O=C(c1ccc([N+](=O)[O-])cc1)N1CCNCC1 ZINC000000091809 32/88/27/344328827 HIQSQKKHPVVUEJ-UHFFFAOYSA-N 0 235.243 BC 0.64 1 Bother mid BCBAMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCNCC1 O=C(c1ccc([N+](=O)[O-])cc1)N1CCNCC1 ZINC000000091809 32/88/23/344328823 HIQSQKKHPVVUEJ-UHFFFAOYSA-N 1 235.243 BC 0.64 0 Bother ref BCBARO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 O=C(O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000000143615 67/70/18/342677018 NFWHHUCJMAPGHE-ZETCQYMHSA-N -1 209.201 BC 0.713 0 Anodyne ref BCAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccco2)C1 O=C(O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000000143617 67/71/30/342677130 NFWHHUCJMAPGHE-SSDOTTSWSA-N -1 209.201 BC 0.713 0 Anodyne ref BCAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccco2)C1 O=C(c1ccccc1F)N1CCNCC1 ZINC000000255515 68/14/96/342681496 YUOYYPWFXYRVHK-UHFFFAOYSA-N 0 208.236 BC 0.871 1 Anodyne mid BCAAMN O=C(c1ccccc1F)N1CCNCC1 O=C(c1ccccc1F)N1CCNCC1 ZINC000000255515 68/14/94/342681494 YUOYYPWFXYRVHK-UHFFFAOYSA-N 1 208.236 BC 0.871 0 Anodyne ref BCAARO O=C(c1ccccc1F)N1CC[NH2+]CC1 COc1ccccc1C(=O)N1CCNCC1 ZINC000000300697 31/75/82/175317582 QCEOIWAYVGFLBM-UHFFFAOYSA-N 0 220.272 BC 0.741 1 Anodyne mid BCAAMN COc1ccccc1C(=O)N1CCNCC1 COc1ccccc1C(=O)N1CCNCC1 ZINC000000300697 31/75/81/175317581 QCEOIWAYVGFLBM-UHFFFAOYSA-N 1 220.272 BC 0.741 0 Anodyne ref BCAARO COc1ccccc1C(=O)N1CC[NH2+]CC1 CCOC(=O)c1cnc2ccccn2c1=O ZINC000000340564 30/23/65/170302365 LURYFDMBWJWDQH-UHFFFAOYSA-N 0 218.212 BC 0.871 0 Anodyne ref BCAARN CCOC(=O)c1cnc2ccccn2c1=O COC(=O)c1nc(Br)cnc1N ZINC000000715672 69/20/38/342692038 CNXSIRHOIFRMOB-UHFFFAOYSA-N 0 232.037 BC 0.608 0 Anodyne ref BCAARN COC(=O)c1nc(Br)cnc1N in-vitro COc1cc(C(=N)N)cc(OC)c1OC ZINC000001442864 70/11/00/342701100 LNABPJQXZBKJMS-UHFFFAOYSA-N 1 210.233 BC 0.996 0 Anodyne ref BCAARO COc1cc(C(N)=[NH2+])cc(OC)c1OC CS(=O)(=O)c1ccc(N2CCOCC2)cc1 ZINC000001499013 31/43/07/132314307 SZWGFBHKQBHORQ-UHFFFAOYSA-N 0 241.312 BC 0.927 0 Anodyne ref BCAARN CS(=O)(=O)c1ccc(N2CCOCC2)cc1 