smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Oc1ccc2c(c1)[C@H]1CC[N@@H+](C)[C@@H](C2)C1 ZINC000003616913 187246463 /nfs/dbraw/zinc/24/64/63/187246463.db2.gz AVBOASAOJVZRAI-STQMWFEESA-N 1 0 245.322 2.346 1 0 BEAFRO C1=[NH+]C[C@H]([C@H]2C[C@@]23CCc2ccccc2C3)N1 ZINC000013862133 187251354 /nfs/dbraw/zinc/25/13/54/187251354.db2.gz AMXWFUMPTGFRGD-KFWWJZLASA-N 1 0 226.323 2.182 1 0 BEAFRO NC(=[NH2+])c1nc(-c2ccccc2)n2ccccc12 ZINC000214164017 343763682 /nfs/dbraw/zinc/76/36/82/343763682.db2.gz XPUWOGKWBDSVOY-UHFFFAOYSA-N 1 0 236.278 2.285 2 0 BEAFRO Cc1cccc([C@H]2CN3CCSC3=N2)c1 ZINC000169314178 187302903 /nfs/dbraw/zinc/30/29/03/187302903.db2.gz VZSOEIVNAHCWHI-LLVKDONJSA-N 1 0 218.325 2.455 1 0 BEAFRO Cc1cccc(C)c1O[C@H](C)C1=[NH+]CCN1C ZINC000027713958 179047817 /nfs/dbraw/zinc/04/78/17/179047817.db2.gz GSECFRJNUWQKIG-GFCCVEGCSA-N 1 0 232.327 2.415 1 0 BEAFRO Cc1ccccc1[C@H](C1COCOC1)[NH+](C)C ZINC000169322974 179341050 /nfs/dbraw/zinc/34/10/50/179341050.db2.gz SPTSWFGFYULSGK-AWEZNQCLSA-N 1 0 235.327 2.218 1 0 BEAFRO Cc1nnc(C)n1NC(=[NH2+])c1ccc(Cl)cc1 ZINC000026989910 180399575 /nfs/dbraw/zinc/39/95/75/180399575.db2.gz QMVVKYOQQXOYBP-UHFFFAOYSA-N 1 0 249.705 2.117 1 0 BEAFRO Fc1cncc(C2=C[C@H]3C[NH2+]C[C@@H](C2)C3)c1 ZINC000095576879 181019437 /nfs/dbraw/zinc/01/94/37/181019437.db2.gz ZLLCEWCZDFPICU-VHSXEESVSA-N 1 0 218.275 2.234 1 0 BEAFRO NC(=[NH2+])NCc1ccc2c(c1)Cc1ccccc1-2 ZINC000028825483 181191827 /nfs/dbraw/zinc/19/18/27/181191827.db2.gz HUJHBMIGNWCMJC-UHFFFAOYSA-N 1 0 237.306 2.241 1 0 BEAFRO OCC[C@@]1(c2cc3ccccc3o2)CCC[NH2+]C1 ZINC000095582476 183096530 /nfs/dbraw/zinc/09/65/30/183096530.db2.gz QLSUBNPMUSWHLS-HNNXBMFYSA-N 1 0 245.322 2.436 1 0 BEAFRO OC[C@]12[NH2+][C@H](Cc3ccccc31)c1ccccc12 ZINC000026012474 183159730 /nfs/dbraw/zinc/15/97/30/183159730.db2.gz YFKAGZCIJHYSFZ-CVEARBPZSA-N 1 0 237.302 2.123 1 0 BEAFRO CCC[NH+](CCC)[C@H]1CCn2ncc(C=O)c2C1 ZINC000013672684 169152875 /nfs/dbraw/zinc/15/28/75/169152875.db2.gz GFJQMJYOLGYPBB-ZDUSSCGKSA-N 1 0 249.358 2.132 1 0 BEAFRO c1coc(-c2ccccc2OCC2=[NH+]CCN2)c1 ZINC000013437822 183503929 /nfs/dbraw/zinc/50/39/29/183503929.db2.gz MXSYQDRTCADVLB-UHFFFAOYSA-N 1 0 242.278 2.327 1 0 BEAFRO c1ccc(N2CCCC3(CC[NH2+]CC3)C2)nc1 ZINC000003955968 132316152 /nfs/dbraw/zinc/31/61/52/132316152.db2.gz BFINNLMBVSBGRJ-UHFFFAOYSA-N 1 0 231.343 2.052 1 0 BEAFRO CC(C)Oc1ccc2c(c1)[C@H](O)[C@H]([NH3+])CCC2 ZINC000026645653 167301837 /nfs/dbraw/zinc/30/18/37/167301837.db2.gz SIDIHZUNMAKELI-KGLIPLIRSA-N 1 0 235.327 2.171 1 0 BEAFRO CC(C)Oc1ccc2c(c1)[C@@H](O)[C@H]([NH3+])CCC2 ZINC000026645663 167302498 /nfs/dbraw/zinc/30/24/98/167302498.db2.gz SIDIHZUNMAKELI-ZIAGYGMSSA-N 1 0 235.327 2.171 1 0 BEAFRO CC[NH2+]CCC(=O)Nc1nsc2ccccc21 ZINC000040404004 170112133 /nfs/dbraw/zinc/11/21/33/170112133.db2.gz MRGIKLSZDRDFBH-UHFFFAOYSA-N 1 0 249.339 2.234 1 0 BEAFRO CCOC(=O)[C@@]1(c2ccccc2)C[C@H]1C[NH+](C)C ZINC000026991030 170263544 /nfs/dbraw/zinc/26/35/44/170263544.db2.gz QKRSXNKJLFBCJR-DZGCQCFKSA-N 1 0 247.338 2.069 1 0 BEAFRO C[N@@H+]1CC[C@@]23C[C@@H]1CC[C@H]2Oc1c3cccc1O ZINC000040845167 173141158 /nfs/dbraw/zinc/14/11/58/173141158.db2.gz CFTBJOBXKMLPAY-ZBINZKHDSA-N 1 0 245.322 2.279 1 0 BEAFRO C[N@@H+]1C[C@@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)C2 ZINC000029223102 173190544 /nfs/dbraw/zinc/19/05/44/173190544.db2.gz JJGGJOXCHDPVTJ-KWCYVHTRSA-N 1 0 245.322 2.326 1 0 BEAFRO C[NH+]=C1Nc2c(OC(C)C)cccc2[C@@H](C)N1 ZINC000029131431 173322027 /nfs/dbraw/zinc/32/20/27/173322027.db2.gz PGMNDAZLZGOWHP-SECBINFHSA-N 1 0 233.315 2.345 1 0 BEAFRO C[NH2+]CC[C@@H]1CCO[C@H](c2ccccc2)O1 ZINC000071281659 173358352 /nfs/dbraw/zinc/35/83/52/173358352.db2.gz XOUAHCDKUNMPLM-OLZOCXBDSA-N 1 0 221.300 2.100 1 0 BEAFRO COc1cc2cccnc2c(N[C@H](C)CC[NH3+])c1 ZINC000169322704 175004249 /nfs/dbraw/zinc/00/42/49/175004249.db2.gz ZBNVUTPGZIDATC-SNVBAGLBSA-N 1 0 245.326 2.393 1 0 BEAFRO COc1ccc2c(c1)Cc1ccn(C[C@H](C)[NH3+])c1-2 ZINC000013764843 175211662 /nfs/dbraw/zinc/21/16/62/175211662.db2.gz XVGMZJHXUIXLJT-JTQLQIEISA-N 1 0 242.322 2.415 1 0 BEAFRO COc1cncc(C2=C[C@@H]3C[NH2+]C[C@H](C2)C3)c1 ZINC000095579858 175383894 /nfs/dbraw/zinc/38/38/94/175383894.db2.gz YSVOMDFBWJGXEL-MNOVXSKESA-N 1 0 230.311 2.103 1 0 BEAFRO COc1cncc(C2=C[C@H]3C[NH2+]C[C@@H](C2)C3)c1 ZINC000095579859 175384069 /nfs/dbraw/zinc/38/40/69/175384069.db2.gz YSVOMDFBWJGXEL-WDEREUQCSA-N 1 0 230.311 2.103 1 0 BEAFRO C[C@@H]1C[N@H+](C)CC[C@@H]1c1cccc(O)c1 ZINC000145759203 176268928 /nfs/dbraw/zinc/26/89/28/176268928.db2.gz RBCFJTXWESLVEO-MFKMUULPSA-N 1 0 205.301 2.447 1 0 BEAFRO C[C@@H]1OCOC[C@@H]1[C@@H](c1ccccc1)[NH+](C)C ZINC000039215620 176483878 /nfs/dbraw/zinc/48/38/78/176483878.db2.gz CQWTUNAZBLBSGV-FPMFFAJLSA-N 1 0 235.327 2.298 1 0 BEAFRO C[C@H](O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000103282192 177002939 /nfs/dbraw/zinc/00/29/39/177002939.db2.gz PGTQEBASZUIFFM-LBPRGKRZSA-N 1 0 219.328 2.279 1 0 BEAFRO C[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCC[NH2+]2)O1 ZINC000005736279 177480899 /nfs/dbraw/zinc/48/08/99/177480899.db2.gz PSSUWQYMIZSKML-ZNMIVQPWSA-N 1 0 247.338 2.417 1 0 BEAFRO O=C1CCCC2=C3CCC[N@@H+]4CCC[C@H](CN12)[C@H]34 ZINC000033830579 560088741 /nfs/dbraw/zinc/08/87/41/560088741.db2.gz CDDHEMJXKBELBO-IAQYHMDHSA-N 1 0 246.354 2.141 1 0 biogenic,in-vitro BEAFRO CC(=O)O[C@@H]1c2ccccc2C[N+](=O)C1(C)C ZINC000027557114 187255962 /nfs/dbraw/zinc/25/59/62/187255962.db2.gz QPOZZORBOCMGHT-GFCCVEGCSA-N 1 0 233.267 2.012 1 0 BEAFRO Cc1ccc2[nH]ccc2c1O[C@@H](C)C1=[NH+]CCN1 ZINC000027715462 178937357 /nfs/dbraw/zinc/93/73/57/178937357.db2.gz FXUFPWLBKKVRAS-JTQLQIEISA-N 1 0 243.310 2.245 1 0 BEAFRO Cc1cccc(C)c1N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000013814050 179038759 /nfs/dbraw/zinc/03/87/59/179038759.db2.gz QDARTEBYCWNHSI-CYBMUJFWSA-N 1 0 246.354 2.360 1 0 BEAFRO Clc1cncc([C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000028124907 180599632 /nfs/dbraw/zinc/59/96/32/180599632.db2.gz CYWXRIUWSBKQSY-VWYCJHECSA-N 1 0 208.692 2.343 1 0 BEAFRO CC(=O)O[C@H]1c2ccccc2C[N+](=O)C1(C)C ZINC000027557116 188271780 /nfs/dbraw/zinc/27/17/80/188271780.db2.gz QPOZZORBOCMGHT-LBPRGKRZSA-N 1 0 233.267 2.012 1 0 BEAFRO CC[n+]1cccc2c1CC[C@H]1[C@H]2CCC[C@@H]1O ZINC000040447508 188291911 /nfs/dbraw/zinc/29/19/11/188291911.db2.gz VLNXDCRXDURMEC-WHOFXGATSA-N 1 0 232.347 2.185 1 0 BEAFRO Fc1cc([C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cnc1Cl ZINC000029544665 180955949 /nfs/dbraw/zinc/95/59/49/180955949.db2.gz PKAQUVZVSSGSES-WEDXCCLWSA-N 1 0 226.682 2.482 1 0 BEAFRO Fc1ccc(C2=C[C@@H]3C[NH2+]C[C@H](C2)C3)cn1 ZINC000095575082 180963241 /nfs/dbraw/zinc/96/32/41/180963241.db2.gz CRPBMTGSCRKOBR-ZJUUUORDSA-N 1 0 218.275 2.234 1 0 BEAFRO CCCCCOc1cccc2[nH+]c(N)nc(N)c21 ZINC000028971463 168730990 /nfs/dbraw/zinc/73/09/90/168730990.db2.gz QLDDFFYKFOOFLW-UHFFFAOYSA-N 1 0 246.314 2.363 1 0 BEAFRO [NH2+]=C(NCCc1cccnc1)c1cccs1 ZINC000013648215 181198934 /nfs/dbraw/zinc/19/89/34/181198934.db2.gz NMDZNHNKJDOOHI-UHFFFAOYSA-N 1 0 231.324 2.301 1 0 BEAFRO [NH3+]CCCc1nnc(-c2cc3ccccc3[nH]2)o1 ZINC000083370418 181388506 /nfs/dbraw/zinc/38/85/06/181388506.db2.gz GMNUFXQYIIOSCS-UHFFFAOYSA-N 1 0 242.282 2.109 2 0 BEAFRO [NH3+]CC[C@H]1CC[C@@H](CCc2ccc(O)cc2)O1 ZINC000040865752 181410732 /nfs/dbraw/zinc/41/07/32/181410732.db2.gz XXFWDPHWYVNJQG-ZIAGYGMSSA-N 1 0 235.327 2.221 1 0 BEAFRO CCCN(C)C(=O)Oc1cccc2c1[C@H]([NH3+])CC2 ZINC000013492224 169056723 /nfs/dbraw/zinc/05/67/23/169056723.db2.gz FOCOMSHDIFMBFE-LLVKDONJSA-N 1 0 248.326 2.473 1 0 BEAFRO CCCN(C)C(=O)Oc1ccc2c(c1)[C@H]([NH3+])CC2 ZINC000013492200 169057383 /nfs/dbraw/zinc/05/73/83/169057383.db2.gz OGCSBPXIKACNKA-CYBMUJFWSA-N 1 0 248.326 2.473 1 0 BEAFRO O[C@@H]1CCCC[C@H]1N1C=[NH+][C@@H](c2ccccc2)C1 ZINC000169367326 183190263 /nfs/dbraw/zinc/19/02/63/183190263.db2.gz UOSZMHCGVBXKIX-RBSFLKMASA-N 1 0 244.338 2.375 1 0 BEAFRO O[C@H]1CCCC[C@H]1N1C=[NH+][C@@H](c2ccccc2)C1 ZINC000040646025 183232847 /nfs/dbraw/zinc/23/28/47/183232847.db2.gz UOSZMHCGVBXKIX-KFWWJZLASA-N 1 0 244.338 2.375 1 0 BEAFRO Oc1cccc([C@@H]2CN3CCCC[C@@H]3CO2)c1 ZINC000082299804 183294834 /nfs/dbraw/zinc/29/48/34/183294834.db2.gz UBWHUUMDABKZBM-OCCSQVGLSA-N 1 0 233.311 2.318 1 0 BEAFRO c1c2c(cc3c1CC[N@H+]1CCC[C@H]31)OCO2 ZINC000169309101 183322697 /nfs/dbraw/zinc/32/26/97/183322697.db2.gz JIMJBWVPDMZLDI-LLVKDONJSA-N 1 0 217.268 2.108 1 0 BEAFRO CCCN1CCO[C@@H](c2cccc(O)c2C)C1 ZINC000028957391 169204110 /nfs/dbraw/zinc/20/41/10/169204110.db2.gz MXNXFAHWSZKOJQ-CQSZACIVSA-N 1 0 235.327 2.484 1 0 BEAFRO c1cc2c3c(c1)SCCCN3[C@H]1CC[NH2+]C[C@@H]21 ZINC000095586246 183373906 /nfs/dbraw/zinc/37/39/06/183373906.db2.gz BFTSQLRGEOKCJS-RYUDHWBXSA-N 1 0 246.379 2.448 1 0 BEAFRO CCC[NH2+][C@H]1Cc2cc3nc(N)sc3cc2C1 ZINC000013813255 169292454 /nfs/dbraw/zinc/29/24/54/169292454.db2.gz BRWKJOUZUNEUTN-JTQLQIEISA-N 1 0 247.367 2.345 1 0 BEAFRO CCC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C ZINC000037628111 169499935 /nfs/dbraw/zinc/49/99/35/169499935.db2.gz PZVRSDBLMSXDCX-LLVKDONJSA-N 1 0 221.300 2.346 1 0 BEAFRO Cc1c2[nH]c3ccc(O)cc3c2cc[n+]1C ZINC000036287017 177636319 /nfs/dbraw/zinc/63/63/19/177636319.db2.gz ICPRLZDLIOARIN-UHFFFAOYSA-O 1 0 213.260 2.160 1 0 in-vivo BEAFRO c1ccc2c(c1)C[C@@H]1CN2CC[N@H+]1CC1CC1 ZINC000053271381 132363007 /nfs/dbraw/zinc/36/30/07/132363007.db2.gz UFMNRQWEGPYUQL-CQSZACIVSA-N 1 0 228.339 2.143 1 0 BEAFRO CCN1c2cccc(Cl)c2C[C@H]1C1=[NH+]CCN1 ZINC000028015056 170041633 /nfs/dbraw/zinc/04/16/33/170041633.db2.gz FADQQDNLBYLDIQ-LBPRGKRZSA-N 1 0 249.745 2.093 1 0 BEAFRO CC[C@@]1(c2ccccc2)OCC[C@H](CC[NH3+])O1 ZINC000095553008 171215947 /nfs/dbraw/zinc/21/59/47/171215947.db2.gz NNHCRVIMTXXWIF-UONOGXRCSA-N 1 0 235.327 2.404 1 0 BEAFRO CN(C)C(=O)Oc1ccc2c(c1)[C@@H]([NH+](C)C)CC2 ZINC000013492309 172382281 /nfs/dbraw/zinc/38/22/81/172382281.db2.gz ZMBDILYCKABPBU-ZDUSSCGKSA-N 1 0 248.326 2.296 1 0 BEAFRO CN(C)C1=[NH+]CCN1CC1CCCCCC1 ZINC000036386690 172405138 /nfs/dbraw/zinc/40/51/38/172405138.db2.gz UMZMXOJATCMCEF-UHFFFAOYSA-N 1 0 223.364 2.190 3 0 BEAFRO C[NH+](C)CCCC[S@](=O)c1ccccc1 ZINC000096941616 172430611 /nfs/dbraw/zinc/43/06/11/172430611.db2.gz JDERSRAYRIVHQN-OAHLLOKOSA-N 1 0 225.357 2.136 1 0 BEAFRO C[N@@H+]1CCC[C@H]1COc1cc(F)cc(F)c1 ZINC000026389698 173055253 /nfs/dbraw/zinc/05/52/53/173055253.db2.gz RWDRKNXFPKPXKG-NSHDSACASA-N 1 0 227.254 2.438 1 0 BEAFRO C[N@@H+]1CC[C@]2(C1)CCCc1ccc(O)cc12 ZINC000027721883 173137326 /nfs/dbraw/zinc/13/73/26/173137326.db2.gz NXZRKBPMTSESCR-AWEZNQCLSA-N 1 0 217.312 2.302 1 0 BEAFRO C[N@@H+]1CC[C@@]23C[C@@H]1CC[C@@H]2Oc1c3cccc1O ZINC000027765386 173140608 /nfs/dbraw/zinc/14/06/08/173140608.db2.gz CFTBJOBXKMLPAY-XEGUGMAKSA-N 1 0 245.322 2.279 1 0 BEAFRO C[N@@H+]1C[C@@H]2Oc3ccc(O)cc3[C@@]23CCC[C@@H]1C3 ZINC000040379774 173189703 /nfs/dbraw/zinc/18/97/03/173189703.db2.gz XFZCVBMZVIYKCQ-ONERCXAPSA-N 1 0 245.322 2.279 1 0 BEAFRO C[N@@H+]1C[C@H]2Oc3ccc(O)cc3[C@@]23CCC[C@@H]1C3 ZINC000072107802 173200573 /nfs/dbraw/zinc/20/05/73/173200573.db2.gz XFZCVBMZVIYKCQ-KMUNFCNLSA-N 1 0 245.322 2.279 1 0 BEAFRO C[N@@H+]1[C@H]2C[C@@H](OC(=O)c3ccccc3)[C@@H]1CCC2 ZINC000169330205 173204668 /nfs/dbraw/zinc/20/46/68/173204668.db2.gz ARWACDLWRNGONO-HZSPNIEDSA-N 1 0 245.322 2.469 1 