smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC000006004231 980280856 /nfs/dbraw/zinc/28/08/56/980280856.db2.gz IMGPTJPNIMPQCR-CHWSQXEVSA-N 1 0 249.310 1.306 40 0 BDABRO Cc1cc(C)nc([C@@H]2CCCCN2C(=O)C[NH3+])n1 ZINC000072361445 177949051 /nfs/dbraw/zinc/94/90/51/177949051.db2.gz CDWIDQYVSBCBLB-NSHDSACASA-N 1 0 248.330 1.106 40 0 BDABRO O=C([C@H]1CCCCC[NH2+]1)N1CCSCC1 ZINC000080993527 136211198 /nfs/dbraw/zinc/21/11/98/136211198.db2.gz RCKGHPJJUJBJEA-SNVBAGLBSA-N 1 0 228.361 1.094 40 0 BDABRO CC[N@@H+]1CCC[C@H](Cc2ccc(NC)nn2)C1 ZINC000072387237 343979938 /nfs/dbraw/zinc/97/99/38/343979938.db2.gz XGLLTUGSNXOWEJ-LLVKDONJSA-N 1 0 234.347 1.793 40 0 BDABRO COc1cccnc1C1(C[NH3+])CCOCC1 ZINC000075090132 398215792 /nfs/dbraw/zinc/21/57/92/398215792.db2.gz UBMCHDBVPRUYTI-UHFFFAOYSA-N 1 0 222.288 1.097 40 0 BDABRO C(C[C@@H]1CCOC12C[NH2+]C2)OCC1CCCC1 ZINC000247832801 187330347 /nfs/dbraw/zinc/33/03/47/187330347.db2.gz IAPUGPOOPHSTBE-CYBMUJFWSA-N 1 0 239.359 1.962 40 0 BDABRO CC(C)N1CCO[C@@H](c2[nH]nc3ncccc32)C1 ZINC000257305540 187330548 /nfs/dbraw/zinc/33/05/48/187330548.db2.gz SQMINALOBJWDFV-LLVKDONJSA-N 1 0 246.314 1.740 40 0 BDABRO Cc1cc(=O)cc([C@H]2CCC[N@@H+](C)C2)[nH]1 ZINC000072381210 178199330 /nfs/dbraw/zinc/19/93/30/178199330.db2.gz DXCJWFDNSCCFCK-JTQLQIEISA-N 1 0 206.289 1.905 40 0 BDABRO Nc1cccc(Nc2ccc(C[NH3+])cn2)c1 ZINC000070453870 259314223 /nfs/dbraw/zinc/31/42/23/259314223.db2.gz BAGMREUAAUJLJV-UHFFFAOYSA-N 1 0 214.272 1.866 40 0 BDABRO Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000062608747 178392123 /nfs/dbraw/zinc/39/21/23/178392123.db2.gz LWDAIRKTSYNTQV-NSHDSACASA-N 1 0 218.300 1.429 40 0 BDABRO Cc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000062608743 178392148 /nfs/dbraw/zinc/39/21/48/178392148.db2.gz LWDAIRKTSYNTQV-LLVKDONJSA-N 1 0 218.300 1.429 40 0 BDABRO CNC(=O)C[C@H](c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000072208342 259315574 /nfs/dbraw/zinc/31/55/74/259315574.db2.gz HVIYGSUTDMLSMT-UONOGXRCSA-N 1 0 246.354 1.906 40 0 BDABRO COc1cc(C)c(OC)c(C)c1CC1=[NH+]CCN1 ZINC000000001327 342669553 /nfs/dbraw/zinc/66/95/53/342669553.db2.gz IVSWFCVHTWYKEM-UHFFFAOYSA-N 1 0 248.326 1.865 40 0 in-man BDABRO C[n+]1cccc(NC(=O)c2ccccc2)c1 ZINC000001585574 342704626 /nfs/dbraw/zinc/70/46/26/342704626.db2.gz WKVWNUPODYNDOR-UHFFFAOYSA-O 1 0 213.260 1.763 40 0 BDABRO CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000001641605 342706788 /nfs/dbraw/zinc/70/67/88/342706788.db2.gz FORQZCXHHBOQQD-UHFFFAOYSA-N 1 0 212.337 1.779 40 0 BDABRO CSc1nnc(C2CC[NH2+]CC2)n1C ZINC000004399828 342747505 /nfs/dbraw/zinc/74/75/05/342747505.db2.gz OOFRASPADHOBHV-UHFFFAOYSA-N 1 0 212.322 1.004 40 0 BDABRO COc1cc(OC)c(C(N)=[NH2+])cc1Cl ZINC000072226061 259322677 /nfs/dbraw/zinc/32/26/77/259322677.db2.gz GKNSTHNLYJVSKJ-UHFFFAOYSA-N 1 0 214.652 1.641 40 0 BDABRO CCN(CC)c1ccc(CCO)c(C)[nH+]1 ZINC000072224317 