O=C(O)[C@H]1CC(=O)N(C[C@@H]2CCCO2)C1 ZINC000001985779 71/38/57/342713857 MJNBZSAOCUXODB-YUMQZZPRSA-N -1 213.233 BC 0.099 0 Anodyne ref BCAARM O=C([O-])[C@H]1CC(=O)N(C[C@@H]2CCCO2)C1 O=C(O)[C@H]1CC(=O)N(C[C@H]2CCCO2)C1 ZINC000001985780 71/40/41/342714041 MJNBZSAOCUXODB-JGVFFNPUSA-N -1 213.233 BC 0.099 0 Anodyne ref BCAARM O=C([O-])[C@H]1CC(=O)N(C[C@H]2CCCO2)C1 O=C(O)[C@@H]1CC(=O)N(C[C@@H]2CCCO2)C1 ZINC000001985781 71/38/36/342713836 MJNBZSAOCUXODB-SFYZADRCSA-N -1 213.233 BC 0.099 0 Anodyne ref BCAARM O=C([O-])[C@@H]1CC(=O)N(C[C@@H]2CCCO2)C1 O=C(O)[C@@H]1CC(=O)N(C[C@H]2CCCO2)C1 ZINC000001985782 71/38/44/342713844 MJNBZSAOCUXODB-HTQZYQBOSA-N -1 213.233 BC 0.099 0 Anodyne ref BCAARM O=C([O-])[C@@H]1CC(=O)N(C[C@H]2CCCO2)C1 CON(C)C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000002517108 65/78/22/174657822 PWQIGBOSLQHOBT-ZETCQYMHSA-N 0 232.28 BC 0.919 0 Anodyne ref BCAARN CON(C)C(=O)[C@H](C)NC(=O)OC(C)(C)C O=C(O)Cc1ccc([N+](=O)[O-])cc1C(=O)O ZINC000002523035 71/49/22/388714922 QHIFWNXJOHQQTH-UHFFFAOYSA-N -2 225.156 BC 0.92 0 Bother ref BCBARL O=C([O-])Cc1ccc([N+](=O)[O-])cc1C(=O)[O-] O=C(c1cccc([N+](=O)[O-])c1)N1CCNCC1 ZINC000002528785 56/75/43/371567543 RTCPOEOGSICKJP-UHFFFAOYSA-N 0 235.243 BC 0.64 1 Bother mid BCBAMN O=C(c1cccc([N+](=O)[O-])c1)N1CCNCC1 O=C(c1cccc([N+](=O)[O-])c1)N1CCNCC1 ZINC000002528785 56/75/25/371567525 RTCPOEOGSICKJP-UHFFFAOYSA-N 0 235.243 BC 0.64 0 Bother ref BCBARN O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 CON(C)C(=O)CNC(=O)OC(C)(C)C ZINC000002568281 72/46/85/342724685 XJVZHKXGDQXSNT-UHFFFAOYSA-N 0 218.253 BC 0.531 0 Anodyne ref BCAARN CON(C)C(=O)CNC(=O)OC(C)(C)C COc1ccc(C(=O)N2CCNCC2)cc1 ZINC000002578522 05/71/11/175057111 AWNXKUKDGIDDBE-UHFFFAOYSA-N 0 220.272 BC 0.741 1 Anodyne mid BCAAMN COc1ccc(C(=O)N2CCNCC2)cc1 COc1ccc(C(=O)N2CCNCC2)cc1 ZINC000002578522 05/71/10/175057110 AWNXKUKDGIDDBE-UHFFFAOYSA-N 1 220.272 BC 0.741 0 Anodyne ref BCAARO COc1ccc(C(=O)N2CC[NH2+]CC2)cc1 N=C(N)SCCN1C(=O)c2ccccc2C1=O ZINC000004377432 19/27/61/181192761 XXNPWNLDWANULI-UHFFFAOYSA-N 