0 BEAFRO COc1c(Cl)ccc2c1[C@H](C)NC(=[NH2+])N2 ZINC000029131427 174930300 /nfs/dbraw/zinc/93/03/00/174930300.db2.gz JBVXDZODHTVXQZ-YFKPBYRVSA-N 1 0 225.679 2.359 1 0 BEAFRO COc1cc2c(cc1O)[C@H]1CCC[N@@H+]1CC2 ZINC000169309105 175023399 /nfs/dbraw/zinc/02/33/99/175023399.db2.gz DWRNFZKLXGRMQH-LLVKDONJSA-N 1 0 219.284 2.094 1 0 BEAFRO COc1ccc(-c2cc[n+](C)cc2)cc1 ZINC000006068509 175032541 /nfs/dbraw/zinc/03/25/41/175032541.db2.gz MFWLGFBFWGSJHU-UHFFFAOYSA-N 1 0 200.261 2.187 1 0 BEAFRO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C)CC3 ZINC000001628885 175201975 /nfs/dbraw/zinc/20/19/75/175201975.db2.gz RVVJOBLZASPMDJ-UHFFFAOYSA-N 1 0 230.311 2.207 1 0 BEAFRO COc1ccc2c(c1)-c1c(ccn1C[C@@H](C)[NH3+])C2 ZINC000013764845 175205763 /nfs/dbraw/zinc/20/57/63/175205763.db2.gz OTCPUISFVUWAGR-SNVBAGLBSA-N 1 0 242.322 2.415 1 0 BEAFRO C[C@@H](Oc1ccccc1)[C@H](O)C[NH2+]C(C)(C)C ZINC000028227109 176005319 /nfs/dbraw/zinc/00/53/19/176005319.db2.gz YHEKOJLUDINMTM-DGCLKSJQSA-N 1 0 237.343 2.203 1 0 BEAFRO C[C@H]1C[NH+]=C(N(C)C)N1CCC1CCCC1 ZINC000036386710 177280905 /nfs/dbraw/zinc/28/09/05/177280905.db2.gz YOSDDJALTTWSGB-NSHDSACASA-N 1 0 223.364 2.188 3 0 BEAFRO Cc1cc(Cl)cc(C)c1NC(=O)[C@@H](C)[NH3+] ZINC000028636079 178063030 /nfs/dbraw/zinc/06/30/30/178063030.db2.gz HCWYOGLYLXIJOJ-MRVPVSSYSA-N 1 0 226.707 2.243 1 0 BEAFRO Cc1ccc(-c2nnc3sc(C[NH3+])cn32)cc1 ZINC000103268055 178341961 /nfs/dbraw/zinc/34/19/61/178341961.db2.gz CRBCSUPNOFHLAT-UHFFFAOYSA-N 1 0 244.323 2.225 1 0 BEAFRO CC[n+]1cccc2c1CC[C@H]1CC[C@H](O)C[C@@H]21 ZINC000026270687 187254582 /nfs/dbraw/zinc/25/45/82/187254582.db2.gz YJWXSCWKVFHACU-MBNYWOFBSA-N 1 0 232.347 2.185 1 0 BEAFRO C[C@@H]1OC(=O)C[C@H]1C/C=C/[C@H]1CCCC[N@@H+]1C ZINC000028250400 187255931 /nfs/dbraw/zinc/25/59/31/187255931.db2.gz GWRXGSVCPYKRNL-CAJTZJJPSA-N 1 0 237.343 2.369 1 0 BEAFRO Cc1cccc(C)c1N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000013814053 179039429 /nfs/dbraw/zinc/03/94/29/179039429.db2.gz QDARTEBYCWNHSI-ZDUSSCGKSA-N 1 0 246.354 2.360 1 0 BEAFRO Cc1cccc(C)c1NC(=S)[C@@H](C)[NH3+] ZINC000040585327 179043788 /nfs/dbraw/zinc/04/37/88/179043788.db2.gz LTOOWIRQZMCRBU-SECBINFHSA-N 1 0 208.330 2.390 1 0 BEAFRO NC(=[NH2+])NCC12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000022130526 181189801 /nfs/dbraw/zinc/18/98/01/181189801.db2.gz DTBFDSDPORKXAI-UYVFGJEYSA-N 1 0 221.348 2.076 1 0 BEAFRO NC(=[NH2+])Oc1ccc(Oc2ccc(O)cc2)cc1 ZINC000040836113 181190699 /nfs/dbraw/zinc/19/06/99/181190699.db2.gz VSBIFAPBKFYOBQ-UHFFFAOYSA-N 1 0 244.250 2.457 1 0 BEAFRO [NH2+]=C1N[C@@H](c2ccccc2)C[C@H]2CCCN12 ZINC000103262097 181207596 /nfs/dbraw/zinc/20/75/96/181207596.db2.gz KNEOFDGQRVVMPS-VXGBXAGGSA-N 1 0 215.300 2.120 1 0 BEAFRO [NH3+]C12C[C@@H]3CC(O)(C[C@H](C1)c1ccccc13)C2 ZINC000169337071 181336159 /nfs/dbraw/zinc/33/61/59/181336159.db2.gz BBCUJOBPUZINQX-MPLXBHQASA-N 1 0 229.323 2.274 1 0 BEAFRO NC1=[NH+]C[C@H](CC2=Cc3ccccc3CC2)O1 ZINC000013862077 181339183 /nfs/dbraw/zinc/33/91/83/181339183.db2.gz WSWSUWJOQJJFLO-ZDUSSCGKSA-N 1 0 228.295 2.120 1 0 BEAFRO [NH3+]CCCCNc1cc(O)cc2cccnc21 ZINC000040414134 181377266 /nfs/dbraw/zinc/37/72/66/181377266.db2.gz ULLNCDQWEJXQOI-UHFFFAOYSA-N 1 0 231.299 2.091 1 0 BEAFRO CCCCc1noc([C@@H]2C[NH+]3CCC2CC3)n1 ZINC000003793101 169030254 /nfs/dbraw/zinc/03/02/54/169030254.db2.gz ISNGKKMSOUVHQA-LLVKDONJSA-N 1 0 235.331 2.221 1 0 BEAFRO CCCN(C)C(=O)Oc1cccc2c1[C@@H]([NH3+])CC2 ZINC000013492225 169056985 /nfs/dbraw/zinc/05/69/85/169056985.db2.gz FOCOMSHDIFMBFE-NSHDSACASA-N 1 0 248.326 2.473 1 0 BEAFRO O[C@@H]1CCCC[C@@H]1N1C=[NH+][C@H](c2ccccc2)C1 ZINC000028231278 183188221 /nfs/dbraw/zinc/18/82/21/183188221.db2.gz UOSZMHCGVBXKIX-SOUVJXGZSA-N 1 0 244.338 2.375 1 0 BEAFRO O[C@H]1CCCC[C@@H]1N1C=[NH+][C@@H](c2ccccc2)C1 ZINC000040646026 183231459 /nfs/dbraw/zinc/23/14/59/183231459.db2.gz UOSZMHCGVBXKIX-ILXRZTDVSA-N 1 0 244.338 2.375 1 0 BEAFRO O[C@H](C[n+]1ccccc1Cl)c1ccccc1 ZINC000038142954 183227837 /nfs/dbraw/zinc/22/78/37/183227837.db2.gz NPVRSFKESQFGHJ-GFCCVEGCSA-N 1 0 234.706 2.361 1 0 BEAFRO CC(C)CN1CC[NH+]=C1Nc1ccccc1 ZINC000015924691 166973578 /nfs/dbraw/zinc/97/35/78/166973578.db2.gz JNPKJFMCJNUFGA-UHFFFAOYSA-N 1 0 217.316 2.426 3 0 BEAFRO CCC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1CC)[N@H+]2C ZINC000028259880 168252602 /nfs/dbraw/zinc/25/26/02/168252602.db2.gz PJJUIEUCPSGLBV-SRRSOLGSSA-N 1 0 209.333 2.474 1 0 BEAFRO CC[NH2+][C@H]1CCc2ccc(OC(=O)N(C)C)cc21 ZINC000013492217 170168777 /nfs/dbraw/zinc/16/87/77/170168777.db2.gz IHKBTMWREIJCDJ-ZDUSSCGKSA-N 1 0 248.326 2.344 1 0 BEAFRO CCc1[nH]c2ncc(Cl)cc2c1C1=[NH+]CCN1 ZINC000028871728 171731634 /nfs/dbraw/zinc/73/16/34/171731634.db2.gz OMCWDHBXVZZPTC-UHFFFAOYSA-N 1 0 248.717 2.129 1 0 BEAFRO CCc1sc2ncccc2c1C1=[NH+]CCN1 ZINC000028871829 172129536 /nfs/dbraw/zinc/12/95/36/172129536.db2.gz FBWIGTNWGBXHEA-UHFFFAOYSA-N 1 0 231.324 2.209 1 0 BEAFRO C[NH+]1CCC2(CO[C@H](c3ccccc3)O2)CC1 ZINC000027977801 173001949 /nfs/dbraw/zinc/00/19/49/173001949.db2.gz YHJZXQCAWNKDMX-ZDUSSCGKSA-N 1 0 233.311 2.196 1 0 BEAFRO C[N@@H+]1CCCC[C@@H]1CC(=O)c1ccco1 ZINC000013554210 173005367 /nfs/dbraw/zinc/00/53/67/173005367.db2.gz PXJZDYHQTNYCSQ-SNVBAGLBSA-N 1 0 207.273 2.337 1 0 BEAFRO C[N@@H+]1CCC[C@H]1COc1cncc(Cl)c1 ZINC000003805144 173057610 /nfs/dbraw/zinc/05/76/10/173057610.db2.gz OHBKJELOLUDRFU-JTQLQIEISA-N 1 0 226.707 2.208 1 0 BEAFRO C[N@@H+]1C[C@@H]2Cc3ccccc3[C@@](C)(C2)C1 ZINC000169319047 173189459 /nfs/dbraw/zinc/18/94/59/173189459.db2.gz IFNJCMLXRLQXFB-RISCZKNCSA-N 1 0 201.313 2.452 1 0 BEAFRO C[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccccc3)C2)C1 ZINC000001995694 173189904 /nfs/dbraw/zinc/18/99/04/173189904.db2.gz KUDHVQBOLXZJRO-GASCZTMLSA-N 1 0 230.355 2.070 1 0 BEAFRO C[N@@H+]1C[C@H]2Oc3c(cccc3O)[C@@]23CCC[C@@H]1C3 ZINC000031415405 173199681 /nfs/dbraw/zinc/19/96/81/173199681.db2.gz GGOHBAJDRFZJLG-YVLXSGLVSA-N 1 0 245.322 2.279 1 0 BEAFRO COc1ccc(C2=C[C@@H]3C[C@H](C2)C[N@H+](C)C3)cn1 ZINC000169294755 175085665 /nfs/dbraw/zinc/08/56/65/175085665.db2.gz XZMYNLLVUGBWFQ-NWDGAFQWSA-N 1 0 244.338 2.445 1 0 BEAFRO COc1ccc2c(c1)[C@H]1OCCN(C)[C@@H]1CC2 ZINC000029389465 175216908 /nfs/dbraw/zinc/21/69/08/175216908.db2.gz CFNKYTGVHRAGJS-ZIAGYGMSSA-N 1 0 233.311 2.013 1 0 BEAFRO COc1ccc2c3c1CC[N@@H+](C)C[C@H]3CC2 ZINC000027719916 175224026 /nfs/dbraw/zinc/22/40/26/175224026.db2.gz GANDSXBDUFPZDZ-LLVKDONJSA-N 1 0 217.312 2.213 1 0 BEAFRO C[C@H]1C[N@H+](C)CC[C@@H]1c1cccc(O)c1 ZINC000059767607 177234891 /nfs/dbraw/zinc/23/48/91/177234891.db2.gz RBCFJTXWESLVEO-GWCFXTLKSA-N 1 0 205.301 2.447 1 0 BEAFRO CC1=CC(=O)O[C@@H](C[C@@H]2CCCC[N@H+]2C)C1 ZINC000085662223 571787105 /nfs/dbraw/zinc/78/71/05/571787105.db2.gz JFFVCKNYHMIHTF-NWDGAFQWSA-N 1 0 223.316 2.123 1 0 endogenous,in-man BEAFRO Cc1ccc(OC[C@@H](O)[C@@H](C)[NH2+]C(C)C)cc1 ZINC000028768072 178813573 /nfs/dbraw/zinc/81/35/73/178813573.db2.gz KFKZDUNWUYMZTO-TZMCWYRMSA-N 1 0 237.343 2.121 1 0 BEAFRO Cc1nc2cc3c(cc2nc1C)[C@@H]1C[C@H]3C[NH2+]C1 ZINC000028528812 180087034 /nfs/dbraw/zinc/08/70/34/180087034.db2.gz GZAHUQFGFBFMCD-PHIMTYICSA-N 1 0 239.322 2.421 1 0 BEAFRO CC[n+]1cccc2c1CC[C@H]1[C@H](O)CCC[C@H]21 ZINC000026285293 187592925 /nfs/dbraw/zinc/59/29/25/187592925.db2.gz VLNXDCRXDURMEC-UXIGCNINSA-N 1 0 232.347 2.185 1 0 BEAFRO [NH2+]=C1N[C@H](CC2=Cc3ccccc3CC2)CO1 ZINC000013862075 181339527 /nfs/dbraw/zinc/33/95/27/181339527.db2.gz BNCBCRBRCBDEDS-CYBMUJFWSA-N 1 0 228.295 2.120 1 0 BEAFRO Nc1cccc2c1[C@@H]1C[NH2+][C@H]2[C@H]2CCC[C@H]21 ZINC000027204137 181750062 /nfs/dbraw/zinc/75/00/62/181750062.db2.gz VNZKKMGMOWIIAK-GRLOZPDXSA-N 1 0 214.312 2.427 1 0 BEAFRO Oc1cccc2ccc(C[NH2+]C3CC3)nc12 ZINC000015729200 183298947 /nfs/dbraw/zinc/29/89/47/183298947.db2.gz CVSDDNAMSPFLTA-UHFFFAOYSA-N 1 0 214.268 2.192 1 0 BEAFRO CCC[NH2+]C1Cc2c(c(OC)ccc2OC)C1 ZINC000027979421 169256182 /nfs/dbraw/zinc/25/61/82/169256182.db2.gz IUQDDCOMUSMULY-UHFFFAOYSA-N 1 0 235.327 2.171 1 0 BEAFRO CCC[NH2+][C@H]1Cc2ccc(OC)c(OC)c2C1 ZINC000029225579 169293056 /nfs/dbraw/zinc/29/30/56/169293056.db2.gz HWMXVEXPVQCNJO-NSHDSACASA-N 1 0 235.327 2.171 1 0 BEAFRO CCCc1ccccc1O[C@@H](C)C1=[NH+]CCN1 ZINC000096934308 169579103 /nfs/dbraw/zinc/57/91/03/169579103.db2.gz NFKNRFTZWQGNTI-NSHDSACASA-N 1 0 232.327 2.408 1 0 BEAFRO CCN(C)C(=O)Oc1cccc2c1[C@@H]([NH3+])CC2 ZINC000013492223 169686538 /nfs/dbraw/zinc/68/65/38/169686538.db2.gz BJBNWGJTSVNTFT-JTQLQIEISA-N 1 0 234.299 2.083 1 0 BEAFRO Brc1ccc([C@@]23C[C@@H]2C[NH2+]C3)s1 ZINC000040979667 166099269 /nfs/dbraw/zinc/09/92/69/166099269.db2.gz LSOGATNRWAQFDS-HZGVNTEJSA-N 1 0 244.157 2.372 1 0 BEAFRO CC(C)[NH2+]CC(=O)Nc1nsc2ccccc21 ZINC000040405780 167097327 /nfs/dbraw/zinc/09/73/27/167097327.db2.gz KBRZIZJPHSLRKY-UHFFFAOYSA-N 1 0 249.339 2.233 1 0 BEAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCOCC1)=CC2 ZINC000023281606 168009938 /nfs/dbraw/zinc/00/99/38/168009938.db2.gz PXWCYHMXKVZYPD-STQMWFEESA-N 1 0 221.344 2.311 1 0 BEAFRO CC[NH2+]Cc1nc2c(cnc3ccccc23)n1C ZINC000072175799 170131654 /nfs/dbraw/zinc/13/16/54/170131654.db2.gz JMXXSPJBJISKFX-UHFFFAOYSA-N 1 0 240.310 2.231 1 0 BEAFRO CCc1cn(CCC[NH3+])nc1-c1ccccc1 ZINC000026576055 171907419 /nfs/dbraw/zinc/90/74/19/171907419.db2.gz MLXLQTSSGQTXGP-UHFFFAOYSA-N 1 0 229.327 2.461 1 0 BEAFRO C[NH+]1CCC(c2nc(N)nc3ccccc32)CC1 ZINC000028759904 173001547 /nfs/dbraw/zinc/00/15/47/173001547.db2.gz ONXVYKATRKRLIJ-UHFFFAOYSA-N 1 0 242.326 2.021 1 0 BEAFRO C[N@@H+]1CCCC[C@H]1CC(=O)c1ccc(O)cc1 ZINC000014660065 173008073 /nfs/dbraw/zinc/00/80/73/173008073.db2.gz DZUIOQIFAIDHJH-LBPRGKRZSA-N 1 0 233.311 2.449 1 0 endogenous,in-man BEAFRO C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000028106935 173036412 /nfs/dbraw/zinc/03/64/12/173036412.db2.gz YIDSRQHYMDXMGU-SNVBAGLBSA-N 1 0 205.257 2.182 1 0 BEAFRO C[N@@H+]1Cc2ccccc2[C@@H]2Cc3n[nH]cc3C[C@H]21 ZINC000013556865 173202301 /nfs/dbraw/zinc/20/23/01/173202301.db2.gz NLOUPIMTFXNZQW-DZGCQCFKSA-N 1 0 239.322 2.106 1 0 BEAFRO CNC1=[NH+]N(c2cccc(C(F)(F)F)c2)CC1 ZINC000005996285 173321751 /nfs/dbraw/zinc/32/17/51/173321751.db2.gz MWRJSSGQTGTSKH-UHFFFAOYSA-N 1 0 243.232 2.448 1 0 BEAFRO COc1ccc(OC)c2c1[C@H]1CC[C@@H]2[C@@H]([NH3+])C1 ZINC000029224771 175171236 /nfs/dbraw/zinc/17/12/36/175171236.db2.gz LQLBCOIFBNVLGR-AEJSXWLSSA-N 1 0 233.311 2.396 1 0 BEAFRO COc1nn(C[C@H](C)[NH3+])c2c3ccoc3ccc12 ZINC000000017686 175416432 /nfs/dbraw/zinc/41/64/32/175416432.db2.gz HNRQZIBKSIMGFC-QMMMGPOBSA-N 1 0 245.282 2.138 1 0 BEAFRO C[C@@H]1CC[NH2+]C[C@H]1COc1ccc2c(c1)OCO2 ZINC000029040434 176185282 /nfs/dbraw/zinc/18/52/82/176185282.db2.gz JGWYRFSDWLADFU-MNOVXSKESA-N 1 0 249.310 2.040 1 0 BEAFRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)C[C@@H]1O ZINC000013152315 177266234 /nfs/dbraw/zinc/26/62/34/177266234.db2.gz LDTHAFXMNUJREZ-OBJOEFQTSA-N 1 0 219.328 2.278 1 0 BEAFRO C[C@H]1C[C@@](O)(Cc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000013118311 177352778 /nfs/dbraw/zinc/35/27/78/177352778.db2.gz YSGPBYGQFUGPJJ-KCQAQPDRSA-N 1 0 233.355 2.320 1 0 BEAFRO Cc1cc2c(c(N(C)C)c1)N[C@H]1CC[N@H+](C)C[C@@H]21 ZINC000053160110 178283930 /nfs/dbraw/zinc/28/39/30/178283930.db2.gz MRLBAQIXWSNUKC-STQMWFEESA-N 1 0 245.370 2.274 1 0 BEAFRO CC(=O)O[C@H]1[C@@H]2CC[C@H]1CC[C@H]2[NH+]1CCCC1 