O)[O-])cnc2[nH]1 ZINC000018202610 65/80/63/344658063 AVWYTIWVBSPYAC-UHFFFAOYSA-N 0 207.149 BB -0.192 0 Bother ref BBBARN Nc1nc2ncc([N+](=O)[O-])cc2c(=O)[nH]1 Nc1nc(N)c([N+](=O)[O-])c(N)c1[N+](=O)[O-] ZINC000019800992 16/36/03/353163603 DBTJVFSKYZRHRQ-UHFFFAOYSA-N 0 214.141 BB -0.355 0 Bother ref BBBARN Nc1nc(N)c([N+](=O)[O-])c(N)c1[N+](=O)[O-] N[C@@](Br)(CO)Cc1cnc[nH]1 ZINC000019801411 95/82/80/342958280 VUTMAMJKTQMHAR-ZCFIWIBFSA-N 0 220.07 BB -0.006 0 Anodyne ref BBAARN N[C@@](Br)(CO)Cc1c[nH]cn1 N[C@](Br)(CO)Cc1cnc[nH]1 ZINC000019801413 66/17/81/181661781 VUTMAMJKTQMHAR-LURJTMIESA-N 0 220.07 BB -0.006 0 Anodyne ref BBAARN N[C@](Br)(CO)Cc1c[nH]cn1 O=C1NC(=S)S/C1=C\NCCCO ZINC000020032529 96/65/92/342966592 MYZJPPQBDMSQBB-PLNGDYQASA-N -1 218.303 BB -0.052 1 Clean mid BBCAMM O=C1[N-]C(=S)S/C1=C\NCCCO O=C1NC(=S)S/C1=C\NCCCO ZINC000020032529 96/65/89/342966589 MYZJPPQBDMSQBB-PLNGDYQASA-N -1 218.303 BB -0.052 0 Clean ref BBCARM O=C1NC(=S)S/C1=C\NCCCO CS(=O)(=O)NCC(=O)NCc1ccccc1 ZINC000030445210 01/94/69/385019469 NQNZAIRSJBLRDR-UHFFFAOYSA-N 0 242.3 BB -0.148 0 Anodyne ref BBAARN CS(=O)(=O)NCC(=O)NCc1ccccc1 C=Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000034498532 62/72/43/348627243 AASSRPTYAALGJN-UHFFFAOYSA-N 0 220.232 BB -0.386 0 Anodyne ref BBAARN C=Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C O=C(O[C@H]1CCOC1)ON1C(=O)CCC1=O ZINC000072399525 22/15/07/384221507 SAWUNSFFYCOVPE-LURJTMIESA-N 0 229.188 BB -0.008 0 Mild ref BBEARN O=C(O[C@H]1CCOC1)ON1C(=O)CCC1=O in-vitro Nc1cc([N+](=O)[O-])ccc1OC[C@H](O)CO ZINC000096316039 81/54/77/388815477 WXNWGESLINOGIE-SSDOTTSWSA-N 0 228.204 BB -0.091 0 Bother ref BBBARN Nc1cc([N+](=O)[O-])ccc1OC[C@H](O)CO Nc1cc([N+](=O)[O-])ccc1OC[C@@H](O)CO ZINC000096316040 81/60/04/388816004 WXNWGESLINOGIE-ZETCQYMHSA-N 0 228.204 BB -0.091 0 Bother ref BBBARN Nc1cc([N+](=O)[O-])ccc1OC[C@@H](O)CO COC(=O)C(C(=O)OC)=C1NCCO1 ZINC000100388036 24/91/12/398249112 NQAUUWBDALDZKN-UHFFFAOYSA-N 0 201.178 BB -0.836 0 Anodyne ref BBAARN COC(=O)C(C(=O)OC)=C1NCCO1 Cc1[nH]c2nnnn2c(=O)c1Br ZINC000100714504 65/11/07/384651107 HCURMTTYUDLNGV-UHFFFAOYSA-N 0 230.025 BB -0.116 0 Anodyne ref BBAARN Cc1[nH]c2nnnn2c(=O)c1Br