1 249.295 BC 0.909 0 Anodyne ref BCAARO NC(=[NH2+])SCCN1C(=O)c2ccccc2C1=O O=C(c1cccc(F)c1)N1CCNCC1 ZINC000004502060 74/82/55/342748255 KXFXHXPKGLLUGX-UHFFFAOYSA-N 0 208.236 BC 0.871 1 Anodyne mid BCAAMN O=C(c1cccc(F)c1)N1CCNCC1 O=C(c1cccc(F)c1)N1CCNCC1 ZINC000004502060 74/82/53/342748253 KXFXHXPKGLLUGX-UHFFFAOYSA-N 1 208.236 BC 0.871 0 Anodyne ref BCAARO O=C(c1cccc(F)c1)N1CC[NH2+]CC1 CCOCCCN1C[C@H](C(=O)O)CC1=O ZINC000004516920 37/50/14/170375014 VVPIRIYDBVTFNP-MRVPVSSYSA-N -1 215.249 BC 0.346 0 Anodyne ref BCAARM CCOCCCN1C[C@H](C(=O)[O-])CC1=O CCOCCCN1C[C@@H](C(=O)O)CC1=O ZINC000004516921 37/48/79/170374879 VVPIRIYDBVTFNP-QMMMGPOBSA-N -1 215.249 BC 0.346 0 Anodyne ref BCAARM CCOCCCN1C[C@@H](C(=O)[O-])CC1=O O=C(c1ccc(F)cc1)N1CCNCC1 ZINC000004893997 75/42/11/342754211 OITKVXMAEXNRRK-UHFFFAOYSA-N 0 208.236 BC 0.871 1 Anodyne mid BCAAMN O=C(c1ccc(F)cc1)N1CCNCC1 O=C(c1ccc(F)cc1)N1CCNCC1 ZINC000004893997 75/42/10/342754210 OITKVXMAEXNRRK-UHFFFAOYSA-N 1 208.236 BC 0.871 0 Anodyne ref BCAARO O=C(c1ccc(F)cc1)N1CC[NH2+]CC1 COCCNCCC(=O)OC(C)(C)C ZINC000005066284 33/24/87/174332487 QWKSWHYKNGQDPQ-UHFFFAOYSA-N 1 203.282 BC 0.954 0 Anodyne ref BCAARO COCC[NH2+]CCC(=O)OC(C)(C)C COc1cccc(C(=O)N2CCNCC2)c1 ZINC000005720982 24/38/31/175243831 IPZDOXRVWBCKCE-UHFFFAOYSA-N 0 220.272 BC 0.741 1 Anodyne mid BCAAMN COc1cccc(C(=O)N2CCNCC2)c1 COc1cccc(C(=O)N2CCNCC2)c1 ZINC000005720982 24/38/28/175243828 IPZDOXRVWBCKCE-UHFFFAOYSA-N 1 220.272 BC 0.741 0 Anodyne ref BCAARO COc1cccc(C(=O)N2CC[NH2+]CC2)c1 Nc1cccc(C(=O)O)c1N1CCNCC1 ZINC000006667044 31/83/21/132318321 FALFNUUTHISYQR-UHFFFAOYSA-N -1 221.26 BC 0.377 3 Anodyne high BCAAHM Nc1cccc(C(=O)[O-])c1N1CCNCC1 Nc1cccc(C(=O)O)c1N1CCNCC1 ZINC000006667044 31/83/19/132318319 FALFNUUTHISYQR-UHFFFAOYSA-N 0 221.26 BC 0.377 0 Anodyne ref BCAARN Nc1cccc(C(=O)[O-])c1N1CC[NH2+]CC1 NCCNc1c(C(=O)O)cccc1[N+](=O)[O-] ZINC000006667045 39/67/48/181396748 BWRXJVGKSNXVJG-UHFFFAOYSA-N 0 225.204 BC 0.664 0 Bother ref BCBARN [NH3+]CCNc1c(C(=O)[O-])cccc1[N+](=O)[O-] O=C1NCCNc2c1cccc2[N+](=O)[O-] ZINC000006732061 