ZINC000004124610 187246944 /nfs/dbraw/zinc/24/69/44/187246944.db2.gz CZWCEQDXTOFCIV-REWJHTLYSA-N 1 0 237.343 2.203 1 0 BEAFRO C1=[NH+]C[C@H](C[C@@]23C[C@@H]2c2ccccc2CC3)N1 ZINC000013862125 187251065 /nfs/dbraw/zinc/25/10/65/187251065.db2.gz UBVJBBCZXIOSMF-CFVMTHIKSA-N 1 0 226.323 2.497 1 0 BEAFRO Clc1ccc(C2=C[C@@H]3CC[C@H]2[NH2+]3)cn1 ZINC000073222870 187277160 /nfs/dbraw/zinc/27/71/60/187277160.db2.gz RHTFAESMBKOKAX-WCBMZHEXSA-N 1 0 206.676 2.253 1 0 BEAFRO C/C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1([NH3+])C[C@@H](C)C2 ZINC000070450864 290761917 /nfs/dbraw/zinc/76/19/17/290761917.db2.gz PWWSISOORXDCMX-AVIYOAGYSA-N 1 0 244.338 2.077 1 0 biogenic,in-vitro BEAFRO CC(=O)O[C@@H]1C[C@H]2C[C@@H]1[N@H+](Cc1ccccc1)C2 ZINC000026284561 188283307 /nfs/dbraw/zinc/28/33/07/188283307.db2.gz XFDLNDUXOKYOCU-QLFBSQMISA-N 1 0 245.322 2.213 1 0 BEAFRO NC(=[NH2+])N1CC23CC45CC2(C1)CC4(C3)CCCC5 ZINC000103285885 181188539 /nfs/dbraw/zinc/18/85/39/181188539.db2.gz KMLDGRLMXQUCFB-UHFFFAOYSA-N 1 0 245.370 2.316 1 0 BEAFRO [NH3+]CCCc1nnc(-c2c[nH]c3ccccc23)o1 ZINC000083370385 181388488 /nfs/dbraw/zinc/38/84/88/181388488.db2.gz ZHPSNHCHBQEJED-UHFFFAOYSA-N 1 0 242.282 2.109 2 0 BEAFRO [NH3+]CCNc1nccc2c3ccccc3[nH]c21 ZINC000064446514 181398646 /nfs/dbraw/zinc/39/86/46/181398646.db2.gz HNQKUWFHUICLCM-UHFFFAOYSA-N 1 0 226.283 2.087 1 0 BEAFRO O[C@H]1CCCC[C@H]1[NH+]1CC2CCC(CC2)C1 ZINC000028234924 183232295 /nfs/dbraw/zinc/23/22/95/183232295.db2.gz IARIRTLONWFFST-PQAZSJQKSA-N 1 0 223.360 2.412 1 0 BEAFRO CCC[N@@H+]1CCO[C@@H](c2cccc(N)c2)C1 ZINC000028957373 169205470 /nfs/dbraw/zinc/20/54/70/169205470.db2.gz UWWNEOYAHOEACI-CYBMUJFWSA-N 1 0 220.316 2.052 1 0 BEAFRO c1cc2cc3c(cc2cn1)[C@@H]1C[C@H]3C[NH2+]C1 ZINC000028528456 183376047 /nfs/dbraw/zinc/37/60/47/183376047.db2.gz BLDJOJAEPAFBIC-NWDGAFQWSA-N 1 0 210.280 2.409 1 0 BEAFRO CC(C)Oc1ccc2c(c1)[C@H](O)[C@@H]([NH3+])CCC2 ZINC000026645658 167302651 /nfs/dbraw/zinc/30/26/51/167302651.db2.gz SIDIHZUNMAKELI-KBPBESRZSA-N 1 0 235.327 2.171 1 0 BEAFRO CCC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1CC)[N@H+]2C ZINC000169367068 168253015 /nfs/dbraw/zinc/25/30/15/168253015.db2.gz PJJUIEUCPSGLBV-MEWQQHAOSA-N 1 0 209.333 2.474 1 0 BEAFRO CC[N@@H+]1CCO[C@@H]2c3ccc(O)cc3CC[C@H]21 ZINC000029341641 170004451 /nfs/dbraw/zinc/00/44/51/170004451.db2.gz OADROXWBYMSSKW-ZIAGYGMSSA-N 1 0 233.311 2.100 1 0 BEAFRO CC[C@H](C)[C@H]([NH3+])C(=O)N1Cc2cccc(C)c2C1 ZINC000040892260 171394307 /nfs/dbraw/zinc/39/43/07/171394307.db2.gz KMJHOPHIQOKJAB-HZMBPMFUSA-N 1 0 246.354 2.211 1 0 BEAFRO C[NH+](C)CCCC[S@@](=O)c1ccccc1 ZINC000096941615 172430178 /nfs/dbraw/zinc/43/01/78/172430178.db2.gz JDERSRAYRIVHQN-HNNXBMFYSA-N 1 0 225.357 2.136 1 0 BEAFRO C[N@@H+]1CCCC[C@@H]1CC(=O)c1ccc(O)cc1 ZINC000014660062 173004418 /nfs/dbraw/zinc/00/44/18/173004418.db2.gz DZUIOQIFAIDHJH-GFCCVEGCSA-N 1 0 233.311 2.449 1 0 endogenous,in-man BEAFRO C[N@@H+]1CC[C@@](O)(c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000004007209 173138281 /nfs/dbraw/zinc/13/82/81/173138281.db2.gz KBAOXKUYIGCMEM-QLFBSQMISA-N 1 0 231.339 2.378 1 0 BEAFRO C[N@H+]1C[C@H]2C=C(c3cccnc3)C[C@H](C2)C1 ZINC000095571633 173189009 /nfs/dbraw/zinc/18/90/09/173189009.db2.gz PWXQAVZNBKKQOF-NEPJUHHUSA-N 1 0 214.312 2.437 1 0 BEAFRO C[N@H+]1[C@H]2C=C(c3cccnc3)C[C@@H]1CC2 ZINC000000007501 173206856 /nfs/dbraw/zinc/20/68/56/173206856.db2.gz OZAJXVSFXYHSBL-OLZOCXBDSA-N 1 0 200.285 2.332 1 0 BEAFRO COc1cc2cc[nH+]c3ccn(C)c(c1O)c23 ZINC000013223253 175027368 /nfs/dbraw/zinc/02/73/68/175027368.db2.gz MPBUGSHDXOJPKR-UHFFFAOYSA-N 1 0 228.251 2.441 1 0 BEAFRO COc1ccc(Nc2[nH]cc[nH+]2)c(C)c1OC ZINC000013760748 175156461 /nfs/dbraw/zinc/15/64/61/175156461.db2.gz AMBHHYSUKMHFDB-UHFFFAOYSA-N 1 0 233.271 2.479 1 0 BEAFRO COc1ccc(OC2=CC[N@H+](C)CC2)cc1 ZINC000013603027 175171333 /nfs/dbraw/zinc/17/13/33/175171333.db2.gz XDEZOSPTTCSOQY-UHFFFAOYSA-N 1 0 219.284 2.293 1 0 BEAFRO COc1ccc2c(c1OC)C[C@H]([NH2+]C(C)C)C2 ZINC000029221946 175222933 /nfs/dbraw/zinc/22/29/33/175222933.db2.gz PZAIVDRTXMLAJV-LLVKDONJSA-N 1 0 235.327 2.169 1 0 BEAFRO O=C1CCCC2=C3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000033830582 560088767 /nfs/dbraw/zinc/08/87/67/560088767.db2.gz CDDHEMJXKBELBO-NHYWBVRUSA-N 1 0 246.354 2.141 1 0 biogenic,in-vitro BEAFRO CC1=CC(=O)O[C@H](C[C@@H]2CCCC[N@H+]2C)C1 ZINC000015148369 571732808 /nfs/dbraw/zinc/73/28/08/571732808.db2.gz JFFVCKNYHMIHTF-RYUDHWBXSA-N 1 0 223.316 2.123 1 0 endogenous,in-man BEAFRO Cc1cc2c(ccc3cnn(C[C@H](C)[NH3+])c32)o1 ZINC000029124628 178292962 /nfs/dbraw/zinc/29/29/62/178292962.db2.gz IYCYBBKOARJBGP-QMMMGPOBSA-N 1 0 229.283 2.438 1 0 BEAFRO C1=[NH+]C[C@@]2(CCc3cc4c(cc3C2)CCC4)N1 ZINC000013743763 187251096 /nfs/dbraw/zinc/25/10/96/187251096.db2.gz MOPSRKSOGJMCIE-HNNXBMFYSA-N 1 0 226.323 2.034 1 0 BEAFRO CC1SC(=[N+]2CCCCC2)SC1=S ZINC000033373289 343252646 /nfs/dbraw/zinc/25/26/46/343252646.db2.gz KOLGLIRKOIDCDG-UHFFFAOYSA-O 1 0 232.419 2.363 2 0 BEAFRO CC1(C)CC(=CCc2ccccc2)[N+](=O)[C@@H]1O ZINC000096901406 187289473 /nfs/dbraw/zinc/28/94/73/187289473.db2.gz MBXPTBYNGYQGCN-MMQHEFTJSA-N 1 0 231.295 2.399 1 0 BEAFRO Cc1n(C)cc[n+]1CO[C@H](C)C(C)(C)C ZINC000027553766 179810297 /nfs/dbraw/zinc/81/02/97/179810297.db2.gz SGQWBLZOAMEWFW-SNVBAGLBSA-N 1 0 211.329 2.030 1 0 BEAFRO Cc1nc2cc3c(cc2n1C)[C@H]1C[C@@H]3C[NH2+]C1 ZINC000028528804 180086727 /nfs/dbraw/zinc/08/67/27/180086727.db2.gz SOBKRFVVZYOGEO-ZJUUUORDSA-N 1 0 227.311 2.056 1 0 BEAFRO Clc1ccc2c(n1)CC[C@]21C[C@H]2CC[C@@H]1[NH2+]2 ZINC000028007354 180587835 /nfs/dbraw/zinc/58/78/35/180587835.db2.gz WHUNCWUSPHKGSY-WLTAIBSBSA-N 1 0 234.730 2.443 1 0 BEAFRO C/C(=C\[C@@H]1c2cccc3[nH]cc(c32)C[C@H]1[NH3+])CO ZINC000013385419 188254440 /nfs/dbraw/zinc/25/44/40/188254440.db2.gz QPYLOULWBAJLGK-UDHZEARHSA-N 1 0 242.322 2.074 1 0 BEAFRO CC[n+]1cccc2c1CC[C@H]1CC[C@H](O)C[C@H]21 ZINC000026270692 188282991 /nfs/dbraw/zinc/28/29/91/188282991.db2.gz YJWXSCWKVFHACU-DYEKYZERSA-N 1 0 232.347 2.185 1 0 BEAFRO c1ccc(C2=CCC[C@H]3CC[C@@H]2[NH2+]3)nc1 ZINC000026966978 188283302 /nfs/dbraw/zinc/28/33/02/188283302.db2.gz KAFONDJFZVCZCU-GWCFXTLKSA-N 1 0 200.285 2.379 1 0 BEAFRO CCCCc1noc([C@H]2C[NH+]3CCC2CC3)n1 ZINC000001547054 169031974 /nfs/dbraw/zinc/03/19/74/169031974.db2.gz ISNGKKMSOUVHQA-NSHDSACASA-N 1 0 235.331 2.221 1 0 BEAFRO O[C@@H](c1ccccc1)[C@@H]1CC2CC[NH+]1CC2 ZINC000029546330 183185684 /nfs/dbraw/zinc/18/56/84/183185684.db2.gz PWPTXBISWPQFLV-KBPBESRZSA-N 1 0 217.312 2.204 1 0 BEAFRO CCC[N@@H+]1Cc2cccc3nnn(c32)C[C@H]1C ZINC000006380315 169211261 /nfs/dbraw/zinc/21/12/61/169211261.db2.gz YYXDPSDTVPZYQQ-SNVBAGLBSA-N 1 0 230.315 2.045 1 0 BEAFRO CCC[NH2+]CC(=O)Nc1nsc2ccccc21 ZINC000040916735 169255446 /nfs/dbraw/zinc/25/54/46/169255446.db2.gz JXJQVWSYZNMGNW-UHFFFAOYSA-N 1 0 249.339 2.234 1 0 BEAFRO c1ccc(C2=NO[C@@]3(C2)C[NH+]2CCC3CC2)cc1 ZINC000073167906 183388770 /nfs/dbraw/zinc/38/87/70/183388770.db2.gz OMWHTBCRWFRNTK-HNNXBMFYSA-N 1 0 242.322 2.275 1 0 BEAFRO CCC[NH2+]Cc1cc2ccccc2oc1=O ZINC000103269029 169266867 /nfs/dbraw/zinc/26/68/67/169266867.db2.gz CJBPGDPRUYWCPW-UHFFFAOYSA-N 1 0 217.268 2.293 1 0 BEAFRO CC(C)Oc1ccc2c(c1)[C@@H](O)[C@@H]([NH3+])CCC2 ZINC000026645667 167302539 /nfs/dbraw/zinc/30/25/39/167302539.db2.gz SIDIHZUNMAKELI-UONOGXRCSA-N 1 0 235.327 2.171 1 0 BEAFRO CC(C)Oc1ccc2c(c1)CC[C@]1(C[NH+]=CN1)C2 ZINC000013743735 167303114 /nfs/dbraw/zinc/30/31/14/167303114.db2.gz XXCYHDQGTVULPM-OAHLLOKOSA-N 1 0 244.338 2.333 1 0 BEAFRO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCC[C@H]1CO)=CC2 ZINC000000212377 168009923 /nfs/dbraw/zinc/00/99/23/168009923.db2.gz MTWNYZLGPQWNAM-IHRRRGAJSA-N 1 0 235.371 2.436 1 0 BEAFRO CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1CC)[N@H+]2C ZINC000013736161 168253794 /nfs/dbraw/zinc/25/37/94/168253794.db2.gz PJJUIEUCPSGLBV-KQXIARHKSA-N 1 0 209.333 2.474 1 0 BEAFRO CC[N@H+]1CCc2cc3nc(N)sc3cc2CC1 ZINC000095584367 170025770 /nfs/dbraw/zinc/02/57/70/170025770.db2.gz JWBVNNFHWXWIGX-UHFFFAOYSA-N 1 0 247.367 2.299 1 0 BEAFRO CC[NH2+][C@H]1[C@H]2[C@@H]3[C@@H]4C[C@H]2[C@H]2[C@@H]4C[C@@H]3[C@]21C ZINC000027898970 170169435 /nfs/dbraw/zinc/16/94/35/170169435.db2.gz PICQZWRBGKFMON-NGVBUYDGSA-N 1 0 203.329 2.132 1 0 BEAFRO CN1CC[N@H+](C)[C@@H](C23CC4CC(CC(C4)C2)C3)C1 ZINC000028817672 173072642 /nfs/dbraw/zinc/07/26/42/173072642.db2.gz MZTNGIAWUSMLEO-IBHBGHMQSA-N 1 0 248.414 2.449 1 0 BEAFRO C[N@@H+]1CC[C@@]2(C1)CCCc1cc(O)ccc12 ZINC000027722560 173165692 /nfs/dbraw/zinc/16/56/92/173165692.db2.gz MQXLGPFGUDOQBJ-CQSZACIVSA-N 1 0 217.312 2.302 1 0 BEAFRO C[N@@H+]1C[C@H]2Oc3cc(O)ccc3[C@@]23CCC[C@@H]1C3 ZINC000027862859 173199559 /nfs/dbraw/zinc/19/95/59/173199559.db2.gz QDIFHGMUGAIVEJ-KMUNFCNLSA-N 1 0 245.322 2.279 1 0 BEAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccco1)C2 ZINC000000174800 173205799 /nfs/dbraw/zinc/20/57/99/173205799.db2.gz JBTLJHIQAFDIPV-ZACCUICWSA-N 1 0 235.283 2.062 1 0 BEAFRO CO[P@](C)(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000006403273 174917173 /nfs/dbraw/zinc/91/71/73/174917173.db2.gz UCMWVGJCHNCJTL-YGRLFVJLSA-N 1 0 213.217 2.068 1 0 BEAFRO COc1c(Cl)ccc2c1[C@@H](C)NC(=[NH2+])N2 ZINC000029131429 174930655 /nfs/dbraw/zinc/93/06/55/174930655.db2.gz JBVXDZODHTVXQZ-RXMQYKEDSA-N 1 0 225.679 2.359 1 0 BEAFRO COc1ccc(/C(=C/Br)C[NH3+])cc1 ZINC000026577911 175045636 /nfs/dbraw/zinc/04/56/36/175045636.db2.gz OSAMAGVXEVEGTC-RMKNXTFCSA-N 1 0 242.116 2.390 1 0 BEAFRO COc1ccc([C@@H]2CCC[N@@H+]2C)cc1OC ZINC000028021599 175182681 /nfs/dbraw/zinc/18/26/81/175182681.db2.gz LDILHEINTZRACH-NSHDSACASA-N 1 0 221.300 2.471 1 0 BEAFRO COc1ccc2c(c1OC)C[C@@H]([NH2+]C(C)C)C2 ZINC000029221951 175223053 /nfs/dbraw/zinc/22/30/53/175223053.db2.gz PZAIVDRTXMLAJV-NSHDSACASA-N 1 0 235.327 2.169 1 0 BEAFRO COc1ccc2cc3c(cc2n1)[C@H]1C[C@@H]3C[NH2+]C1 ZINC000028528895 175226029 /nfs/dbraw/zinc/22/60/29/175226029.db2.gz CAONSCPWSFMLMS-MNOVXSKESA-N 1 0 240.306 2.418 1 0 BEAFRO CCCCc1noc(C2=C[C@H](C)C[NH2+]C2)n1 ZINC000013820189 187251206 /nfs/dbraw/zinc/25/12/06/187251206.db2.gz WCENAKFFYLPIPK-VIFPVBQESA-N 1 0 221.304 2.035 1 0 BEAFRO CC(=O)O[C@H]1C[C@H]2C[C@@H]1C[N@@H+]2Cc1ccccc1 ZINC000013456318 187251294 /nfs/dbraw/zinc/25/12/94/187251294.db2.gz CEYKSYHOKKXLMF-KFWWJZLASA-N 1 0 245.322 2.213 1 0 BEAFRO CC(C)(O)c1ccc2c(c1)C[C@H]1C[NH2+]C[C@@H]2C1 ZINC000028474654 187255511 /nfs/dbraw/zinc/25/55/11/187255511.db2.gz QSGXLBLODQIGSD-PWSUYJOCSA-N 1 0 231.339 2.163 1 0 BEAFRO Cc1cccc(C)c1O[C@@H](C)C1=[NH+]CCN1C ZINC000027713964 179048338 /nfs/dbraw/zinc/04/83/38/179048338.db2.gz GSECFRJNUWQKIG-LBPRGKRZSA-N 1 0 232.327 2.415 1 0 BEAFRO CC(=O)O[C@H]1CCCC[C@H]1[NH+]1CCCCC1 ZINC000001720338 188269229 /nfs/dbraw/zinc/26/92/29/188269229.db2.gz VNDGSLDSEDHJLE-OLZOCXBDSA-N 1 0 225.332 2.347 1 0 BEAFRO C/C=C1\[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1([NH3+])C[C@@H](C)C2 ZINC000003785210 188275947 /nfs/dbraw/zinc/27/59/47/188275947.db2.gz PWWSISOORXDCMX-OOPVPQJQSA-N 1 0 244.338 2.077 1 0 BEAFRO On1cc(C2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000049069328 188298494 /nfs/dbraw/zinc/29/84/94/188298494.db2.gz ANXSGXNESLKHJQ-UHFFFAOYSA-N 1 0 243.310 2.254 1 0 BEAFRO NC1=[NH+]C[C@@H](CC2=Cc3ccccc3CC2)O1 ZINC000013862076 181338895 /nfs/dbraw/zinc/33/88/95/181338895.db2.gz WSWSUWJOQJJFLO-CYBMUJFWSA-N 1 0 228.295 2.120 1 0 BEAFRO [NH3+]CC[C@@H]1CC[C@H](CCc2ccc(O)cc2)O1 ZINC000040865758 181405738 /nfs/dbraw/zinc/40/57/38/181405738.db2.gz XXFWDPHWYVNJQG-KBPBESRZSA-N 1 0 235.327 2.221 1 0 BEAFRO O[C@@H]1CCCC[C@@H]1[NH+]1CC2CCC(CC2)C1 ZINC000028234912 183188022 /nfs/dbraw/zinc/18/80/22/183188022.db2.gz IARIRTLONWFFST-CLRIEMFWSA-N 1 0 223.360 2.412 1 0 BEAFRO O[C@H]1CCCC[C@@H]1[NH+]1CC2CCC(CC2)C1 ZINC000028234915 183232001 /nfs/dbraw/zinc/23/20/01/183232001.db2.gz IARIRTLONWFFST-HOAMVYINSA-N 1 0 223.360 2.412 1 0 BEAFRO CCC[N@@H+](c1ccncc1)n1ccc(C=O)c1 ZINC000013746004 169183435 /nfs/dbraw/zinc/18/34/35/169183435.db2.gz NVMMEAZQVGNMQV-UHFFFAOYSA-N 1 0 229.283 2.375 1 0 BEAFRO CCC[N@@H+]1Cc2cccc3c2N(C[C@@H]1C)C(=O)C3 ZINC000006380260 169211722 /nfs/dbraw/zinc/21/17/22/169211722.db2.gz SOZQLUSKSKNOHD-NSHDSACASA-N 1 0 244.338 2.190 1 0 BEAFRO c1cc2cc3c(cc2cn1)[C@H]1C[C@@H]3C[NH2+]C1 ZINC000028528457 183376458 /nfs/dbraw/zinc/37/64/58/183376458.db2.gz BLDJOJAEPAFBIC-NEPJUHHUSA-N 1 0 210.280 2.409 1 0 BEAFRO CCCNC(=O)Oc1ccc2c(c1)[C@@H]([NH3+])CC2 ZINC000013492211 169241180 /nfs/dbraw/zinc/24/11/80/169241180.db2.gz IRBMYPWDNDKKOG-LBPRGKRZSA-N 1 0 234.299 2.131 1 0 BEAFRO CCC[NH2+][C@@H]1Cc2ccc(OC)c(OC)c2C1 ZINC000029225572 169283985 /nfs/dbraw/zinc/28/39/85/169283985.db2.gz HWMXVEXPVQCNJO-LLVKDONJSA-N 1 0 235.327 2.171 1 0 BEAFRO c1[nH]nc2c1C[C@H]([NH2+]CCc1ccccc1)CC2 ZINC000026486743 183394630 /nfs/dbraw/zinc/39/46/30/183394630.db2.gz OVLLSQWJAWLJFE-CQSZACIVSA-N 1 0 241.338 2.099 1 0 BEAFRO c1ccc(N[n+]2ccc3ccccc3c2)nc1 ZINC000000386926 384165548 /nfs/dbraw/zinc/16/55/48/384165548.db2.gz OLJDECQAGVXKNW-UHFFFAOYSA-N 1 0 222.271 2.398 1 0 BEAFRO CN(CC[NH+](C)C)CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000019634270 384530884 /nfs/dbraw/zinc/53/08/84/384530884.db2.gz WVLFFSJUSYPZAZ-KBPBESRZSA-N 1 0 236.403 2.472 1 0 BEAFRO CCC[C@H]1C[NH2+]CCN1c1ccc2n[nH]cc2c1 ZINC000053276423 132362986 /nfs/dbraw/zinc/36/29/86/132362986.db2.gz SKRQWFVNZMYZQL-ZDUSSCGKSA-N 1 0 244.342 2.141 1 0 BEAFRO CCC(C)(C)[C@H]1CCc2[nH+]c(N)nc(N)c2C1 ZINC000045187614 168305074 /nfs/dbraw/zinc/30/50/74/168305074.db2.gz HYTLJJPISCCVOL-QMMMGPOBSA-N 1 0 234.347 2.182 1 0 BEAFRO CC[N@@H+]1CCO[C@H]2c3ccccc3CC[C@H]21 ZINC000029339383 170005940 /nfs/dbraw/zinc/00/59/40/170005940.db2.gz NPVDDTAIFUHPJI-KGLIPLIRSA-N 1 0 217.312 2.395 1 0 BEAFRO C[NH+]1CCC2(CO[C@@H](c3ccccc3)O2)CC1 ZINC000027977796 173001912 /nfs/dbraw/zinc/00/19/12/173001912.db2.gz YHJZXQCAWNKDMX-CYBMUJFWSA-N 1 0 233.311 2.196 1 0 BEAFRO C[N@@H+]1CCCC[C@H]1CC(=O)c1ccccn1 ZINC000013554215 173008422 /nfs/dbraw/zinc/00/84/22/173008422.db2.gz LXGBAZQTFHNCQH-NSHDSACASA-N 1 0 218.300 2.139 1 0 BEAFRO C[N@@H+]1CCC[C@H]1COc1ccc(F)c(F)c1 ZINC000026381051 173056950 /nfs/dbraw/zinc/05/69/50/173056950.db2.gz DMZIGVZLMDFYKV-VIFPVBQESA-N 1 0 227.254 2.438 1 0 BEAFRO C[N@@H+]1CC[C@]2(C1)CCCc1cc(O)ccc12 ZINC000027722556 173138168 /nfs/dbraw/zinc/13/81/68/173138168.db2.gz MQXLGPFGUDOQBJ-AWEZNQCLSA-N 1 0 217.312 2.302 1 0 BEAFRO C[NH2+]CCC[C@@H]1CCO[C@H](c2ccccc2)O1 ZINC000071281979 173350434 /nfs/dbraw/zinc/35/04/34/173350434.db2.gz VHMOMQNESQLELI-KGLIPLIRSA-N 1 0 235.327 2.490 1 0 BEAFRO C[NH2+]CCNc1nnc(-c2ccccc2)cc1C ZINC000027564541 173356856 /nfs/dbraw/zinc/35/68/56/173356856.db2.gz FAXNSIHPVPBXIA-UHFFFAOYSA-N 1 0 242.326 2.083 1 0 BEAFRO C[NH2+]Cc1c2c(C)nn(C)c2nc2ccccc21 ZINC000169328174 173385247 /nfs/dbraw/zinc/38/52/47/173385247.db2.gz MLLDLSZXXYRRAX-UHFFFAOYSA-N 1 0 240.310 2.149 1 0 BEAFRO COc1cc(NCCC[NH3+])c2nccc(C)c2c1 ZINC000082309811 175001459 /nfs/dbraw/zinc/00/14/59/175001459.db2.gz IEFHFLKKJYUSQB-UHFFFAOYSA-N 1 0 245.326 2.313 1 0 BEAFRO COc1cc([C@@H]2CCC[N@@H+]2C)ccc1O ZINC000028108456 175015279 /nfs/dbraw/zinc/01/52/79/175015279.db2.gz MKNJAVPDWZKCHO-JTQLQIEISA-N 1 0 207.273 2.168 1 0 BEAFRO COc1cc2c(cc1O)[C@@H]1CCC[N@@H+]1CC2 ZINC000169309104 175023879 /nfs/dbraw/zinc/02/38/79/175023879.db2.gz DWRNFZKLXGRMQH-NSHDSACASA-N 1 0 219.284 2.094 1 0 BEAFRO COc1ccc(F)c2c1CC(C)(C)[N+](=O)C2 ZINC000040818114 175126941 /nfs/dbraw/zinc/12/69/41/175126941.db2.gz QXPWYDUWJNOBMK-UHFFFAOYSA-N 1 0 223.247 2.098 1 0 BEAFRO COc1ccc(OC)c2c1CC[C@@H]1[NH2+]CCC[C@@H]21 ZINC000029220540 175170935 /nfs/dbraw/zinc/17/09/35/175170935.db2.gz KZNMPLOCPFLSKP-PWSUYJOCSA-N 1 0 247.338 2.486 1 0 BEAFRO COc1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000101387196 175285185 /nfs/dbraw/zinc/28/51/85/175285185.db2.gz IQNGYWRUWKYNSE-GNXNZQSNSA-N 1 0 233.311 2.357 1 0 BEAFRO CC1=CC(=O)O[C@H](C[C@H]2CCCC[N@H+]2C)C1 ZINC000015148367 571732891 /nfs/dbraw/zinc/73/28/91/571732891.db2.gz JFFVCKNYHMIHTF-NEPJUHHUSA-N 1 0 223.316 2.123 1 0 endogenous,in-man BEAFRO Cc1cc(OC[C@@H](C)[NH+](C)C)cnc1Cl ZINC000013819637 178210962 /nfs/dbraw/zinc/21/09/62/178210962.db2.gz OANRRFPCPUJRJC-SECBINFHSA-N 1 0 228.723 2.372 1 0 BEAFRO Cc1cc2[nH]c3c[n+](C)ccc3c2c(C)c1O ZINC000040865557 178276645 /nfs/dbraw/zinc/27/66/45/178276645.db2.gz KTULVYAQCPFJND-UHFFFAOYSA-O 1 0 227.287 2.468 1 0 BEAFRO C(\c1cccnc1)=C1\C[NH+]2CCC1CC2 ZINC000000006870 187244477 /nfs/dbraw/zinc/24/44/77/187244477.db2.gz WQVOCWHVRYZKFN-MDWZMJQESA-N 1 0 200.285 2.191 1 0 BEAFRO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1C ZINC000028226613 187255798 /nfs/dbraw/zinc/25/57/98/187255798.db2.gz ZMWIDYCUFHNGLQ-ZIAGYGMSSA-N 1 0 247.338 2.428 1 0 BEAFRO Cc1cccc(OC[C@H](O)[C@@H](C)[NH2+]C(C)C)c1 ZINC000028767515 179172469 /nfs/dbraw/zinc/17/24/69/179172469.db2.gz OZEUAEOWIJXINK-OCCSQVGLSA-N 1 0 237.343 2.121 1 0 BEAFRO Fc1ccc(C2=C[C@H]3C[NH2+]C[C@@H](C2)C3)cn1 ZINC000095575083 180962578 /nfs/dbraw/zinc/96/25/78/180962578.db2.gz CRPBMTGSCRKOBR-VHSXEESVSA-N 1 0 218.275 2.234 1 0 BEAFRO Fc1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000101387177 181003172 /nfs/dbraw/zinc/00/31/72/181003172.db2.gz XWDJHMXLIXWQGQ-PTEHBNRSSA-N 1 0 221.275 2.488 1 0 BEAFRO NC(=[NH2+])Oc1ccc(Cc2ccc(O)cc2)cc1 ZINC000040379292 181191072 /nfs/dbraw/zinc/19/10/72/181191072.db2.gz NLBCVCFTVIXDBE-UHFFFAOYSA-N 1 0 242.278 2.255 1 0 BEAFRO CC1=c2cc[nH+]cc2=C(C)[C@H]2c3ccccc3N=C12 ZINC000205450092 358442629 /nfs/dbraw/zinc/44/26/29/358442629.db2.gz SUYXJDLXGFPMCQ-INIZCTEOSA-N 1 0 246.313 2.306 1 0 BEAFRO NC1=[NH+]CC[C@]1(c1ccccc1)c1ccccn1 ZINC000005593592 181339539 /nfs/dbraw/zinc/33/95/39/181339539.db2.gz BUXCXIMTSPEAGF-HNNXBMFYSA-N 1 0 237.306 2.129 1 0 BEAFRO O[C@H]1CCCC[C@H]1N1C=[NH+][C@H](c2ccccc2)C1 ZINC000028231289 183232473 /nfs/dbraw/zinc/23/24/73/183232473.db2.gz UOSZMHCGVBXKIX-ZNMIVQPWSA-N 1 0 244.338 2.375 1 0 BEAFRO Oc1ccc2c(c1)[C@H]1CC[N@@H+](CC3CC3)C[C@@H]1O2 ZINC000045337355 183283203 /nfs/dbraw/zinc/28/32/03/183283203.db2.gz YFMAKEYSGUDBMC-DOMZBBRYSA-N 1 0 245.322 2.353 1 0 BEAFRO CCC[N@@H+]1Cc2cccc3nnn(c32)C[C@@H]1C ZINC000006380311 169210913 /nfs/dbraw/zinc/21/09/13/169210913.db2.gz YYXDPSDTVPZYQQ-JTQLQIEISA-N 1 0 230.315 2.045 1 0 BEAFRO CCCNc1cncc(N(C)CCC)c1C[NH3+] ZINC000028116838 169295552 /nfs/dbraw/zinc/29/55/52/169295552.db2.gz DDCUEBYJBWDGDD-UHFFFAOYSA-N 1 0 236.363 2.208 1 0 BEAFRO CC(C)C[NH2+]CCCCCc1c[nH]cn1 ZINC000013685888 167002164 /nfs/dbraw/zinc/00/21/64/167002164.db2.gz VOXJNIGKOFAGBU-UHFFFAOYSA-N 1 0 209.337 2.368 1 0 BEAFRO CCN1c2ccc(Cl)cc2C[C@@H]1C1=[NH+]CCN1 ZINC000028015041 170041928 /nfs/dbraw/zinc/04/19/28/170041928.db2.gz UCXJMUARDWIJSJ-GFCCVEGCSA-N 1 0 249.745 2.093 1 0 BEAFRO CC[C@@]12CC[N@H+](C)C[C@@H]1Oc1ccc(O)cc12 ZINC000026376088 171218083 /nfs/dbraw/zinc/21/80/83/171218083.db2.gz WYHZNSRQYYJYTK-KBPBESRZSA-N 1 0 233.311 2.137 1 0 BEAFRO C[NH+](C)[C@@H](c1ccccc1)C1(C)COCOC1 ZINC000039215616 172522026 /nfs/dbraw/zinc/52/20/26/172522026.db2.gz PRUYILAFUFMQGD-ZDUSSCGKSA-N 1 0 235.327 2.300 1 0 BEAFRO C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000028108468 173037028 /nfs/dbraw/zinc/03/70/28/173037028.db2.gz ARMZCQHPPXIFAD-LLVKDONJSA-N 1 0 219.284 2.225 1 0 BEAFRO C[N@@H+]1CCC[C@H]1COc1cccc(F)c1F ZINC000026381342 173055866 /nfs/dbraw/zinc/05/58/66/173055866.db2.gz TVSRYBBMEZFPRX-VIFPVBQESA-N 1 0 227.254 2.438 1 0 BEAFRO C[N@@H+]1CCC[C@H]1[C@@H]1CCc2ccc(O)cc2O1 ZINC000013471348 173058640 /nfs/dbraw/zinc/05/86/40/173058640.db2.gz ZNYNSJDQHMXNFR-STQMWFEESA-N 1 0 233.311 2.180 1 0 BEAFRO C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000028106941 173060441 /nfs/dbraw/zinc/06/04/41/173060441.db2.gz YIDSRQHYMDXMGU-JTQLQIEISA-N 1 0 205.257 2.182 1 0 BEAFRO C[N@@H+]1CCC[C@H]1[C@H]1CCc2ccc(O)cc2O1 ZINC000013471350 173060485 /nfs/dbraw/zinc/06/04/85/173060485.db2.gz ZNYNSJDQHMXNFR-QWHCGFSZSA-N 1 0 233.311 2.180 1 0 BEAFRO C[N@@H+]1CC[C@]23CCC[C@H]1[C@H]2Oc1c3cccc1O ZINC000027765393 173166758 /nfs/dbraw/zinc/16/67/58/173166758.db2.gz NEEUHMCLVMVASY-GLQYFDAESA-N 1 0 245.322 2.279 1 0 BEAFRO C[NH+]=C1NCc2c3ccccc3[nH]c2S1 ZINC000096938441 173322323 /nfs/dbraw/zinc/32/23/23/173322323.db2.gz PFLGAZXHUFODFM-UHFFFAOYSA-N 1 0 217.297 2.349 1 0 BEAFRO C[NH2+][C@]12C[C@@H](O)CC[C@@H]1CCc1ccccc12 ZINC000026149280 173470570 /nfs/dbraw/zinc/47/05/70/173470570.db2.gz IBIVSJYTRPZVOL-KCQAQPDRSA-N 1 0 231.339 2.209 1 0 BEAFRO COc1cc2cccnc2c(N[C@@H](C)CC[NH3+])c1 ZINC000169322701 175003079 /nfs/dbraw/zinc/00/30/79/175003079.db2.gz ZBNVUTPGZIDATC-JTQLQIEISA-N 1 0 245.326 2.393 1 0 BEAFRO COc1cc([C@H]2CCC[N@@H+]2C)ccc1O ZINC000028108462 175016664 /nfs/dbraw/zinc/01/66/64/175016664.db2.gz MKNJAVPDWZKCHO-SNVBAGLBSA-N 1 0 207.273 2.168 1 0 BEAFRO COc1cc2c(cc1OC)CC([NH2+]C(C)C)C2 ZINC000029226898 175024710 /nfs/dbraw/zinc/02/47/10/175024710.db2.gz XRRBRILUCDCMQJ-UHFFFAOYSA-N 1 0 235.327 2.169 1 0 BEAFRO COc1ccc(OC)c2c1[C@H]1CC[C@@H]2[C@H]([NH3+])C1 ZINC000029222507 175171183 /nfs/dbraw/zinc/17/11/83/175171183.db2.gz LQLBCOIFBNVLGR-IVZWLZJFSA-N 1 0 233.311 2.396 1 0 BEAFRO COc1cccc(OC[C@@H]2CCC[N@@H+]2C)c1 ZINC000026383296 175284127 /nfs/dbraw/zinc/28/41/27/175284127.db2.gz UXWRSTLOGBZMGL-NSHDSACASA-N 1 0 221.300 2.168 1 0 BEAFRO C[C@@H](Oc1cncc2ccccc21)C1=[NH+]CCN1 ZINC000027707134 176006363 /nfs/dbraw/zinc/00/63/63/176006363.db2.gz RBTPSERLJCUSOO-SNVBAGLBSA-N 1 0 241.294 2.004 1 0 BEAFRO C[C@H]1C[C@]23CC[N@H+](C)[C@H](Cc4ccccc42)[C@H]3O1 ZINC000169316851 177388415 /nfs/dbraw/zinc/38/84/15/177388415.db2.gz MIJBTVFOPKXEOY-AEAUEXCSSA-N 1 0 243.350 2.362 1 0 BEAFRO CC[NH+](CC)CCNC(=O)c1ccc(N=O)cc1 ZINC000005847328 560203556 /nfs/dbraw/zinc/20/35/56/560203556.db2.gz HVBDBNBRWGIRLT-UHFFFAOYSA-N 1 0 249.314 2.156 1 0 in-vitro BEAFRO Cc1ccc([C@H](C2COCOC2)[NH+](C)C)cc1 ZINC000039215599 178901774 /nfs/dbraw/zinc/90/17/74/178901774.db2.gz MQWZALZISCDWGJ-CQSZACIVSA-N 1 0 235.327 2.218 1 0 BEAFRO Cc1ccc2c3c1CCC[C@@H]3CN(C(N)=[NH2+])C2 ZINC000027764492 178967265 /nfs/dbraw/zinc/96/72/65/178967265.db2.gz UNZCVYBNFIKQQP-SNVBAGLBSA-N 1 0 229.327 2.124 1 0 BEAFRO Cc1cccc(OC[C@H](O)[C@H](C)[NH2+]C(C)C)c1 ZINC000028767513 179172277 /nfs/dbraw/zinc/17/22/77/179172277.db2.gz OZEUAEOWIJXINK-JSGCOSHPSA-N 1 0 237.343 2.121 1 0 BEAFRO Cn1cc(CC[NH3+])c2c1ccc1c2CCCO1 ZINC000005161581 180639201 /nfs/dbraw/zinc/63/92/01/180639201.db2.gz CCGPJPFGXFZHAJ-UHFFFAOYSA-N 1 0 230.311 2.005 1 0 BEAFRO Fc1ncc([C@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1Cl ZINC000027524319 188110006 /nfs/dbraw/zinc/11/00/06/188110006.db2.gz NRFLJMLBYYSXSW-MRTMQBJTSA-N 1 0 226.682 2.482 1 0 BEAFRO Fc1ccccc1Nc1ncc2c(n1)CC[NH2+]C2 ZINC000021368522 181014597 /nfs/dbraw/zinc/01/45/97/181014597.db2.gz UIDPVEDCXQYFDS-UHFFFAOYSA-N 1 0 244.273 2.005 1 0 BEAFRO OCC[C@]1(c2cc3ccccc3o2)CCC[NH2+]C1 ZINC000095581674 183099984 /nfs/dbraw/zinc/09/99/84/183099984.db2.gz QLSUBNPMUSWHLS-OAHLLOKOSA-N 1 0 245.322 2.436 1 0 BEAFRO Oc1cccc(C2=C[NH+]3CCC2CC3)c1 ZINC000029250555 183288403 /nfs/dbraw/zinc/28/84/03/183288403.db2.gz DTBOXUILMGGSEB-UHFFFAOYSA-N 1 0 201.269 2.459 1 0 BEAFRO CCC[N@@H+]1CCO[C@@H]2c3cccc(O)c3CC[C@@H]21 ZINC000026270709 169204164 /nfs/dbraw/zinc/20/41/64/169204164.db2.gz NEZSLNYDFZRLJR-DZGCQCFKSA-N 1 0 247.338 2.490 1 0 BEAFRO CCC[N@@H+]1CCc2cc(OC)c(O)cc2C1 ZINC000040379954 169209300 /nfs/dbraw/zinc/20/93/00/169209300.db2.gz QQSBDXLKDRAOSX-UHFFFAOYSA-N 1 0 221.300 2.169 1 0 BEAFRO CCC[NH2+][C@@H]1CCc2c(C(N)=O)cccc2[C@@H]1C ZINC000027746249 169283303 /nfs/dbraw/zinc/28/33/03/169283303.db2.gz XVXOZBBKIJFJRK-IINYFYTJSA-N 1 0 246.354 2.203 1 0 BEAFRO CC(C)Oc1ccc2c(c1)CC[C@@]1(C[NH+]=CN1)C2 ZINC000013743734 167302637 /nfs/dbraw/zinc/30/26/37/167302637.db2.gz XXCYHDQGTVULPM-HNNXBMFYSA-N 1 0 244.338 2.333 1 0 BEAFRO CC[NH+](CC)C[C@H]1CN1Cc1ccc(OC)cc1 ZINC000066075012 169790143 /nfs/dbraw/zinc/79/01/43/169790143.db2.gz FZHKRMXSIWEPCK-MBIQTGHCSA-N 1 0 248.370 2.221 1 0 BEAFRO CC[N@@H+]1CCO[C@@H]2c3ccc(OC)cc3CC[C@H]21 ZINC000029391074 170004568 /nfs/dbraw/zinc/00/45/68/170004568.db2.gz PUTLVTHMLVOISS-HUUCEWRRSA-N 1 0 247.338 2.403 1 0 BEAFRO CC[NH2+][C@H](O)c1cc2c3ccccc3nc-2c[nH]1 ZINC000100667255 170163060 /nfs/dbraw/zinc/16/30/60/170163060.db2.gz VCLQSUMYNJSKQF-CQSZACIVSA-N 1 0 241.294 2.268 1 0 BEAFRO CC[C@H](C)CCN1C(N(C)C)=[NH+]C[C@@H]1C ZINC000036386705 171269285 /nfs/dbraw/zinc/26/92/85/171269285.db2.gz UOAPIZLRECMFGN-QWRGUYRKSA-N 1 0 211.353 2.044 3 0 BEAFRO C[N@@H+]1CC[C@H]2CN3CCc4cccc(c43)[C@@H]2C1 ZINC000008586079 173163809 /nfs/dbraw/zinc/16/38/09/173163809.db2.gz YASBOGFWAMXINH-GXTWGEPZSA-N 1 0 228.339 2.098 1 0 in-vitro BEAFRO C[NH2+]CCOc1nc2ccsc2n2cccc12 ZINC000040395544 173357828 /nfs/dbraw/zinc/35/78/28/173357828.db2.gz IVEVEPJTEWCYEP-UHFFFAOYSA-N 1 0 247.323 2.147 1 0 BEAFRO COc1ccc(C)c2c1CC[C@H](C[NH+](C)C)C2=O ZINC000169319311 175070410 /nfs/dbraw/zinc/07/04/10/175070410.db2.gz AVSMSSVODLZOQW-LLVKDONJSA-N 1 0 247.338 2.310 1 0 BEAFRO COc1ccc(C2=C[C@H]3C[NH2+]C[C@@H](C2)C3)cn1 ZINC000095572144 175084951 /nfs/dbraw/zinc/08/49/51/175084951.db2.gz PMMKTOLCURGBKI-WDEREUQCSA-N 1 0 230.311 2.103 1 0 BEAFRO COc1ccc2[nH]c3c[n+](C)ccc3c2c1 ZINC000014684213 175201804 /nfs/dbraw/zinc/20/18/04/175201804.db2.gz UXIBWQLCPYHBSH-UHFFFAOYSA-O 1 0 213.260 2.154 1 0 in-vivo BEAFRO COc1ccc2c(c1)NC[C@H]2CC[NH+](C)C ZINC000027518987 175213008 /nfs/dbraw/zinc/21/30/08/175213008.db2.gz LXNRROOOBKJXCF-SNVBAGLBSA-N 1 0 220.316 2.156 1 0 BEAFRO COc1ccc2c3cc[n+](C)c(C)c3n(C)c2c1 ZINC000027523869 175223993 /nfs/dbraw/zinc/22/39/93/175223993.db2.gz SEWCOMFVOAMVCN-UHFFFAOYSA-N 1 0 241.314 2.473 1 0 BEAFRO COc1cccc2c1-c1c(ccn1C[C@H](C)[NH3+])C2 ZINC000013764851 175300180 /nfs/dbraw/zinc/30/01/80/175300180.db2.gz MHWCFEIPGFGEPP-JTQLQIEISA-N 1 0 242.322 2.415 1 0 BEAFRO COc1cccc2c1Cc1ccn(C[C@@H](C)[NH3+])c1-2 ZINC000013764837 175303397 /nfs/dbraw/zinc/30/33/97/175303397.db2.gz BFHNETWGFNWKLA-SNVBAGLBSA-N 1 0 242.322 2.415 1 0 BEAFRO COc1cncc(C2=C[C@@H]3C[C@H](C2)C[N@H+](C)C3)c1 ZINC000169295099 175383814 /nfs/dbraw/zinc/38/38/14/175383814.db2.gz PMQMQOADOYNRNP-NWDGAFQWSA-N 1 0 244.338 2.445 1 0 BEAFRO O=C(OC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000006095809 560205259 /nfs/dbraw/zinc/20/52/59/560205259.db2.gz AZHSHGVBEAPALY-FUNVUKJBSA-N 1 0 231.295 2.126 1 0 in-vitro BEAFRO Cc1cc2c(c3cc[n+](C)cc3n2C)c(C)c1O ZINC000040391628 178283367 /nfs/dbraw/zinc/28/33/67/178283367.db2.gz GBDSNJKKDHMJQV-UHFFFAOYSA-O 1 0 241.314 2.478 1 0 BEAFRO CC[C@]1(C)N(O)C(C)=C(c2ccccc2)[N+]1=O ZINC000019331182 342945753 /nfs/dbraw/zinc/94/57/53/342945753.db2.gz RFRPZHVXVBVCNC-CYBMUJFWSA-N 1 0 232.283 2.097 1 0 BEAFRO NC(=[NH2+])c1nc(C2CCCC2)n2ccccc12 ZINC000213759300 343792682 /nfs/dbraw/zinc/79/26/82/343792682.db2.gz STKSCAUHFLMWMT-UHFFFAOYSA-N 1 0 228.299 2.276 2 0 BEAFRO Cc1cccc(OC[C@@H](O)[C@H](C)[NH2+]C(C)C)c1 ZINC000028767517 179170355 /nfs/dbraw/zinc/17/03/55/179170355.db2.gz OZEUAEOWIJXINK-GXTWGEPZSA-N 1 0 237.343 2.121 1 0 BEAFRO CN1CC[NH+]=C1Cc1cnc2ccccc2c1 ZINC000013487908 187415226 /nfs/dbraw/zinc/41/52/26/187415226.db2.gz FGKPHSPPJRNKJP-UHFFFAOYSA-N 1 0 225.295 2.121 1 0 BEAFRO Cc1nc2cc3c(cc2n1C)[C@@H]1C[C@H]3C[NH2+]C1 ZINC000028528803 180087035 /nfs/dbraw/zinc/08/70/35/180087035.db2.gz SOBKRFVVZYOGEO-VHSXEESVSA-N 1 0 227.311 2.056 1 0 BEAFRO Clc1cc2c(cn1)[C@]1(CC2)C[C@H]2CC[C@@H]1[NH2+]2 ZINC000028009427 180576210 /nfs/dbraw/zinc/57/62/10/180576210.db2.gz KGAXYAAOVSKAEE-CDMKHQONSA-N 1 0 234.730 2.443 1 0 BEAFRO Clc1cccc(N2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000038157685 180591234 /nfs/dbraw/zinc/59/12/34/180591234.db2.gz MEHULQRIVRWVSD-JOYOIKCWSA-N 1 0 222.719 2.138 1 0 BEAFRO CC(=O)O[C@H]1C[C@@H]2C[C@H]1[N@H+](Cc1ccccc1)C2 ZINC000013456306 188106154 /nfs/dbraw/zinc/10/61/54/188106154.db2.gz XFDLNDUXOKYOCU-ZNMIVQPWSA-N 1 0 245.322 2.213 1 0 BEAFRO On1ncc(C2CC[NH2+]CC2)c1-c1ccccc1 ZINC000049089377 188124326 /nfs/dbraw/zinc/12/43/26/188124326.db2.gz VDMSNGMYNVTHDD-UHFFFAOYSA-N 1 0 243.310 2.254 1 0 BEAFRO NC1=[NH+]CC[C@@]1(c1ccccc1)c1ccccn1 ZINC000001622320 181339441 /nfs/dbraw/zinc/33/94/41/181339441.db2.gz BUXCXIMTSPEAGF-OAHLLOKOSA-N 1 0 237.306 2.129 1 0 BEAFRO [NH3+]CC(=O)Nc1ccc2c(c1)-c1ccccc1C2 ZINC000026501787 181355863 /nfs/dbraw/zinc/35/58/63/181355863.db2.gz SANFFOSUAHKRCP-UHFFFAOYSA-N 1 0 238.290 2.155 1 0 BEAFRO [NH3+]C[C@@H](O)c1ccc(C2CCCCC2)c(O)c1 ZINC000027858791 181423383 /nfs/dbraw/zinc/42/33/83/181423383.db2.gz AALARYVUUQUVOP-CQSZACIVSA-N 1 0 235.327 2.432 1 0 BEAFRO c1c[nH]c(-c2ccccc2OCC2=[NH+]CCN2)c1 ZINC000013437829 183323154 /nfs/dbraw/zinc/32/31/54/183323154.db2.gz QLXHLSBDLHEIEV-UHFFFAOYSA-N 1 0 241.294 2.062 1 0 BEAFRO c1ccc(-c2cncc(O[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000026009646 183380598 /nfs/dbraw/zinc/38/05/98/183380598.db2.gz SGCDVZSPNVYMKM-CQSZACIVSA-N 1 0 240.306 2.489 1 0 BEAFRO c1ccc(-c2cncc(OC[C@@H]3CC[NH2+]3)c2)cc1 ZINC000026668099 183381088 /nfs/dbraw/zinc/38/10/88/183381088.db2.gz HGYQMXVUXJSHPG-AWEZNQCLSA-N 1 0 240.306 2.489 1 0 BEAFRO CCC[NH2+][C@@H]1CCc2cccc(OC)c2[C@@H]1CO ZINC000027742022 169282748 /nfs/dbraw/zinc/28/27/48/169282748.db2.gz JHZWCHHCPPHTLZ-CHWSQXEVSA-N 1 0 249.354 2.086 1 0 BEAFRO CCN(C(=O)C[C@@H](C)[NH3+])c1c(C)cccc1C ZINC000169315834 169637473 /nfs/dbraw/zinc/63/74/73/169637473.db2.gz CYKNEVDTDHBLNZ-GFCCVEGCSA-N 1 0 234.343 2.394 1 0 BEAFRO C(=C/N1CCC[NH2+]CC1)\Cc1ccccc1 ZINC000100785999 166225190 /nfs/dbraw/zinc/22/51/90/166225190.db2.gz ALJLMPFHDQCDHS-NYYWCZLTSA-N 1 0 216.328 2.038 1 0 BEAFRO CC(C)[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@@H]1C ZINC000006495331 167034716 /nfs/dbraw/zinc/03/47/16/167034716.db2.gz GHPVDUQEBJCILW-JTQLQIEISA-N 1 0 245.326 2.354 1 0 BEAFRO CC[NH+](CC)[C@H]1CCc2c(O)cc(O)cc2C1 ZINC000029326377 169801926 /nfs/dbraw/zinc/80/19/26/169801926.db2.gz KQIFUKFERNXZKC-NSHDSACASA-N 1 0 235.327 2.297 1 0 BEAFRO CC[C@H](C)[C@H]([NH3+])C(=O)N1Cc2ccc(C)cc2C1 ZINC000040892239 171394501 /nfs/dbraw/zinc/39/45/01/171394501.db2.gz RMXOOIQDPYAURR-FZMZJTMJSA-N 1 0 246.354 2.211 1 0 BEAFRO CN(C)C(=O)Oc1cccc2c1CC[C@@H]2[NH+](C)C ZINC000013492311 172382241 /nfs/dbraw/zinc/38/22/41/172382241.db2.gz SPYQRYLMKRNKFD-LBPRGKRZSA-N 1 0 248.326 2.296 1 0 BEAFRO CN(C)C(=O)Oc1ccc2c(c1)[C@@H]([NH3+])CCC2 ZINC000013492233 172382474 /nfs/dbraw/zinc/38/24/74/172382474.db2.gz KNFAZGBZIYULFY-LBPRGKRZSA-N 1 0 234.299 2.083 1 0 BEAFRO CN(C)C(=O)Oc1ccc2c(c1)[C@H]([NH+](C)C)CC2 ZINC000013492308 172382688 /nfs/dbraw/zinc/38/26/88/172382688.db2.gz ZMBDILYCKABPBU-CYBMUJFWSA-N 1 0 248.326 2.296 1 0 BEAFRO C[NH+](C)CCCOc1cc(-c2ccccc2)[nH]n1 ZINC000013861426 172445650 /nfs/dbraw/zinc/44/56/50/172445650.db2.gz ZRAIUCFYPHIDBF-UHFFFAOYSA-N 1 0 245.326 2.407 1 0 BEAFRO C[N@@H+]1CC[C@]2(c3cccc(O)c3)CC(=O)C[C@H]1C2 ZINC000013738629 173167606 /nfs/dbraw/zinc/16/76/06/173167606.db2.gz CHWUTFJMLXHAEH-SWLSCSKDSA-N 1 0 245.322 2.087 1 0 BEAFRO C[N@@H+]1CC[C@]23C[C@H]1CC[C@H]2Oc1c3cccc1O ZINC000072176315 173167807 /nfs/dbraw/zinc/16/78/07/173167807.db2.gz CFTBJOBXKMLPAY-WDBKCZKBSA-N 1 0 245.322 2.279 1 0 BEAFRO C[N@H+]1CCc2cc3ccccc3n2CC1 ZINC000013535371 173172704 /nfs/dbraw/zinc/17/27/04/173172704.db2.gz XDQDEBKSCSUIEP-UHFFFAOYSA-N 1 0 200.285 2.129 1 0 BEAFRO COc1cccc2c1Cc1ccn(C[C@H](C)[NH3+])c1-2 ZINC000013764840 175303078 /nfs/dbraw/zinc/30/30/78/175303078.db2.gz BFHNETWGFNWKLA-JTQLQIEISA-N 1 0 242.322 2.415 1 0 BEAFRO COc1cccc2c1OC[C@@H]1[C@@H]2CCC[N@@H+]1C ZINC000027756533 175304722 /nfs/dbraw/zinc/30/47/22/175304722.db2.gz GFCDMVGEDLAHIF-ZYHUDNBSSA-N 1 0 233.311 2.265 1 0 BEAFRO C[C@@H](CCNC(=O)Nc1ccccc1)[NH+](C)C ZINC000040845052 175674466 /nfs/dbraw/zinc/67/44/66/175674466.db2.gz SRMMBOZDCHOACE-NSHDSACASA-N 1 0 235.331 2.148 1 0 BEAFRO C[C@@H](Oc1ccccc1)[C@@H](O)C[NH2+]C(C)(C)C ZINC000028227101 176006007 /nfs/dbraw/zinc/00/60/07/176006007.db2.gz YHEKOJLUDINMTM-YPMHNXCESA-N 1 0 237.343 2.203 1 0 BEAFRO C[C@H](Oc1ccccc1)[C@H](O)C[NH2+]C(C)(C)C ZINC000028227111 177024411 /nfs/dbraw/zinc/02/44/11/177024411.db2.gz YHEKOJLUDINMTM-WCQYABFASA-N 1 0 237.343 2.203 1 0 BEAFRO C[C@H]1C[C@@]2(c3ccccc3)C(=O)CCC[C@H]2[NH2+]1 ZINC000005809467 177352494 /nfs/dbraw/zinc/35/24/94/177352494.db2.gz NKSXGTCOEJQFSR-LNSITVRQSA-N 1 0 229.323 2.428 1 0 BEAFRO Cc1cc(Cl)cc(C)c1NC(=O)[C@H](C)[NH3+] ZINC000028636077 178063033 /nfs/dbraw/zinc/06/30/33/178063033.db2.gz HCWYOGLYLXIJOJ-QMMMGPOBSA-N 1 0 226.707 2.243 1 0 BEAFRO Cc1cc(OC[C@H](C)[NH+](C)C)cnc1Cl ZINC000013819639 178212335 /nfs/dbraw/zinc/21/23/35/178212335.db2.gz OANRRFPCPUJRJC-VIFPVBQESA-N 1 0 228.723 2.372 1 0 BEAFRO Cc1cc([C@@H]2CC[C@H]3CC[C@@H]2[N@@H+]3C)on1 ZINC000036079910 178241452 /nfs/dbraw/zinc/24/14/52/178241452.db2.gz WELWZFRBQHTDAB-AXFHLTTASA-N 1 0 206.289 2.323 1 0 BEAFRO Cc1cccc(OC[C@@H](O)[C@@H](C)[NH2+]C(C)C)c1 ZINC000028767518 179170761 /nfs/dbraw/zinc/17/07/61/179170761.db2.gz OZEUAEOWIJXINK-TZMCWYRMSA-N 1 0 237.343 2.121 1 0 BEAFRO Cc1cccc2c1C(=[NH2+])N[C@@H](C1CCC1)N2 ZINC000029055783 179213722 /nfs/dbraw/zinc/21/37/22/179213722.db2.gz IIVDXXYINPJHPU-ZDUSSCGKSA-N 1 0 215.300 2.252 1 0 BEAFRO Cc1nc2cc3c(cc2o1)[C@@H]1C[C@H]3C[NH2+]C1 ZINC000028526484 180087220 /nfs/dbraw/zinc/08/72/20/180087220.db2.gz CCBADWLDEJFAMG-DTWKUNHWSA-N 1 0 214.268 2.310 1 0 BEAFRO Cc1cccc([C@H](C2COCOC2)[NH+](C)C)c1 ZINC000169322978 187475220 /nfs/dbraw/zinc/47/52/20/187475220.db2.gz DVOVTKRAMFAVDK-CQSZACIVSA-N 1 0 235.327 2.218 1 0 BEAFRO C[N@@H+]1CCC=C(c2nc(C3CCC3)no2)C1 ZINC000013820167 188106044 /nfs/dbraw/zinc/10/60/44/188106044.db2.gz HTDIFLGHYUHKNP-UHFFFAOYSA-N 1 0 219.288 2.056 1 0 BEAFRO O=c1oc2ccc(O)cc2cc1C[NH+]1CCCC1 ZINC000103269038 188150668 /nfs/dbraw/zinc/15/06/68/188150668.db2.gz AXDCCEURLMEBTA-UHFFFAOYSA-N 1 0 245.278 2.094 1 0 BEAFRO CC(=[NH2+])Nc1ccc(Cn2cccn2)cc1 ZINC000026732218 188464692 /nfs/dbraw/zinc/46/46/92/188464692.db2.gz