16/41/97/384164197 ZSLHWCFNYIEQJJ-UHFFFAOYSA-N 0 207.189 BC 0.75 0 Bother ref BCBARN O=C1NCCNc2c1cccc2[N+](=O)[O-] NCCCCNc1ncccc1C(=O)O ZINC000006732128 37/79/59/181377959 KWBVRLFOOZVWIJ-UHFFFAOYSA-N 1 209.249 BC 0.931 2 Anodyne low BCAALO [NH3+]CCCCNc1[nH+]cccc1C(=O)[O-] NCCCCNc1ncccc1C(=O)O ZINC000006732128 37/79/58/181377958 KWBVRLFOOZVWIJ-UHFFFAOYSA-N 0 209.249 BC 0.931 0 Anodyne ref BCAARN [NH3+]CCCCNc1ncccc1C(=O)[O-] O=C(O)C(=O)/C=C(\O)c1cccc(O)c1 ZINC000006732169 16/50/62/384165062 BKMYVWDEXQTAGB-YVMONPNESA-N -1 208.169 BC 0.945 2 Mild low BCEALM O=C([O-])C(=O)C=C(O)c1cccc(O)c1 O=C(O)C(=O)/C=C(\O)c1cccc(O)c1 ZINC000006732169 16/50/55/384165055 BKMYVWDEXQTAGB-YVMONPNESA-N -2 208.169 BC 0.945 0 Mild ref BCEARL O=C([O-])C(=O)C=C([O-])c1cccc(O)c1 CNc1nc(Br)cnc1N ZINC000006745223 48/57/98/173485798 KAXGNNJZVMTPNM-UHFFFAOYSA-N 0 203.043 BC 0.863 0 Anodyne ref BCAARN CNc1nc(Br)cnc1N NC(=O)c1ccccc1N1CCNCC1 ZINC000008764195 31/91/22/132319122 MDIKGMQCJZSRTO-UHFFFAOYSA-N 0 205.261 BC 0.195 3 Anodyne high BCAAHN NC(=O)c1ccccc1N1CCNCC1 NC(=O)c1ccccc1N1CCNCC1 ZINC000008764195 31/91/21/132319121 MDIKGMQCJZSRTO-UHFFFAOYSA-N 1 205.261 BC 0.195 0 Anodyne ref BCAARO NC(=O)c1ccccc1N1CC[NH2+]CC1 COCCN(CCOC)CCC(=O)O ZINC000011797684 29/59/57/174295957 BICCMIWYAQHGQH-UHFFFAOYSA-N -1 205.254 BC 0.056 3 Anodyne high BCAAHM COCCN(CCOC)CCC(=O)[O-] COCCN(CCOC)CCC(=O)O ZINC000011797684 29/59/53/174295953 BICCMIWYAQHGQH-UHFFFAOYSA-N 0 205.254 BC 0.056 0 Anodyne ref BCAARN COCC[NH+](CCOC)CCC(=O)[O-] NC(=S)Nc1cnc(Br)cn1 ZINC000012357058 31/97/75/181319775 QSWSDHQPFQGJMU-UHFFFAOYSA-N 0 233.094 BC 0.895 0 Anodyne ref BCAARN NC(=S)Nc1cnc(Br)cn1 COc1ccc(/C(CN)=N/O)cc1OC ZINC000012357100 04/64/63/175046463 SFFMJPMEDLTPBT-XYOKQWHBSA-N -1 210.233 BC 0.841 3 Mild high BCEBHM COc1ccc(/C(CN)=N/[O-])cc1OC COc1ccc(/C(CN)=N/O)cc1OC ZINC000012357100 04/64/62/175046462 SFFMJPMEDLTPBT-XYOKQWHBSA-N 1 210.233 BC 0.841 2 Mild low BCEBLO COc1ccc(/C(C[NH3+])=N/O)cc1OC COc1ccc(/C(CN)=N/O)cc1OC ZINC000012357100 04/64/61/175046461 SFFMJPMEDLTPBT-XYOKQWHBSA-N 0 