ROEKGHZSWVUQCO-UHFFFAOYSA-N 1 0 214.272 2.340 1 0 BEAFRO Clc1ccc(C2=C[C@@H]3C[NH2+]C[C@H](C2)C3)nn1 ZINC000095576378 188499359 /nfs/dbraw/zinc/49/93/59/188499359.db2.gz BEXHXBAKDDOWBF-BDAKNGLRSA-N 1 0 235.718 2.143 1 0 BEAFRO [NH2+]=C1N[C@@H](CC2=Cc3ccccc3CC2)CO1 ZINC000013862074 181339485 /nfs/dbraw/zinc/33/94/85/181339485.db2.gz BNCBCRBRCBDEDS-ZDUSSCGKSA-N 1 0 228.295 2.120 1 0 BEAFRO [NH3+]CCCn1c(Cl)nc2ccccc21 ZINC000001653915 181389693 /nfs/dbraw/zinc/38/96/93/181389693.db2.gz HFUQIUKDAZKAFL-UHFFFAOYSA-N 1 0 209.680 2.039 1 0 BEAFRO OC[C@H](c1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000064437730 183145804 /nfs/dbraw/zinc/14/58/04/183145804.db2.gz AXNMDZNGNYLXHQ-CHWSQXEVSA-N 1 0 223.291 2.044 1 0 in-vivo BEAFRO CCC[N@@H+]1CCn2c(=O)[nH]c3cccc(c32)[C@@H]1C ZINC000006380250 169209659 /nfs/dbraw/zinc/20/96/59/169209659.db2.gz GDLLMLVTCNRHLJ-JTQLQIEISA-N 1 0 245.326 2.116 1 0 BEAFRO c1cc2c3c(c1)C[C@H]1[NH2+]CC[C@@]34[C@H](CCC[C@@H]14)O2 ZINC000113133485 183373006 /nfs/dbraw/zinc/37/30/06/183373006.db2.gz QONGLMDHKNFCDX-CQJJVWNLSA-N 1 0 241.334 2.404 1 0 BEAFRO CCCOc1nccnc1[C@@H]1C[NH+]2CCC1CC2 ZINC000013743098 169328735 /nfs/dbraw/zinc/32/87/35/169328735.db2.gz OMUAJMMRMCPDBL-GFCCVEGCSA-N 1 0 247.342 2.075 1 0 BEAFRO CCN(C)C(=O)Oc1ccc2c(c1)[C@H]([NH3+])CCC2 ZINC000013492234 169686282 /nfs/dbraw/zinc/68/62/82/169686282.db2.gz SWNAPNLHVDTIHF-CYBMUJFWSA-N 1 0 248.326 2.473 1 0 BEAFRO CC(C)(C)CN1C(=[NH2+])NC[C@@H]1c1ccccc1 ZINC000012727000 166578966 /nfs/dbraw/zinc/57/89/66/166578966.db2.gz JKXZJGVTWINKSJ-GFCCVEGCSA-N 1 0 231.343 2.404 3 0 BEAFRO CC1(C)[C@H]2C[C@@H]1C(C[NH+]1CCOCC1)=CC2 ZINC000023281607 168002581 /nfs/dbraw/zinc/00/25/81/168002581.db2.gz PXWCYHMXKVZYPD-CHWSQXEVSA-N 1 0 221.344 2.311 1 0 BEAFRO CC1(C)[C@H]2C[C@@H]1C(C[NH+]1CCC(O)CC1)=CC2 ZINC000000277703 168003111 /nfs/dbraw/zinc/00/31/11/168003111.db2.gz NNERQESYPIHJCJ-TZMCWYRMSA-N 1 0 235.371 2.436 1 0 BEAFRO CCC(C)(C)[C@@H]1CCc2[nH+]c(N)nc(N)c2C1 ZINC000045187611 168303706 /nfs/dbraw/zinc/30/37/06/168303706.db2.gz HYTLJJPISCCVOL-MRVPVSSYSA-N 1 0 234.347 2.182 1 0 BEAFRO CC[C@H](C)[C@@H]1[NH2+]CCN(Cc2ccccc2)C1=O ZINC000027299985 171382304 /nfs/dbraw/zinc/38/23/04/171382304.db2.gz NRDXUEAXWOLXLJ-JSGCOSHPSA-N 1 0 246.354 2.033 1 0 BEAFRO C[N@@H+]1CC[C@]2(C1)CCCc1c(O)cccc12 ZINC000027737764 173140198 /nfs/dbraw/zinc/14/01/98/173140198.db2.gz KBNGKEIWECJHLZ-AWEZNQCLSA-N 1 0 217.312 2.302 1 0 BEAFRO C[N@@H+]1CC[C@@]2(C1)CCCc1c(O)cccc12 ZINC000027737771 173166000 /nfs/dbraw/zinc/16/60/00/173166000.db2.gz KBNGKEIWECJHLZ-CQSZACIVSA-N 1 0 217.312 2.302 1 0 BEAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]2c1ccc(F)nc1 ZINC000013519393 173206536 /nfs/dbraw/zinc/20/65/36/173206536.db2.gz SJSLUZRHHRXBGF-HBNTYKKESA-N 1 0 206.264 2.171 1 0 BEAFRO COC(=O)[C@H](c1ccc(C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000028227805 173808288 /nfs/dbraw/zinc/80/82/88/173808288.db2.gz WJZNCJIOIACDBR-UONOGXRCSA-N 1 0 247.338 2.394 1 0 BEAFRO COc1ccc(C2=C[C@H]3C[C@@H](C2)C[N@H+](C)C3)cn1 ZINC000095576256 175085304 /nfs/dbraw/zinc/08/53/04/175085304.db2.gz XZMYNLLVUGBWFQ-NEPJUHHUSA-N 1 0 244.338 2.445 1 0 BEAFRO COc1ccc2c(c1)-c1c(ccn1C[C@H](C)[NH3+])C2 ZINC000000020046 175205765 /nfs/dbraw/zinc/20/57/65/175205765.db2.gz OTCPUISFVUWAGR-JTQLQIEISA-N 1 0 242.322 2.415 1 0 BEAFRO COc1ccc2c(c1)Cc1ccn(C[C@@H](C)[NH3+])c1-2 ZINC000013764841 175211867 /nfs/dbraw/zinc/21/18/67/175211867.db2.gz XVGMZJHXUIXLJT-SNVBAGLBSA-N 1 0 242.322 2.415 1 0 BEAFRO COc1ccc2c(c1)c1cc[n+](C)cc1n2C ZINC000036287008 175218756 /nfs/dbraw/zinc/21/87/56/175218756.db2.gz DSZQQMUYRCNRKS-UHFFFAOYSA-N 1 0 227.287 2.165 1 0 in-vivo BEAFRO COc1ccc2c(c1)c1cc[n+](C)c(C)c1n2C ZINC000040584354 175219091 /nfs/dbraw/zinc/21/90/91/175219091.db2.gz ZQWOCKNFOGTQHF-UHFFFAOYSA-N 1 0 241.314 2.473 1 0 BEAFRO COc1ccc2cnn(C[C@H](C)[NH3+])c2c1Cl ZINC000029124784 175226757 /nfs/dbraw/zinc/22/67/57/175226757.db2.gz LPGIUUYPHICURE-ZETCQYMHSA-N 1 0 239.706 2.046 1 0 BEAFRO C[C@H](Oc1ccccc1CC1CC1)C1=[NH+]CCN1 ZINC000073294765 177024763 /nfs/dbraw/zinc/02/47/63/177024763.db2.gz SEKAQUSPSDPIAN-NSHDSACASA-N 1 0 244.338 2.408 1 0 BEAFRO CCC[C@@H]1C[NH2+]CCN1c1ccc2n[nH]cc2c1 ZINC000053293353 535441745 /nfs/dbraw/zinc/44/17/45/535441745.db2.gz SKRQWFVNZMYZQL-CYBMUJFWSA-N 1 0 244.342 2.141 1 0 BEAFRO Cc1cc([C@H]2CC[C@H]3CC[C@@H]2[N@@H+]3C)on1 ZINC000036079911 178268588 /nfs/dbraw/zinc/26/85/88/178268588.db2.gz WELWZFRBQHTDAB-DCAQKATOSA-N 1 0 206.289 2.323 1 0 BEAFRO Cc1ccc(C[N+]2=CN3CCCC[C@H]3C2)cc1 ZINC000072121457 178653191 /nfs/dbraw/zinc/65/31/91/178653191.db2.gz BNFMWPCYVHWJOA-HNNXBMFYSA-N 1 0 229.347 2.404 1 0 BEAFRO Cc1cccc(C)c1NC(=S)[C@H](C)[NH3+] ZINC000040585325 179044106 /nfs/dbraw/zinc/04/41/06/179044106.db2.gz LTOOWIRQZMCRBU-VIFPVBQESA-N 1 0 208.330 2.390 1 0 BEAFRO Cc1cccc2c1C(=[NH2+])N[C@H](C1CCC1)N2 ZINC000029055779 179213069 /nfs/dbraw/zinc/21/30/69/179213069.db2.gz IIVDXXYINPJHPU-CYBMUJFWSA-N 1 0 215.300 2.252 1 0 BEAFRO Cc1nn(C[C@H](C)[NH3+])c2c3ccoc3ccc12 ZINC000029124687 180391056 /nfs/dbraw/zinc/39/10/56/180391056.db2.gz GUIZQWHFWLOPRO-QMMMGPOBSA-N 1 0 229.283 2.438 1 0 BEAFRO Clc1ncc(C2=CC[C@@H]3CC[C@H]2[NH2+]3)cn1 ZINC000013519569 180601638 /nfs/dbraw/zinc/60/16/38/180601638.db2.gz CBYHVJJDZBRRIY-PSASIEDQSA-N 1 0 221.691 2.038 1 0 BEAFRO c1cc(C2=CCC[C@H]3CC[C@@H]2[NH2+]3)ccn1 ZINC000026966990 188110440 /nfs/dbraw/zinc/11/04/40/188110440.db2.gz ZKSVYJMUQUGQPL-AAEUAGOBSA-N 1 0 200.285 2.379 1 0 BEAFRO CC(C)=CCC/C(C)=C/C(=O)NCCC[NH3+] ZINC000095583170 188146122 /nfs/dbraw/zinc/14/61/22/188146122.db2.gz NTSYFSQEWWKRRK-ZRDIBKRKSA-N 1 0 224.348 2.144 1 0 BEAFRO c1cncc(C2=C[C@@H]3C[NH2+]C[C@H](C2)C3)c1 ZINC000095572184 188500044 /nfs/dbraw/zinc/50/00/44/188500044.db2.gz RCSZDVCUNQPLHO-MNOVXSKESA-N 1 0 200.285 2.094 1 0 BEAFRO Fc1cncc(C2=C[C@@H]3C[NH2+]C[C@H](C2)C3)c1 ZINC000095576878 181019913 /nfs/dbraw/zinc/01/99/13/181019913.db2.gz ZLLCEWCZDFPICU-ZJUUUORDSA-N 1 0 218.275 2.234 1 0 BEAFRO Nc1[nH]c2c(cc(Cc3ccccc3)cc2N)[nH+]1 ZINC000013649849 181790408 /nfs/dbraw/zinc/79/04/08/181790408.db2.gz SVBBXVFZIQXYEX-UHFFFAOYSA-N 1 0 238.294 2.318 1 0 BEAFRO O[C@@H](C[n+]1ccccc1Cl)c1ccccc1 ZINC000036382697 183183571 /nfs/dbraw/zinc/18/35/71/183183571.db2.gz NPVRSFKESQFGHJ-LBPRGKRZSA-N 1 0 234.706 2.361 1 0 BEAFRO O[C@H]1CCCC[C@@H]1N1C=[NH+][C@H](c2ccccc2)C1 ZINC000028231281 183231109 /nfs/dbraw/zinc/23/11/09/183231109.db2.gz UOSZMHCGVBXKIX-KKUMJFAQSA-N 1 0 244.338 2.375 1 0 BEAFRO Oc1ccc([C@H]2CN3CCCC[C@@H]3CO2)cc1 ZINC000169315904 183279119 /nfs/dbraw/zinc/27/91/19/183279119.db2.gz HCJMDVYKFTULRC-TZMCWYRMSA-N 1 0 233.311 2.318 1 0 BEAFRO CCC[N@@H+](c1ccncc1)n1cccc1C=O ZINC000013746006 169183693 /nfs/dbraw/zinc/18/36/93/169183693.db2.gz AANHENKZGBGKHK-UHFFFAOYSA-N 1 0 229.283 2.375 1 0 BEAFRO c1c2c(cc3c1CC[N@H+]1CCC[C@@H]31)OCO2 ZINC000169309099 183321106 /nfs/dbraw/zinc/32/11/06/183321106.db2.gz JIMJBWVPDMZLDI-NSHDSACASA-N 1 0 217.268 2.108 1 0 BEAFRO CCC[N@@H+]1CCO[C@H](c2cccc(N)c2)C1 ZINC000028957376 169204869 /nfs/dbraw/zinc/20/48/69/169204869.db2.gz UWWNEOYAHOEACI-ZDUSSCGKSA-N 1 0 220.316 2.052 1 0 BEAFRO c1cc(-c2ccccc2OCC2=[NH+]CCN2)co1 ZINC000013437832 183381397 /nfs/dbraw/zinc/38/13/97/183381397.db2.gz JJNCVWTXKJXARP-UHFFFAOYSA-N 1 0 242.278 2.327 1 0 BEAFRO c1ccc(C2=[NH+]CCN2Cc2ccncc2)cc1 ZINC000103196895 183389414 /nfs/dbraw/zinc/38/94/14/183389414.db2.gz NIEDNCSAZWUJGT-UHFFFAOYSA-N 1 0 237.306 2.344 1 0 BEAFRO CCCOc1nccnc1[C@H]1C[NH+]2CCC1CC2 ZINC000013743099 169329108 /nfs/dbraw/zinc/32/91/08/169329108.db2.gz OMUAJMMRMCPDBL-LBPRGKRZSA-N 1 0 247.342 2.075 1 0 BEAFRO Cc1cc(-c2cc[n+](C)cc2)ccc1O ZINC000029135504 177682081 /nfs/dbraw/zinc/68/20/81/177682081.db2.gz SMJQUANITFUAKT-UHFFFAOYSA-O 1 0 200.261 2.192 1 0 BEAFRO c1ccc2c(c1)C[C@H]1CN2CC[N@H+]1CC1CC1 ZINC000027846421 132333944 /nfs/dbraw/zinc/33/39/44/132333944.db2.gz UFMNRQWEGPYUQL-AWEZNQCLSA-N 1 0 228.339 2.143 1 0 BEAFRO CC(C)[C@H]([NH3+])c1cccc(N2CCOCC2)c1 ZINC000040977470 132348838 /nfs/dbraw/zinc/34/88/38/132348838.db2.gz CWUIPIXTQOQATR-AWEZNQCLSA-N 1 0 234.343 2.179 1 0 BEAFRO CC1CCC(CN2CC[NH+]=C2N(C)C)CC1 ZINC000036386686 168153821 /nfs/dbraw/zinc/15/38/21/168153821.db2.gz HTPWZJJVOOMLBC-UHFFFAOYSA-N 1 0 223.364 2.046 3 0 BEAFRO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000003616605 168214301 /nfs/dbraw/zinc/21/43/01/168214301.db2.gz DIYMOVTXBXIUJN-CYBMUJFWSA-N 1 0 232.327 2.134 1 0 BEAFRO CC[NH2+][C@@H]1CCc2ccc(OC)c(OC)c2C1 ZINC000029214430 170154088 /nfs/dbraw/zinc/15/40/88/170154088.db2.gz YCQIFXUHWHYOES-LLVKDONJSA-N 1 0 235.327 2.171 1 0 BEAFRO CN(C)C(=O)Oc1cccc2c1CC[C@H]2[NH+](C)C ZINC000013492310 172381919 /nfs/dbraw/zinc/38/19/19/172381919.db2.gz SPYQRYLMKRNKFD-GFCCVEGCSA-N 1 0 248.326 2.296 1 0 BEAFRO C[N@@H+]1CC[C@@]2(C1)CCCc1ccc(O)cc12 ZINC000027721890 173165790 /nfs/dbraw/zinc/16/57/90/173165790.db2.gz NXZRKBPMTSESCR-CQSZACIVSA-N 1 0 217.312 2.302 1 0 BEAFRO C[NH+]=C1Nc2c(OC(C)C)cccc2[C@H](C)N1 ZINC000029131432 173322162 /nfs/dbraw/zinc/32/21/62/173322162.db2.gz PGMNDAZLZGOWHP-VIFPVBQESA-N 1 0 233.315 2.345 1 0 BEAFRO COc1ccc(C)c2c1CC[C@@H](C[NH+](C)C)C2=O ZINC000169319310 175070455 /nfs/dbraw/zinc/07/04/55/175070455.db2.gz AVSMSSVODLZOQW-NSHDSACASA-N 1 0 247.338 2.310 1 0 BEAFRO COc1ccc(OC)c2c1CC[C@@H]([NH+](C)C)C2 ZINC000005965145 175170294 /nfs/dbraw/zinc/17/02/94/175170294.db2.gz GNSMSAGJMPLOQA-SNVBAGLBSA-N 1 0 235.327 2.123 1 0 BEAFRO COc1ccc(OC)c2c1CC([NH2+]C(C)C)C2 ZINC000027990878 175170849 /nfs/dbraw/zinc/17/08/49/175170849.db2.gz YQJTYUSIPBSCKE-UHFFFAOYSA-N 1 0 235.327 2.169 1 0 BEAFRO COc1ccc2c3c1C[C@H]([NH+](C)C)C[C@@H]3CO2 ZINC000013779776 175223714 /nfs/dbraw/zinc/22/37/14/175223714.db2.gz NRQKPYBPFDFAAT-NXEZZACHSA-N 1 0 233.311 2.048 1 0 BEAFRO C[C@@H]([NH3+])C1=C(c2ccccc2)C(C)(C)OC1=O ZINC000103252070 175802104 /nfs/dbraw/zinc/80/21/04/175802104.db2.gz FTOAQGKCJVRREJ-SECBINFHSA-N 1 0 231.295 2.123 1 0 BEAFRO C[C@@H]1SCC2(CC[NH+](C)CC2)S1 ZINC000027896238 176488104 /nfs/dbraw/zinc/48/81/04/176488104.db2.gz CFUCSCVDSHTGGL-MRVPVSSYSA-N 1 0 203.376 2.277 1 0 BEAFRO Cc1ccccc1[C@@H](C)OC1=NCCN1 ZINC000045254597 179323294 /nfs/dbraw/zinc/32/32/94/179323294.db2.gz NGYGSYPEYBVPQK-SNVBAGLBSA-N 1 0 204.273 2.032 1 0 BEAFRO Cc1ccccc1[C@H](C)OC1=NCCN1 ZINC000045254599 179340517 /nfs/dbraw/zinc/34/05/17/179340517.db2.gz NGYGSYPEYBVPQK-JTQLQIEISA-N 1 0 204.273 2.032 1 0 BEAFRO Clc1cccc2c1C[C@]1(C[NH+]=CN1)CC2 ZINC000000019519 180593110 /nfs/dbraw/zinc/59/31/10/180593110.db2.gz MVQIBSHUWQBNGM-LBPRGKRZSA-N 1 0 220.703 2.199 1 0 BEAFRO CC(=O)OC[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000064510391 187785487 /nfs/dbraw/zinc/78/54/87/187785487.db2.gz CVQUKTCWORJAAJ-HUUCEWRRSA-N 1 0 247.338 2.475 1 0 in-vivo BEAFRO BrC1=CC=C2[NH2+]C=CC3=CC=N[C@H]1[C@@H]32 ZINC000031829649 188110777 /nfs/dbraw/zinc/11/07/77/188110777.db2.gz BRKQTXFMIRVPGN-WDEREUQCSA-N 1 0 249.111 2.275 1 0 BEAFRO c1cncc(C2=C[C@@H]3CCC[C@H](C2)[NH2+]3)c1 ZINC000013912889 188106298 /nfs/dbraw/zinc/10/62/98/188106298.db2.gz VUROYLWVIMGNBJ-QWHCGFSZSA-N 1 0 200.285 2.379 1 0 BEAFRO CC1(C)CC(=CCc2ccccc2)[N+](=O)[C@H]1O ZINC000095608629 188146214 /nfs/dbraw/zinc/14/62/14/188146214.db2.gz MBXPTBYNGYQGCN-XEHSLEBBSA-N 1 0 231.295 2.399 1 0 BEAFRO NC(=[NH2+])Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000029133631 181191395 /nfs/dbraw/zinc/19/13/95/181191395.db2.gz DQULKEACJQUYBJ-UHFFFAOYSA-N 1 0 239.278 2.223 1 0 BEAFRO O=C(CCCC1CC[NH2+]CC1)c1ncco1 ZINC000029126588 181909043 /nfs/dbraw/zinc/90/90/43/181909043.db2.gz PKVYQZQOXHRPTR-UHFFFAOYSA-N 1 0 222.288 2.027 1 0 in-vivo BEAFRO O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CC=CC1 ZINC000023431634 182665793 /nfs/dbraw/zinc/66/57/93/182665793.db2.gz WJJKPXRSONJDHE-JTQLQIEISA-N 1 0 248.351 2.185 1 0 BEAFRO CCCN(C)C(=O)Oc1cccc(CC[NH3+])c1 ZINC000013492324 169057082 /nfs/dbraw/zinc/05/70/82/169057082.db2.gz PKCPZJFXQLSLLL-UHFFFAOYSA-N 1 0 236.315 2.028 1 0 BEAFRO CCC[NH+](CCC)[C@@H]1CCc2n[nH]cc2C1 ZINC000013742645 169150575 /nfs/dbraw/zinc/15/05/75/169150575.db2.gz GLKCCTUKWPNZKT-GFCCVEGCSA-N 1 0 221.348 2.389 1 0 BEAFRO Cc1c2ccccc2nc2[n+]1CCCCC2 ZINC000028455863 183317360 /nfs/dbraw/zinc/31/73/60/183317360.db2.gz CFBDZCKTSONAGK-UHFFFAOYSA-N 1 0 212.296 2.431 1 0 BEAFRO CCCNC(=O)Oc1ccc2c(c1)[C@H]([NH3+])CC2 ZINC000013492210 169241197 /nfs/dbraw/zinc/24/11/97/169241197.db2.gz IRBMYPWDNDKKOG-GFCCVEGCSA-N 1 0 234.299 2.131 1 0 BEAFRO c1ccc(C2=NO[C@]3(C2)C[NH+]2CCC3CC2)cc1 ZINC000073167909 183389511 /nfs/dbraw/zinc/38/95/11/183389511.db2.gz OMWHTBCRWFRNTK-OAHLLOKOSA-N 1 0 242.322 2.275 1 0 BEAFRO c1ccc(C2=[NH+]CCN2Cc2cccnc2)cc1 ZINC000103196893 183389623 /nfs/dbraw/zinc/38/96/23/183389623.db2.gz MLQYMZKNHLDKJK-UHFFFAOYSA-N 1 0 237.306 2.344 1 0 BEAFRO Brc1ccc([C@]23C[C@H]2C[NH2+]C3)s1 ZINC000040829155 166099113 /nfs/dbraw/zinc/09/91/13/166099113.db2.gz LSOGATNRWAQFDS-RCOVLWMOSA-N 1 0 244.157 2.372 1 0 BEAFRO CC1(C)C=C(C[NH+]2CCCC2)C(C)(C)N1O ZINC000101969779 167881972 /nfs/dbraw/zinc/88/19/72/167881972.db2.gz JUHHQLAORXCHKU-UHFFFAOYSA-N 1 0 223.340 2.227 1 0 BEAFRO CC1=C(c2ccccc2)[N+](=O)C2(CCCC2)N1O ZINC000019331173 168139639 /nfs/dbraw/zinc/13/96/39/168139639.db2.gz MAHQFZCTVDFVNK-UHFFFAOYSA-N 1 0 244.294 2.241 1 0 BEAFRO C[N@@H+]1C[C@@H]2Oc3cc(O)ccc3[C@@]23CCC[C@@H]1C3 ZINC000027862852 173189693 /nfs/dbraw/zinc/18/96/93/173189693.db2.gz QDIFHGMUGAIVEJ-ONERCXAPSA-N 1 0 245.322 2.279 1 0 BEAFRO C[N@@H+]1C[C@@H]2Oc3c(cccc3O)[C@@]23CCC[C@@H]1C3 ZINC000031415401 173190529 /nfs/dbraw/zinc/19/05/29/173190529.db2.gz GGOHBAJDRFZJLG-DGFSRKRXSA-N 1 0 245.322 2.279 1 0 BEAFRO COc1cc2c3c(ccnc3c1OC)NCC2 ZINC000038953403 175026865 /nfs/dbraw/zinc/02/68/65/175026865.db2.gz JGWLCFPRHLKVFH-UHFFFAOYSA-N 1 0 230.267 2.220 1 0 BEAFRO COc1ccc2c3c1CC[N@@H+](C)C[C@@H]3CC2 ZINC000027719923 175223832 /nfs/dbraw/zinc/22/38/32/175223832.db2.gz GANDSXBDUFPZDZ-NSHDSACASA-N 1 0 217.312 2.213 1 0 BEAFRO COc1cncc(C2=C[C@@H]3CCC[C@H](C2)[NH2+]3)c1 ZINC000013912887 175384091 /nfs/dbraw/zinc/38/40/91/175384091.db2.gz USVAHAACEDZWOK-QWHCGFSZSA-N 1 0 230.311 2.388 1 0 BEAFRO C[C@@H](Oc1ccccc1CC1CC1)C1=[NH+]CCN1 ZINC000073294767 176005667 /nfs/dbraw/zinc/00/56/67/176005667.db2.gz SEKAQUSPSDPIAN-LLVKDONJSA-N 1 0 244.338 2.408 1 0 BEAFRO C[C@H]1C[NH+]=C(N(C)C)N1CC1CCCCC1 ZINC000036386707 177280952 /nfs/dbraw/zinc/28/09/52/177280952.db2.gz ARYHWRIITUJJPL-NSHDSACASA-N 1 0 223.364 2.188 3 0 BEAFRO CC1=CC(=O)O[C@@H](C[C@H]2CCCC[N@H+]2C)C1 ZINC000085662224 571787060 /nfs/dbraw/zinc/78/70/60/571787060.db2.gz JFFVCKNYHMIHTF-VXGBXAGGSA-N 1 0 223.316 2.123 1 0 endogenous,in-man BEAFRO C[NH2+]C[C@H](O)c1ccc(O)c(CC2CCCC2)c1 ZINC000085510754 290764521 /nfs/dbraw/zinc/76/45/21/290764521.db2.gz BZZZWGKTKPZXHV-HNNXBMFYSA-N 1 0 249.354 2.378 1 0 biogenic,in-vitro BEAFRO Cc1cccc(CCN2C(N(C)C)=[NH+]C[C@@H]2C)c1 ZINC000036386712 179056670 /nfs/dbraw/zinc/05/66/70/179056670.db2.gz XCRACYKSNWKJHL-ZDUSSCGKSA-N 1 0 245.370 2.159 3 0 BEAFRO Cc1nc2cc3c(cc2[nH]1)[C@@H]1C[C@H]3C[NH2+]C1 ZINC000028528384 180087073 /nfs/dbraw/zinc/08/70/73/180087073.db2.gz NNQXNMIUYWOMIR-DTORHVGOSA-N 1 0 213.284 2.045 1 0 BEAFRO Cc1nc2cc3c(cc2o1)[C@H]1C[C@@H]3C[NH2+]C1 ZINC000028526485 180087744 /nfs/dbraw/zinc/08/77/44/180087744.db2.gz CCBADWLDEJFAMG-BDAKNGLRSA-N 1 0 214.268 2.310 1 0 BEAFRO CC1=[NH+]C[C@@]2(CCc3ccccc3C2)N1C ZINC000027326443 188109797 /nfs/dbraw/zinc/10/97/97/188109797.db2.gz UFOLROZNSGSLIZ-AWEZNQCLSA-N 1 0 214.312 2.278 1 0 BEAFRO C[N@@H+]1CCC=C(c2nc(C3CCCC3)no2)C1 ZINC000013820169 188106374 /nfs/dbraw/zinc/10/63/74/188106374.db2.gz COSSWSVAVVTHRA-UHFFFAOYSA-N 1 0 233.315 2.446 1 0 BEAFRO CC[n+]1cccc2c1CC[C@H]1CC[C@@H](O)C[C@H]21 ZINC000026270703 188464354 /nfs/dbraw/zinc/46/43/54/188464354.db2.gz YJWXSCWKVFHACU-BZPMIXESSA-N 1 0 232.347 2.185 1 0 BEAFRO NC(=[NH2+])Nc1csc2ncc(Cl)cc12 ZINC000028713359 181191409 /nfs/dbraw/zinc/19/14/09/181191409.db2.gz DDYHXAOKCRDJDF-UHFFFAOYSA-N 1 0 226.692 2.255 1 0 BEAFRO O=C(NCC1=CC2CC[NH+]1CC2)c1ccccc1 ZINC000084712435 182133987 /nfs/dbraw/zinc/13/39/87/182133987.db2.gz MJOINBHFGPNEIE-UHFFFAOYSA-N 1 0 242.322 2.026 1 0 BEAFRO O[C@@H]1CCCC[C@H]1N1C=[NH+][C@H](c2ccccc2)C1 ZINC000028231285 183190921 /nfs/dbraw/zinc/19/09/21/183190921.db2.gz UOSZMHCGVBXKIX-RRFJBIMHSA-N 1 0 244.338 2.375 1 0 BEAFRO CCC[NH+](CCC)[C@@H]1CCn2ncc(C=O)c2C1 ZINC000013672682 169150913 /nfs/dbraw/zinc/15/09/13/169150913.db2.gz GFJQMJYOLGYPBB-CYBMUJFWSA-N 1 0 249.358 2.132 1 0 BEAFRO CCC[NH+](CCC)[C@H]1CCc2n[nH]cc2C1 ZINC000013742646 169152878 /nfs/dbraw/zinc/15/28/78/169152878.db2.gz GLKCCTUKWPNZKT-LBPRGKRZSA-N 1 0 221.348 2.389 1 0 BEAFRO Oc1cccc(OC[C@@H]2CC3CC[NH+]2CC3)c1 ZINC000034218059 183292970 /nfs/dbraw/zinc/29/29/70/183292970.db2.gz HSTBEKFBYFHTES-LBPRGKRZSA-N 1 0 233.311 2.255 1 0 BEAFRO CCC[N@@H+]1CCO[C@@H]2c3cccc(O)c3CC[C@H]21 ZINC000026270718 169205188 /nfs/dbraw/zinc/20/51/88/169205188.db2.gz NEZSLNYDFZRLJR-UKRRQHHQSA-N 1 0 247.338 2.490 1 0 BEAFRO CCC[N@@H+]1CC=C2c3nc(N)sc3CC[C@H]2C1 ZINC000013824116 169186667 /nfs/dbraw/zinc/18/66/67/169186667.db2.gz HORLZSNHMKBMKI-VIFPVBQESA-N 1 0 249.383 2.397 1 0 BEAFRO CCC[N@@H+]1CC=C2c3nc(N)sc3CC[C@@H]2C1 ZINC000013824118 169187333 /nfs/dbraw/zinc/18/73/33/169187333.db2.gz HORLZSNHMKBMKI-SECBINFHSA-N 1 0 249.383 2.397 1 0 BEAFRO CCC[N@@H+]1CCC[C@H](c2cccc(C(N)=O)c2)C1 ZINC000029244102 169198575 /nfs/dbraw/zinc/19/85/75/169198575.db2.gz CJCQHAUDAPOVBD-AWEZNQCLSA-N 1 0 246.354 2.375 1 0 BEAFRO CCC[N@@H+]1Cc2cccc3c2N(C[C@H]1C)C(=O)C3 ZINC000006380263 169210974 /nfs/dbraw/zinc/21/09/74/169210974.db2.gz SOZQLUSKSKNOHD-LLVKDONJSA-N 1 0 244.338 2.190 1 0 BEAFRO c1ccc(-c2ccc(OC[C@@H]3CC[NH2+]3)cn2)cc1 ZINC000026668433 183379462 /nfs/dbraw/zinc/37/94/62/183379462.db2.gz JYIHDVCEUIUYQH-ZDUSSCGKSA-N 1 0 240.306 2.489 1 0 BEAFRO CCC[NH2+][C@@H]1Cc2cc3nc(N)sc3cc2C1 ZINC000013813253 169284259 /nfs/dbraw/zinc/28/42/59/169284259.db2.gz BRWKJOUZUNEUTN-SNVBAGLBSA-N 1 0 247.367 2.345 1 0 BEAFRO c1ccc2c(c1)C[C@@H]([C@H]1C[NH+]3CCC1CC3)O2 ZINC000013740326 183448884 /nfs/dbraw/zinc/44/88/84/183448884.db2.gz BFKVAWMWDMHLEZ-ZFWWWQNUSA-N 1 0 229.323 2.332 1 0 BEAFRO CCC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C ZINC000037628109 169386080 /nfs/dbraw/zinc/38/60/80/169386080.db2.gz PZVRSDBLMSXDCX-NSHDSACASA-N 1 0 221.300 2.346 1 0 BEAFRO CCN(C)C(=O)Oc1cccc2c1CC[C@H]2[NH3+] ZINC000013492231 169686851 /nfs/dbraw/zinc/68/68/51/169686851.db2.gz VMEAVLRQBIRDKD-LLVKDONJSA-N 1 0 234.299 2.083 1 0 BEAFRO CC(C)[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@H]1C ZINC000006488694 167035282 /nfs/dbraw/zinc/03/52/82/167035282.db2.gz GHPVDUQEBJCILW-SNVBAGLBSA-N 1 0 245.326 2.354 1 0 BEAFRO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCC[C@@H]1CO)=CC2 ZINC000000212385 168010057 /nfs/dbraw/zinc/01/00/57/168010057.db2.gz MTWNYZLGPQWNAM-MJBXVCDLSA-N 1 0 235.371 2.436 1 0 BEAFRO CCC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1CC)[N@H+]2C ZINC000028259875 168253540 /nfs/dbraw/zinc/25/35/40/168253540.db2.gz PJJUIEUCPSGLBV-HNCHTBHHSA-N 1 0 209.333 2.474 1 0 BEAFRO CC[N@@H+]1CCO[C@H]2c3ccc(O)cc3CC[C@H]21 ZINC000029341639 170005997 /nfs/dbraw/zinc/00/59/97/170005997.db2.gz OADROXWBYMSSKW-KGLIPLIRSA-N 1 0 233.311 2.100 1 0 BEAFRO CC[N@@H+]1CCO[C@H]2c3ccc(OC)cc3CC[C@H]21 ZINC000029391072 170006498 /nfs/dbraw/zinc/00/64/98/170006498.db2.gz PUTLVTHMLVOISS-CABCVRRESA-N 1 0 247.338 2.403 1 0 BEAFRO CC[NH2+][C@H]1CCc2ccc(OC)c(OC)c2C1 ZINC000029214435 170168694 /nfs/dbraw/zinc/16/86/94/170168694.db2.gz YCQIFXUHWHYOES-NSHDSACASA-N 1 0 235.327 2.171 1 0 BEAFRO C[N@@H+]1CCC[C@@]2(CC(c3ccccc3)=NO2)C1 ZINC000073156048 173039859 /nfs/dbraw/zinc/03/98/59/173039859.db2.gz ITNGAIOKRIBHTF-CQSZACIVSA-N 1 0 230.311 2.275 1 0 BEAFRO CN1CC[NH2+]C[C@H]1C12CC3CC(CC(C3)C1)C2 ZINC000028817668 173096806 /nfs/dbraw/zinc/09/68/06/173096806.db2.gz LIXAHVSDLVQZOC-IHXHZNKUSA-N 1 0 234.387 2.106 1 0 BEAFRO C[N@@H+]1CC[C@@H]2CN3CCc4cccc(c43)[C@H]2C1 ZINC000007999068 173133797 /nfs/dbraw/zinc/13/37/97/173133797.db2.gz YASBOGFWAMXINH-OCCSQVGLSA-N 1 0 228.339 2.098 1 0 BEAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)c1ccccc1)C2 ZINC000103225871 173207034 /nfs/dbraw/zinc/20/70/34/173207034.db2.gz WXYVEMXFBWGVFO-ZSOGYDGISA-N 1 0 244.338 2.042 1 0 BEAFRO CNc1cc(-c2ccccc2C[NH+](C)C)ncn1 ZINC000004266548 173472175 /nfs/dbraw/zinc/47/21/75/173472175.db2.gz IXFDNKFHTNCUHP-UHFFFAOYSA-N 1 0 242.326 2.247 1 0 BEAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)[NH2+]2 ZINC000013736099 173831791 /nfs/dbraw/zinc/83/17/91/173831791.db2.gz JEZUFWYDKGYUCS-DGAVXFQQSA-N 1 0 245.322 2.084 1 0 BEAFRO COc1ccc(OC)c2c1CC[C@H]([NH+](C)C)C2 ZINC000005965202 175170488 /nfs/dbraw/zinc/17/04/88/175170488.db2.gz GNSMSAGJMPLOQA-JTQLQIEISA-N 1 0 235.327 2.123 1 0 BEAFRO COc1ccc2[nH]c3c(cc[n+](C)c3C)c2c1 ZINC000036287011 175202258 /nfs/dbraw/zinc/20/22/58/175202258.db2.gz GKOBEAWUMYEQIP-UHFFFAOYSA-O 1 0 227.287 2.463 1 0 in-vivo BEAFRO COc1ccc2cc3c(cc2n1)[C@@H]1C[C@H]3C[NH2+]C1 ZINC000028528894 175225564 /nfs/dbraw/zinc/22/55/64/175225564.db2.gz CAONSCPWSFMLMS-WDEREUQCSA-N 1 0 240.306 2.418 1 0 BEAFRO C[C@H]([NH3+])Cc1cn(C)c2ccc3c(c12)CCCO3 ZINC000013527315 176762293 /nfs/dbraw/zinc/76/22/93/176762293.db2.gz HPEOSNKVEAJRAK-JTQLQIEISA-N 1 0 244.338 2.393 1 0 BEAFRO C[C@H]([NH2+]C(C)(C)C)[C@H](O)COc1ccccc1 ZINC000028229053 176824364 /nfs/dbraw/zinc/82/43/64/176824364.db2.gz BWOFUFOPJQMSMN-WCQYABFASA-N 1 0 237.343 2.203 1 0 BEAFRO C[C@H](Oc1cncc2ccccc21)C1=[NH+]CCN1 ZINC000027707139 177024887 /nfs/dbraw/zinc/02/48/87/177024887.db2.gz RBTPSERLJCUSOO-JTQLQIEISA-N 1 0 241.294 2.004 1 0 BEAFRO C[C@H]1C[C@](O)(Cc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000005574364 177386755 /nfs/dbraw/zinc/38/67/55/177386755.db2.gz YSGPBYGQFUGPJJ-YDHLFZDLSA-N 1 0 233.355 2.320 1 0 BEAFRO C[C@]1(CNc2ccc(Cl)nc2)C=CC[NH2+]1 ZINC000028336882 177463689 /nfs/dbraw/zinc/46/36/89/177463689.db2.gz FEFQAWWDVYBMDE-LLVKDONJSA-N 1 0 223.707 2.065 1 0 BEAFRO C1=C2CCC[NH2+][C@H]2[C@H]2C[C@@H]1[C@H]1CCCCN1C2 ZINC000034432491 560087408 /nfs/dbraw/zinc/08/74/08/560087408.db2.gz SKOLRLSBMUGVOY-LXTVHRRPSA-N 1 0 232.371 2.169 1 0 biogenic,in-vitro BEAFRO Cc1cc(C2=CCC[C@@H]3CC[C@H]2[NH2+]3)on1 ZINC000072179506 177950541 /nfs/dbraw/zinc/95/05/41/177950541.db2.gz SQXMPQMUYIPXNQ-MWLCHTKSSA-N 1 0 204.273 2.281 1 0 BEAFRO c1cncc(C2=CCC[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000000009044 188452524 /nfs/dbraw/zinc/45/25/24/188452524.db2.gz BACMDOCEIHERJI-AAEUAGOBSA-N 1 0 