210.233 BC 0.841 0 Mild ref BCEBRN COc1ccc(/C(C[NH3+])=N/[O-])cc1OC COc1ccc(/C(CN)=N/O)c(OC)c1 ZINC000012357101 04/63/53/175046353 CVBIGZYAWCTXLH-FMIVXFBMSA-N -1 210.233 BC 0.841 3 Mild high BCEBHM COc1ccc(/C(CN)=N/[O-])c(OC)c1 COc1ccc(/C(CN)=N/O)c(OC)c1 ZINC000012357101 04/63/50/175046350 CVBIGZYAWCTXLH-FMIVXFBMSA-N 1 210.233 BC 0.841 2 Mild low BCEBLO COc1ccc(/C(C[NH3+])=N/O)c(OC)c1 COc1ccc(/C(CN)=N/O)c(OC)c1 ZINC000012357101 04/63/46/175046346 CVBIGZYAWCTXLH-FMIVXFBMSA-N 0 210.233 BC 0.841 0 Mild ref BCEBRN COc1ccc(/C(C[NH3+])=N/[O-])c(OC)c1 Nc1c(C(=O)O)cnn1-c1ccc(C(=O)O)cc1 ZINC000012357302 07/95/44/343079544 VNTFEVZKBMNCKA-UHFFFAOYSA-N -2 247.21 BC 0.851 0 Anodyne ref BCAARL Nc1c(C(=O)[O-])cnn1-c1ccc(C(=O)[O-])cc1 CCCCn1c(CO)cnc1S(C)(=O)=O ZINC000016577934 03/41/37/169034137 UZMMKVIDOJMKLA-UHFFFAOYSA-N 0 232.305 BC 0.579 0 Anodyne ref BCAARN CCCCn1c(CO)cnc1S(C)(=O)=O CCOC(=O)c1cc(CC)[nH]c(=O)c1C#N ZINC000016942899 29/17/77/170291777 NLZXUSXZGVQQLQ-UHFFFAOYSA-N 0 220.228 BC 0.986 1 Mild mid BCEAMN CCOC(=O)c1cc(CC)[nH]c(=O)c1C#N CCOC(=O)c1cc(CC)[nH]c(=O)c1C#N ZINC000016942899 29/17/75/170291775 NLZXUSXZGVQQLQ-UHFFFAOYSA-N -1 220.228 BC 0.986 0 Mild ref BCEARM CCOC(=O)c1cc(CC)[n-]c(=O)c1C#N O=C(COc1ccccc1)N1CCCNCC1 ZINC000019267797 00/14/35/182001435 MVYWUEOILJVYOM-UHFFFAOYSA-N 0 234.299 BC 0.887 3 Anodyne high BCAAHN O=C(COc1ccccc1)N1CCCNCC1 O=C(COc1ccccc1)N1CCCNCC1 ZINC000019267797 00/14/32/182001432 MVYWUEOILJVYOM-UHFFFAOYSA-N 1 234.299 BC 0.887 0 Anodyne ref BCAARO O=C(COc1ccccc1)N1CCC[NH2+]CC1 O=C(COc1ccccc1)N1CCNCC1 ZINC000019270522 00/10/37/182001037 XZCPXUCNSORUCQ-UHFFFAOYSA-N 0 220.272 BC 0.497 1 Anodyne mid BCAAMN O=C(COc1ccccc1)N1CCNCC1 O=C(COc1ccccc1)N1CCNCC1 ZINC000019270522 00/10/34/182001034 XZCPXUCNSORUCQ-UHFFFAOYSA-N 1 220.272 BC 0.497 0 Anodyne ref BCAARO O=C(COc1ccccc1)N1CC[NH2+]CC1 COc1ccc(CC(=O)N2CCNCC2)cc1 ZINC000019271393 51/67/44/384516744 KWASHDYNQNUDTG-UHFFFAOYSA-N 0 234.299 BC 0.669 1 Anodyne mid BCAAMN COc1ccc(CC(=O)N2CCNCC2)cc1 COc1ccc(CC(=O)N2CCNCC2)cc1 ZINC000019271393 51/67/36/384516736 KWASHDYNQNUDTG-UHFFFAOYSA-N 1 234.299 BC 0.669 0 Anodyne ref BCAARO COc1ccc(CC(=O)N2CC[NH2+]CC2)cc1 O=C(Cc1ccccc1)N1CCNCC1 ZINC000019281906 04/32/21/182043221 ZIZWHGCVLFSQBP-UHFFFAOYSA-N 0 204.273 BC 0.661 1 Anodyne mid BCAAMN O=C(Cc1ccccc1)N1CCNCC1 O=C(Cc1ccccc1)N1CCNCC1 ZINC000019281906 04/32/18/182043218 ZIZWHGCVLFSQBP-UHFFFAOYSA-N 1 204.273 BC 0.661 0 Anodyne ref BCAARO O=C(Cc1ccccc1)N1CC[NH2+]CC1 CN(C)c1ccc(C(=O)N2CCNCC2)cc1 ZINC000019441129 31/74/03/187317403 XNELEOAVITVYRL-UHFFFAOYSA-N 0 233.315 BC 0.798 1 Anodyne mid BCAAMN CN(C)c1ccc(C(=O)N2CCNCC2)cc1 CN(C)c1ccc(C(=O)N2CCNCC2)cc1 ZINC000019441129 31/74/01/187317401 XNELEOAVITVYRL-UHFFFAOYSA-N 0 233.315 BC 0.798 0 Anodyne ref BCAARN CN(C)c1ccc(C(=O)N2CC[NH2+]CC2)cc1 c1ccc(OCCN2CCNCC2)cc1 ZINC000019620899 52/92/85/384529285 PTJSLCXRMMGRLY-UHFFFAOYSA-N 1 206.289 BC 0.971 0 Anodyne ref BCAARO c1ccc(OCCN2CC[NH2+]CC2)cc1 O=C(c1cccnc1)N1CCCNCC1 ZINC000019679984 51/74/63/347517463 JDDXUZXAUSXXCY-UHFFFAOYSA-N 0 205.261 BC 0.517 3 Anodyne high BCAAHN O=C(c1cccnc1)N1CCCNCC1 O=C(c1cccnc1)N1CCCNCC1 ZINC000019679984 51/74/57/347517457 JDDXUZXAUSXXCY-UHFFFAOYSA-N 1 205.261 BC 0.517 0 Anodyne ref BCAARO O=C(c1cccnc1)N1CCC[NH2+]CC1 CCOC(=O)CCNC[C@@H]1CCCO1 ZINC000019736903 20/92/85/170209285 RJHXXXSWERTHMC-VIFPVBQESA-N 1 201.266 BC 0.708 0 Anodyne ref BCAARO CCOC(=O)CC[NH2+]C[C@@H]1CCCO1 CCOC(=O)CCNC[C@H]1CCCO1 ZINC000019736904 20/91/75/170209175 RJHXXXSWERTHMC-SECBINFHSA-N 1 201.266 BC 0.708 0 Anodyne ref BCAARO CCOC(=O)CC[NH2+]C[C@H]1CCCO1 N#Cc1ccc(CN2CCNCC2)cc1 ZINC000019803327 10/36/76/181103676 RPOOHOJBILYQET-UHFFFAOYSA-N 1 201.273 BC 0.963 0 Mild ref BCEARO N#Cc1ccc(CN2CC[NH2+]CC2)cc1 in-vitro CN(C)CCNc1ncccc1C(=O)O ZINC000019844631 54/62/77/384546277 AVHDFTKGEOINML-UHFFFAOYSA-N -1 209.249 BC 0.753 3 Anodyne high BCAAHM CN(C)CCNc1ncccc1C(=O)[O-] CN(C)CCNc1ncccc1C(=O)O ZINC000019844631 54/62/72/384546272 AVHDFTKGEOINML-UHFFFAOYSA-N 0 209.249 BC 0.753 0 Anodyne ref BCAARN C[NH+](C)CCNc1ncccc1C(=O)[O-] N#Cc1ccccc1CN1CCNCC1 ZINC000019850282 14/58/27/181145827 