200.285 2.379 1 0 BEAFRO NC(=[NH2+])Nc1cc(Cl)nc(-c2ccccc2)n1 ZINC000027633505 181190646 /nfs/dbraw/zinc/19/06/46/181190646.db2.gz DPTWAGJLIDIXLY-UHFFFAOYSA-N 1 0 247.689 2.102 1 0 BEAFRO Nc1nc2ccccc2c2cc(CC[NH3+])oc21 ZINC000096914105 181411642 /nfs/dbraw/zinc/41/16/42/181411642.db2.gz XWAAHTYMJCMWIG-UHFFFAOYSA-N 1 0 227.267 2.064 1 0 BEAFRO CCCN(C)C(=O)Oc1ccc2c(c1)[C@@H]([NH3+])CC2 ZINC000013492201 169056377 /nfs/dbraw/zinc/05/63/77/169056377.db2.gz OGCSBPXIKACNKA-ZDUSSCGKSA-N 1 0 248.326 2.473 1 0 BEAFRO O[C@@H]1CCCC[C@@H]1N1C=[NH+][C@@H](c2ccccc2)C1 ZINC000169367325 183188358 /nfs/dbraw/zinc/18/83/58/183188358.db2.gz UOSZMHCGVBXKIX-QLFBSQMISA-N 1 0 244.338 2.375 1 0 BEAFRO Oc1ccc2c(c1)[C@@H]1CC[N@@H+](CC3CC3)C[C@@H]1O2 ZINC000045337353 183281185 /nfs/dbraw/zinc/28/11/85/183281185.db2.gz YFMAKEYSGUDBMC-WFASDCNBSA-N 1 0 245.322 2.353 1 0 BEAFRO Oc1ccc2c(c1)[C@H]1CC[N@@H+](CC3CC3)C[C@H]1O2 ZINC000195248796 183282558 /nfs/dbraw/zinc/28/25/58/183282558.db2.gz YFMAKEYSGUDBMC-IUODEOHRSA-N 1 0 245.322 2.353 1 0 BEAFRO CCCN1CCO[C@@H](c2ccc(F)c(O)c2)C1 ZINC000028957396 169205950 /nfs/dbraw/zinc/20/59/50/169205950.db2.gz GGNXXNYKGWVORA-CYBMUJFWSA-N 1 0 239.290 2.315 1 0 BEAFRO CCCNC(=[NH2+])Nc1ccc(NCC)cc1 ZINC000169325835 169212707 /nfs/dbraw/zinc/21/27/07/169212707.db2.gz KQMSEKREKBVUSS-UHFFFAOYSA-N 1 0 220.320 2.465 1 0 BEAFRO c1[nH]nc2c1C[C@@H]([NH2+]CCc1ccccc1)CC2 ZINC000026486749 183394789 /nfs/dbraw/zinc/39/47/89/183394789.db2.gz OVLLSQWJAWLJFE-AWEZNQCLSA-N 1 0 241.338 2.099 1 0 BEAFRO c1ccc(CN2CCN=C2c2cccnc2)cc1 ZINC000064728605 183399992 /nfs/dbraw/zinc/39/99/92/183399992.db2.gz QCDNOTFCTZQPCL-UHFFFAOYSA-N 1 0 237.306 2.344 1 0 BEAFRO CCC[NH2+][C@@H]1Cc2c[nH]nc2C[C@H]1CCC ZINC000026474973 169283755 /nfs/dbraw/zinc/28/37/55/169283755.db2.gz BQIVIUYIAFYMIV-ZYHUDNBSSA-N 1 0 221.348 2.293 1 0 BEAFRO CC(C)[C@@H]([NH3+])c1cccc(N2CCOCC2)c1 ZINC000040974119 132348941 /nfs/dbraw/zinc/34/89/41/132348941.db2.gz CWUIPIXTQOQATR-CQSZACIVSA-N 1 0 234.343 2.179 1 0 BEAFRO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCC[C@H](O)C1)=CC2 ZINC000000219802 168009865 /nfs/dbraw/zinc/00/98/65/168009865.db2.gz ITOPKVZOJUNWDP-IHRRRGAJSA-N 1 0 235.371 2.436 1 0 BEAFRO CC[N@@H+]1C[C@H]2C[C@@H]1CN2c1ccc(Cl)nc1 ZINC000028708880 170041050 /nfs/dbraw/zinc/04/10/50/170041050.db2.gz CRVWNRYOWGWTTK-GHMZBOCLSA-N 1 0 237.734 2.018 1 0 BEAFRO CC[NH2+][C@@H]1CCc2c(O)c(C)ccc2C1 ZINC000027859823 170153981 /nfs/dbraw/zinc/15/39/81/170153981.db2.gz ACHLWAQSVKUOOJ-LLVKDONJSA-N 1 0 205.301 2.167 1 0 BEAFRO CC[NH2+][C@H]1CCc2c(O)c(C)ccc2C1 ZINC000027859828 170169052 /nfs/dbraw/zinc/16/90/52/170169052.db2.gz ACHLWAQSVKUOOJ-NSHDSACASA-N 1 0 205.301 2.167 1 0 BEAFRO CC[C@@]1(C)N(O)C(C)=C(c2ccccc2)[N+]1=O ZINC000019331177 171210575 /nfs/dbraw/zinc/21/05/75/171210575.db2.gz RFRPZHVXVBVCNC-ZDUSSCGKSA-N 1 0 232.283 2.097 1 0 BEAFRO CC[C@@]1(c2ccccc2)OCC[C@@H](CC[NH3+])O1 ZINC000071282006 171216250 /nfs/dbraw/zinc/21/62/50/171216250.db2.gz NNHCRVIMTXXWIF-ZIAGYGMSSA-N 1 0 235.327 2.404 1 0 BEAFRO CN(C)C(=O)Oc1ccc2c(c1)[C@H]([NH3+])CCC2 ZINC000013492232 172382889 /nfs/dbraw/zinc/38/28/89/172382889.db2.gz KNFAZGBZIYULFY-GFCCVEGCSA-N 1 0 234.299 2.083 1 0 BEAFRO C[N@@H+]1CCCC[C@H]1CC(=O)c1ccco1 ZINC000013554211 173008723 /nfs/dbraw/zinc/00/87/23/173008723.db2.gz PXJZDYHQTNYCSQ-JTQLQIEISA-N 1 0 207.273 2.337 1 0 BEAFRO C[N@@H+]1CCC[C@]2(CC(c3ccccc3)=NO2)C1 ZINC000073156044 173062239 /nfs/dbraw/zinc/06/22/39/173062239.db2.gz ITNGAIOKRIBHTF-AWEZNQCLSA-N 1 0 230.311 2.275 1 0 BEAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1ccco1)C2 ZINC000103234861 173205986 /nfs/dbraw/zinc/20/59/86/173205986.db2.gz JBTLJHIQAFDIPV-URLYPYJESA-N 1 0 235.283 2.062 1 0 BEAFRO C[NH2+][C@]12C[C@H](O)CC[C@@H]1CCc1ccccc12 ZINC000026149295 173470773 /nfs/dbraw/zinc/47/07/73/173470773.db2.gz IBIVSJYTRPZVOL-GZBFAFLISA-N 1 0 231.339 2.209 1 0 BEAFRO COc1ccc(OC)c2c1[C@@H]1CC[C@H]2[C@H]([NH3+])C1 ZINC000029222512 175171301 /nfs/dbraw/zinc/17/13/01/175171301.db2.gz LQLBCOIFBNVLGR-KXUCPTDWSA-N 1 0 233.311 2.396 1 0 BEAFRO COc1ccc2c(c1)NC[C@@H]2CC[NH+](C)C ZINC000027518986 175212340 /nfs/dbraw/zinc/21/23/40/175212340.db2.gz LXNRROOOBKJXCF-JTQLQIEISA-N 1 0 220.316 2.156 1 0 BEAFRO C[C@H](CCN1CC[NH+]=C1N(C)C)c1ccccc1 ZINC000036386692 176628987 /nfs/dbraw/zinc/62/89/87/176628987.db2.gz XEOYQWYVULQCEA-CYBMUJFWSA-N 1 0 245.370 2.413 3 0 BEAFRO C[C@H]([NH3+])C1=C(c2ccccc2)C(C)(C)OC1=O ZINC000103252069 176754534 /nfs/dbraw/zinc/75/45/34/176754534.db2.gz FTOAQGKCJVRREJ-VIFPVBQESA-N 1 0 231.295 2.123 1 0 BEAFRO C[C@H](Oc1ccccc1)[C@@H](O)C[NH2+]C(C)(C)C ZINC000028227105 177024816 /nfs/dbraw/zinc/02/48/16/177024816.db2.gz YHEKOJLUDINMTM-AAEUAGOBSA-N 1 0 237.343 2.203 1 0 BEAFRO COc1ccc2c(c1)Cc1cc[n+](C)cc1N2 ZINC000085529990 560073555 /nfs/dbraw/zinc/07/35/55/560073555.db2.gz BVDYNHDNTYIPTJ-UHFFFAOYSA-N 1 0 227.287 2.168 1 0 biogenic,in-vitro BEAFRO C[NH2+]C[C@H](O)c1ccc(O)c2c1CCC(C)(C)C2 ZINC000085510735 560073904 /nfs/dbraw/zinc/07/39/04/560073904.db2.gz UELFMHLAWYFLDV-AWEZNQCLSA-N 1 0 249.354 2.160 1 0 biogenic,in-vitro BEAFRO COC(=O)Nc1cccc2ccc(C(N)=[NH2+])cc21 ZINC000042966193 581096627 /nfs/dbraw/zinc/09/66/27/581096627.db2.gz QRWVPIXNCDJOGY-UHFFFAOYSA-N 1 0 243.266 2.302 1 0 in-vitro BEAFRO Cc1ccc2c(c1O)CC[C@H]([NH+](C)C)C2 ZINC000027859811 178967490 /nfs/dbraw/zinc/96/74/90/178967490.db2.gz RVUVRHTUYVYBIH-NSHDSACASA-N 1 0 205.301 2.120 1 0 BEAFRO Cc1ccccc1[C@@H](C1COCOC1)[NH+](C)C ZINC000169322972 179323463 /nfs/dbraw/zinc/32/34/63/179323463.db2.gz SPTSWFGFYULSGK-CQSZACIVSA-N 1 0 235.327 2.218 1 0 BEAFRO CC(=[NH2+])Nc1ccc(-c2cc[nH]n2)cc1 ZINC000026720810 187763717 /nfs/dbraw/zinc/76/37/17/187763717.db2.gz MAGYKZUHZNEAPH-UHFFFAOYSA-N 1 0 200.245 2.486 1 0 BEAFRO COc1ccc(C[C@@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000026398715 187764159 /nfs/dbraw/zinc/76/41/59/187764159.db2.gz AUAIRWXIJLJQPD-RYUDHWBXSA-N 1 0 235.327 2.374 1 0 BEAFRO Cc1cnoc1/C=C1\C[NH+]2CCC1CC2 ZINC000013802455 188106331 /nfs/dbraw/zinc/10/63/31/188106331.db2.gz FFRSJKCBJNDCID-IZZDOVSWSA-N 1 0 204.273 2.092 1 0 BEAFRO NC1=[NH+]CC[C@H]2CC[C@H](CCc3ccccc3)N12 ZINC000103262058 181207419 /nfs/dbraw/zinc/20/74/19/181207419.db2.gz GFWKLXDDCYAFTF-UONOGXRCSA-N 1 0 243.354 2.380 1 0 BEAFRO [NH3+]CCC[C@@H]1CCO[C@H](c2ccccc2)O1 ZINC000071294403 181386098 /nfs/dbraw/zinc/38/60/98/181386098.db2.gz OCEQACROYVKLBC-OLZOCXBDSA-N 1 0 221.300 2.230 1 0 BEAFRO CCC[N@@H+]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1C ZINC000006380252 169210286 /nfs/dbraw/zinc/21/02/86/169210286.db2.gz GDLLMLVTCNRHLJ-SNVBAGLBSA-N 1 0 245.326 2.116 1 0 BEAFRO c1cc2[nH+]ccc3cc4c(c([nH]1)c32)OCO4 ZINC000001654895 183374646 /nfs/dbraw/zinc/37/46/46/183374646.db2.gz HHUIVSJCUPZOSB-UHFFFAOYSA-N 1 0 212.208 2.445 1 0 BEAFRO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCC[C@@H](O)C1)=CC2 ZINC000000219789 168009534 /nfs/dbraw/zinc/00/95/34/168009534.db2.gz ITOPKVZOJUNWDP-MJBXVCDLSA-N 1 0 235.371 2.436 1 0 BEAFRO CCC(=O)N(c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000003616602 168215967 /nfs/dbraw/zinc/21/59/67/168215967.db2.gz DIYMOVTXBXIUJN-ZDUSSCGKSA-N 1 0 232.327 2.134 1 0 BEAFRO CCN1c2ccc(Cl)cc2C[C@H]1C1=[NH+]CCN1 ZINC000028015046 170041407 /nfs/dbraw/zinc/04/14/07/170041407.db2.gz UCXJMUARDWIJSJ-LBPRGKRZSA-N 1 0 249.745 2.093 1 0 BEAFRO CCN1c2cccc(Cl)c2C[C@@H]1C1=[NH+]CCN1 ZINC000028015051 170041437 /nfs/dbraw/zinc/04/14/37/170041437.db2.gz FADQQDNLBYLDIQ-GFCCVEGCSA-N 1 0 249.745 2.093 1 0 BEAFRO CC[NH2+][C@@H]1CCc2ccc(OC(=O)N(C)C)cc21 ZINC000013492216 170154016 /nfs/dbraw/zinc/15/40/16/170154016.db2.gz IHKBTMWREIJCDJ-CYBMUJFWSA-N 1 0 248.326 2.344 1 0 BEAFRO CCOC(=O)[C@@]1(c2ccccc2)C[C@@H]1C[NH+](C)C ZINC000026991024 170263395 /nfs/dbraw/zinc/26/33/95/170263395.db2.gz QKRSXNKJLFBCJR-UKRRQHHQSA-N 1 0 247.338 2.069 1 0 BEAFRO CC[C@@]12CC[N@H+](C)C[C@@H]1Oc1c2cccc1O ZINC000045367290 171218414 /nfs/dbraw/zinc/21/84/14/171218414.db2.gz PXMBJVPQIBOFTL-JSGCOSHPSA-N 1 0 233.311 2.137 1 0 BEAFRO CCc1sc2ncccc2c1NC(N)=[NH2+] ZINC000028713366 172129088 /nfs/dbraw/zinc/12/90/88/172129088.db2.gz JDVZZMLBRDWYDI-UHFFFAOYSA-N 1 0 220.301 2.164 1 0 BEAFRO C[NH+]1CCC(c2cc(C(C)(C)C)nc(N)n2)CC1 ZINC000040430250 173000744 /nfs/dbraw/zinc/00/07/44/173000744.db2.gz ITSHNBQAFUWYQA-UHFFFAOYSA-N 1 0 248.374 2.166 1 0 BEAFRO C[N@@H+]1CCCC[C@@H]1CC(=O)c1ccccn1 ZINC000013554214 173005009 /nfs/dbraw/zinc/00/50/09/173005009.db2.gz LXGBAZQTFHNCQH-LLVKDONJSA-N 1 0 218.300 2.139 1 0 BEAFRO C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000028108474 173059281 /nfs/dbraw/zinc/05/92/81/173059281.db2.gz ARMZCQHPPXIFAD-NSHDSACASA-N 1 0 219.284 2.225 1 0 BEAFRO C[N@@H+]1CC[C@@]23C[C@@H]1CC[C@H]2Oc1ccc(O)cc13 ZINC000040394063 173141030 /nfs/dbraw/zinc/14/10/30/173141030.db2.gz XSUYNLVDLMCOCB-VQISRLSMSA-N 1 0 245.322 2.279 1 0 BEAFRO C[N@@H+]1CC[C@]23C[C@H]1CC[C@H]2Oc1ccc(O)cc13 ZINC000072177320 173166939 /nfs/dbraw/zinc/16/69/39/173166939.db2.gz XSUYNLVDLMCOCB-VCTAVGKDSA-N 1 0 245.322 2.279 1 0 BEAFRO C[N@@H+]1C[C@H]2CC(c3cccnc3)=C[C@H](C2)C1 ZINC000095578687 173188359 /nfs/dbraw/zinc/18/83/59/173188359.db2.gz PWXQAVZNBKKQOF-NWDGAFQWSA-N 1 0 214.312 2.437 1 0 BEAFRO C[N@@H+]1C[C@H]2C[C@@H]1C[C@@H](OC(=O)c1ccccc1)C2 ZINC000013447564 173190846 /nfs/dbraw/zinc/19/08/46/173190846.db2.gz JJGGJOXCHDPVTJ-YUTCNCBUSA-N 1 0 245.322 2.326 1 0 BEAFRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]2OC(=O)c1ccccc1 ZINC000013834351 173205283 /nfs/dbraw/zinc/20/52/83/173205283.db2.gz ARWACDLWRNGONO-MJBXVCDLSA-N 1 0 245.322 2.469 1 0 BEAFRO COc1ccc(C2=C[C@@H]3C[NH2+]C[C@H](C2)C3)cn1 ZINC000095572143 175085660 /nfs/dbraw/zinc/08/56/60/175085660.db2.gz PMMKTOLCURGBKI-MNOVXSKESA-N 1 0 230.311 2.103 1 0 BEAFRO COc1ccc(OC)c2c1CC[C@@H]1[NH2+]CCC[C@H]21 ZINC000029220544 175170475 /nfs/dbraw/zinc/17/04/75/175170475.db2.gz KZNMPLOCPFLSKP-JQWIXIFHSA-N 1 0 247.338 2.486 1 0 BEAFRO COc1ccc(OC)c2c1[C@@H]1CC[C@H]2[C@@H]([NH3+])C1 ZINC000029224775 175171145 /nfs/dbraw/zinc/17/11/45/175171145.db2.gz LQLBCOIFBNVLGR-UTLUCORTSA-N 1 0 233.311 2.396 1 0 BEAFRO COc1ccc([C@H]2CCC[N@@H+]2C)cc1OC ZINC000028021604 175194571 /nfs/dbraw/zinc/19/45/71/175194571.db2.gz LDILHEINTZRACH-LLVKDONJSA-N 1 0 221.300 2.471 1 0 BEAFRO COc1ccc2c(c1)[C@@H]1OCCN(C)[C@@H]1CC2 ZINC000029389462 175215316 /nfs/dbraw/zinc/21/53/16/175215316.db2.gz CFNKYTGVHRAGJS-KGLIPLIRSA-N 1 0 233.311 2.013 1 0 BEAFRO COc1cccc(OC2=CC[N@H+](C)CC2)c1 ZINC000013603029 175282465 /nfs/dbraw/zinc/28/24/65/175282465.db2.gz QFPWYQWVCIKGNC-UHFFFAOYSA-N 1 0 219.284 2.293 1 0 BEAFRO COc1cccc2c1-c1c(ccn1C[C@@H](C)[NH3+])C2 ZINC000013764848 175299660 /nfs/dbraw/zinc/29/96/60/175299660.db2.gz MHWCFEIPGFGEPP-SNVBAGLBSA-N 1 0 242.322 2.415 1 0 BEAFRO COc1cncc(C2=C[C@H]3C[C@@H](C2)C[N@H+](C)C3)c1 ZINC000095579621 175383799 /nfs/dbraw/zinc/38/37/99/175383799.db2.gz PMQMQOADOYNRNP-NEPJUHHUSA-N 1 0 244.338 2.445 1 0 BEAFRO C[C@@H]([NH3+])Cc1cn(C)c2ccc3c(c12)CCCO3 ZINC000000009097 175807151 /nfs/dbraw/zinc/80/71/51/175807151.db2.gz HPEOSNKVEAJRAK-SNVBAGLBSA-N 1 0 244.338 2.393 1 0 BEAFRO C[C@H]1Oc2c(cccc2O)C12CC[NH+](C)CC2 ZINC000029481606 177411051 /nfs/dbraw/zinc/41/10/51/177411051.db2.gz BOUCSCXAHDVKAT-SNVBAGLBSA-N 1 0 233.311 2.137 1 0 BEAFRO