DVUNFWADPIWIAY-UHFFFAOYSA-N 1 201.273 BC 0.963 0 Mild ref BCEARO N#Cc1ccccc1CN1CC[NH2+]CC1 N#Cc1cccc(CN2CCNCC2)c1 ZINC000019850287 13/72/47/181137247 XDYXEYUQBGLAOZ-UHFFFAOYSA-N 1 201.273 BC 0.963 0 Mild ref BCEARO N#Cc1cccc(CN2CC[NH2+]CC2)c1 O=C(O)c1cccnc1N1CCNCC1 ZINC000019850336 32/78/43/132327843 BCDHEUBISMKPOQ-UHFFFAOYSA-N -1 207.233 BC 0.189 3 Anodyne high BCAAHM O=C([O-])c1cccnc1N1CCNCC1 O=C(O)c1cccnc1N1CCNCC1 ZINC000019850336 32/78/42/132327842 BCDHEUBISMKPOQ-UHFFFAOYSA-N 0 207.233 BC 0.189 0 Anodyne ref BCAARN O=C([O-])c1cccnc1N1CC[NH2+]CC1 O=C(O)c1ccc(N2CCNCC2)nc1 ZINC000019850424 32/78/47/132327847 UMYHUVUKIGFYAI-UHFFFAOYSA-N -1 207.233 BC 0.189 3 Anodyne high BCAAHM O=C([O-])c1ccc(N2CCNCC2)nc1 O=C(O)c1ccc(N2CCNCC2)nc1 ZINC000019850424 32/78/46/132327846 UMYHUVUKIGFYAI-UHFFFAOYSA-N 0 207.233 BC 0.189 0 Anodyne ref BCAARN O=C([O-])c1ccc(N2CC[NH2+]CC2)nc1 O=C(O)c1cnc(N2CCNCC2)c(Cl)c1 ZINC000019850447 32/78/24/132327824 YWIMUHQNVJTAKH-UHFFFAOYSA-N -1 241.678 BC 0.843 3 Anodyne high BCAAHM O=C([O-])c1cnc(N2CCNCC2)c(Cl)c1 O=C(O)c1cnc(N2CCNCC2)c(Cl)c1 ZINC000019850447 32/78/23/132327823 YWIMUHQNVJTAKH-UHFFFAOYSA-N 0 241.678 BC 0.843 0 Anodyne ref BCAARN O=C([O-])c1cnc(N2CC[NH2+]CC2)c(Cl)c1 C[C@@H]1CN(c2ccc(C(=O)O)cn2)CCN1 ZINC000019850458 32/78/38/132327838 UMKVSPPNHLWAEO-MRVPVSSYSA-N -1 221.26 BC 0.578 3 Anodyne high BCAAHM C[C@@H]1CN(c2ccc(C(=O)[O-])cn2)CCN1 C[C@@H]1CN(c2ccc(C(=O)O)cn2)CCN1 ZINC000019850458 32/78/37/132327837 UMKVSPPNHLWAEO-MRVPVSSYSA-N 0 221.26 BC 0.578 0 Anodyne ref BCAARN C[C@@H]1CN(c2ccc(C(=O)[O-])cn2)CC[NH2+]1 C[C@H]1CN(c2ccc(C(=O)O)cn2)CCN1 ZINC000019850462 32/78/20/132327820 UMKVSPPNHLWAEO-QMMMGPOBSA-N -1 221.26 BC 0.578 3 Anodyne high BCAAHM C[C@H]1CN(c2ccc(C(=O)[O-])cn2)CCN1 C[C@H]1CN(c2ccc(C(=O)O)cn2)CCN1 ZINC000019850462 32/78/19/132327819 UMKVSPPNHLWAEO-QMMMGPOBSA-N 0 221.26 BC 0.578 0 Anodyne ref BCAARN C[C@H]1CN(c2ccc(C(=O)[O-])cn2)CC[NH2+]1 C[C@@H]1CN(c2ncccc2C(=O)O)CCN1 ZINC000019850465 32/78/41/132327841 WSNTXKJWPIIOCS-MRVPVSSYSA-N -1 221.26 BC 0.578 3 Anodyne high BCAAHM C[C@@H]1CN(c2ncccc2C(=O)[O-])CCN1 C[C@@H]1CN(c2ncccc2C(=O)O)CCN1 ZINC000019850465 32/78/40/132327840 WSNTXKJWPIIOCS-MRVPVSSYSA-N 0 221.26 BC 0.578 0 Anodyne ref BCAARN C[C@@H]1CN(c2ncccc2C(=O)[O-])CC[NH2+]1 C[C@H]1CN(c2ncccc2C(=O)O)CCN1 ZINC000019850468 32/79/07/132327907 WSNTXKJWPIIOCS-QMMMGPOBSA-N -1 221.26 BC 0.578 3 Anodyne high BCAAHM C[C@H]1CN(c2ncccc2C(=O)[O-])CCN1 C[C@H]1CN(c2ncccc2C(=O)O)CCN1 ZINC000019850468 32/79/06/132327906 WSNTXKJWPIIOCS-QMMMGPOBSA-N 0 221.26 BC 0.578 0 Anodyne ref BCAARN C[C@H]1CN(c2ncccc2C(=O)[O-])CC[NH2+]1 O=C(c1ccncc1)N1CCCNCC1 ZINC000021968976 03/17/11/343031711 IWECACRPYUGBDO-UHFFFAOYSA-N 0 205.261 BC 0.517 3 Anodyne high BCAAHN O=C(c1ccncc1)N1CCCNCC1 O=C(c1ccncc1)N1CCCNCC1 ZINC000021968976 03/17/08/343031708 IWECACRPYUGBDO-UHFFFAOYSA-N 1 205.261 BC 0.517 0 Anodyne ref BCAARO O=C(c1ccncc1)N1CCC[NH2+]CC1 COc1ccccc1C(=O)CC(=O)C(=O)O ZINC000022113734 31/68/64/175316864 PZBLAHYFKVIGFG-UHFFFAOYSA-N -1 222.196 BC 0.922 1 Anodyne mid BCAAMM COc1ccccc1C(=O)C=C(O)C(=O)[O-] COc1ccccc1C(=O)CC(=O)C(=O)O ZINC000022113734 31/68/62/175316862 PZBLAHYFKVIGFG-UHFFFAOYSA-N -1 222.196 BC 0.922 0 Anodyne ref BCAARM COc1ccccc1C(=O)CC(=O)C(=O)[O-] COc1cccc(C(=O)CC(=O)C(=O)O)c1 ZINC000022113739 24/29/27/175242927 VSUAIOMDWMRIAK-UHFFFAOYSA-N -1 222.196 BC 0.922 1 Anodyne mid BCAAMM COc1cccc(C(=O)C=C(O)C(=O)[O-])c1 COc1cccc(C(=O)CC(=O)C(=O)O)c1 ZINC000022113739 24/29/24/175242924 VSUAIOMDWMRIAK-UHFFFAOYSA-N -1 222.196 BC 0.922 0 Anodyne ref BCAARM COc1cccc(C(=O)CC(=O)C(=O)[O-])c1 CS(=O)(=O)N1CCN[C@@H](c2ccccc2)C1 ZINC000022115370 73/44/43/384734443 HEAZJLBISVSKPV-LLVKDONJSA-N 1 240.328 BC 0.592 2 Anodyne low BCAALO CS(=O)(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 CS(=O)(=O)N1CCN[C@@H](c2ccccc2)C1 ZINC000022115370 73/44/35/384734435 HEAZJLBISVSKPV-LLVKDONJSA-N 0 240.328 BC 0.592 0 Anodyne ref BCAARN CS(=O)(=O)N1CCN[C@@H](c2ccccc2)C1 CS(=O)(=O)N1CCN[C@H](c2ccccc2)C1 ZINC000022115374 42/80/89/175428089 HEAZJLBISVSKPV-NSHDSACASA-N 1 240.328 BC 0.592 2 Anodyne low BCAALO CS(=O)(=O)N1CC[NH2+][C@H](c2ccccc2)C1