259322044 /nfs/dbraw/zinc/32/20/44/259322044.db2.gz NVDZZYAHDHGKIN-UHFFFAOYSA-N 1 0 208.305 1.771 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccco1 ZINC000217671032 398322601 /nfs/dbraw/zinc/32/26/01/398322601.db2.gz ZBOTWDDBFUHQSN-DTWKUNHWSA-N 1 0 209.245 1.098 40 0 BDABRO [NH3+][C@@H]1CCCC[C@@H]1NCc1ccc2c(c1)OCO2 ZINC000218854862 398328890 /nfs/dbraw/zinc/32/88/90/398328890.db2.gz BVKHEYIEIBVHII-NEPJUHHUSA-N 1 0 248.326 1.775 40 0 BDABRO COc1ccc(C[NH+]2C[C@H](C)N(N)[C@@H](C)C2)cc1 ZINC000019167602 342942993 /nfs/dbraw/zinc/94/29/93/342942993.db2.gz RGRJYOKQNWGSAD-RYUDHWBXSA-N 1 0 249.358 1.464 40 0 BDABRO CCCc1ncc(C[N@@H+]2CC[C@@H](CO)C2)cn1 ZINC000019525727 342950991 /nfs/dbraw/zinc/95/09/91/342950991.db2.gz BXSKCKBJWTZMIM-LLVKDONJSA-N 1 0 235.331 1.243 40 0 BDABRO CCCn1nccc1[C@H]1CCCN1CC[NH3+] ZINC000022763053 343053761 /nfs/dbraw/zinc/05/37/61/343053761.db2.gz XSOVKQSLBWUFIJ-LLVKDONJSA-N 1 0 222.336 1.389 40 0 BDABRO CN1C(=O)c2ccccc2[C@]1(N)c1ccccc1 ZINC000028471882 343129564 /nfs/dbraw/zinc/12/95/64/343129564.db2.gz UFKAZIHEPKPBQF-HNNXBMFYSA-N 1 0 238.290 1.932 40 0 BDABRO CCCC[C@@H]1C[C@H](CSC(N)=[NH2+])OC1=O ZINC000005007623 187247589 /nfs/dbraw/zinc/24/75/89/187247589.db2.gz STORFKBLQPNTLC-HTQZYQBOSA-N 1 0 230.333 1.735 40 0 BDABRO CC(C)c1ncc(C[N@@H+]2CC[C@H](CO)C2)cn1 ZINC000019453984 187251571 /nfs/dbraw/zinc/25/15/71/187251571.db2.gz KKIRTSVRMWEFDO-NSHDSACASA-N 1 0 235.331 1.414 40 0 BDABRO Fc1cccc(CN2CCC[NH2+]CC2)c1F ZINC000036888316 343326404 /nfs/dbraw/zinc/32/64/04/343326404.db2.gz CAKCFSKNNGAKTF-UHFFFAOYSA-N 1 0 226.270 1.760 40 0 BDABRO CCN(Cc1ccccc1Cl)C(=O)C[NH3+] ZINC000037808771 343312636 /nfs/dbraw/zinc/31/26/36/343312636.db2.gz GIECONGQSZQTPG-UHFFFAOYSA-N 1 0 226.707 1.647 40 0 BDABRO C[NH+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000044137568 343493160 /nfs/dbraw/zinc/49/31/60/343493160.db2.gz SOFNSBHMEVBTNR-VIFPVBQESA-N 1 0 214.309 1.557 40 0 BDABRO CC(C)N(CC(=O)c1cccs1)C(=O)C[NH3+] ZINC000079436176 187262939 /nfs/dbraw/zinc/26/29/39/187262939.db2.gz AHQUPKIEBFTEHC-UHFFFAOYSA-N 1 0 240.328 1.127 40 0 BDABRO CC(=O)N[C@H]1CCCC[C@H]1N(CC[NH3+])C(C)C ZINC000079405692 187263475 /nfs/dbraw/zinc/26/34/75/187263475.db2.gz CIHCWDAEEWKLMH-QWHCGFSZSA-N 1 0 241.379 1.103 40 0 BDABRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000049584836 343603826 /nfs/dbraw/zinc/60/38/26/343603826.db2.gz IDJDDPDWYRVJPF-ZJUUUORDSA-N 1 0 226.320 1.748 40 0 BDABRO Cc1[nH]c2ccc(C(N)=O)cc2c1CC[NH3+] ZINC000059693454 343712438 /nfs/dbraw/zinc/71/24/38/343712438.db2.gz QWUZLKWALSNJRM-UHFFFAOYSA-N 1 0 217.272 1.076 40 0 BDABRO CC[NH2+][C@@H]1C(C)=N[C@@H]2C[C@@H](C(=O)OC)CC[C@H]21 ZINC000247963395 343721381 /nfs/dbraw/zinc/72/13/81/343721381.db2.gz PLYJHDWWKOTOCG-IRCOFANPSA-N 1 0 238.331 1.397 40 0 BDABRO CC[C@@H]([C@H]([NH3+])c1ccccc1C)S(C)(=O)=O ZINC000096524899 343759004 /nfs/dbraw/zinc/75/90/04/343759004.db2.gz QZDWTXYMANREPD-NWDGAFQWSA-N 1 0 241.356 1.818 40 0 BDABRO CSc1ccc(CN(C)CC[NH3+])cc1 ZINC000054417028 187272601 /nfs/dbraw/zinc/27/26/01/187272601.db2.gz LUHAWPSICSUFLP-UHFFFAOYSA-N 1 0 210.346 1.799 40 0 BDABRO [NH3+]CCCn1cc(-c2cccs2)cn1 ZINC000379528665 343796036 /nfs/dbraw/zinc/79/60/36/343796036.db2.gz HSFLSPYSRZSMAI-UHFFFAOYSA-N 1 0 207.302 1.960 40 0 BDABRO CO[C@H]1C[NH2+]CC[C@@H]1Cc1ccccc1F ZINC000221729823 346982766 /nfs/dbraw/zinc/98/27/66/346982766.db2.gz CTHARFBCWXNPQM-YPMHNXCESA-N 1 0 223.291 1.993 40 0 BDABRO C[C@H](Cn1cc(C[NH3+])nn1)c1ccccc1 ZINC000384710616 343810177 /nfs/dbraw/zinc/81/01/77/343810177.db2.gz GHVPHJLDKHBVQE-SNVBAGLBSA-N 1 0 216.288 1.541 40 0 BDABRO CCOc1ccc([C@@H]2C[NH2+]C[C@H]2N)cc1 ZINC000396917049 343810763 /nfs/dbraw/zinc/81/07/63/343810763.db2.gz NYWKNSURPSLGEQ-NWDGAFQWSA-N 1 0 206.289 1.099 40 0 BDABRO CCOc1ccccc1[C@@H]1C[NH2+]C[C@@H]1CO ZINC000396971377 343810827 /nfs/dbraw/zinc/81/08/27/343810827.db2.gz KDXIMIHSZYAWDX-ZYHUDNBSSA-N 1 0 221.300 1.381 40 0 BDABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](O)C[NH3+] ZINC000072207829 187276781 /nfs/dbraw/zinc/27/67/81/187276781.db2.gz CDFMLBYKFFGCGO-ZJUUUORDSA-N 1 0 244.335 1.096 40 0 BDABRO c1nn(CC2CCOCC2)cc1C1CC[NH2+]CC1 ZINC000575623515 343876271 /nfs/dbraw/zinc/87/62/71/343876271.db2.gz WKUWSTRTJNLDMN-UHFFFAOYSA-N 1 0 249.358 1.777 40 0 BDABRO [NH3+]CCCc1cnn(C[C@H]2CCCCO2)c1 ZINC000575623461 343876336 /nfs/dbraw/zinc/87/63/36/343876336.db2.gz SNZDKVFJBZLUAU-GFCCVEGCSA-N 1 0 223.320 1.344 40 0 BDABRO Cc1nc(COCC2CC[NH2+]CC2)co1 ZINC000585144211 343881073 /nfs/dbraw/zinc/88/10/73/343881073.db2.gz FOANXGAGXQHLSP-UHFFFAOYSA-N 1 0 210.277 1.499 40 0 BDABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000078578413 187280762 /nfs/dbraw/zinc/28/07/62/187280762.db2.gz ANFLHQKSOITLTO-LLVKDONJSA-N 1 0 218.300 1.967 40 0 BDABRO O=C1C[C@@]2(CN1Cc1cccnc1)CCCC[NH2+]2 ZINC000306125041 187356491 /nfs/dbraw/zinc/35/64/91/187356491.db2.gz CFLYLUVVUOGOLV-CQSZACIVSA-N 1 0 245.326 1.326 40 0 BDABRO Cc1ccc(COC[C@@H](O)C[NH3+])cc1C ZINC000095096262 187286956 /nfs/dbraw/zinc/28/69/56/187286956.db2.gz UNVOSZSAXUJNSD-LBPRGKRZSA-N 1 0 209.289 1.140 40 0 BDABRO Cn1ccnc1-c1cncc([C@@H]2CCC[N@@H+]2C)n1 ZINC000585178858 344276163 /nfs/dbraw/zinc/27/61/63/344276163.db2.gz SLMPYXHXCIFSFW-LBPRGKRZSA-N 1 0 243.314 1.644 40 0 BDABRO Cc1ccnc2[nH]c(C3CC[NH2+]CC3)nc21 ZINC000071257639 187359191 /nfs/dbraw/zinc/35/91/91/187359191.db2.gz OKVRCUZPJIIDFU-UHFFFAOYSA-N 1 0 216.288 1.733 40 0 BDABRO C[C@](O)(c1ccc(C[NH3+])cc1)C(F)(F)F ZINC000220926489 344641455 /nfs/dbraw/zinc/64/14/55/344641455.db2.gz RNTQOACKMCNYES-VIFPVBQESA-N 1 0 219.206 1.915 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccc1F ZINC000067173317 345716221 /nfs/dbraw/zinc/71/62/21/345716221.db2.gz PHKQMBKXMIDZOI-VHSXEESVSA-N 1 0 223.247 1.302 40 0 BDABRO O=[N+]1C2=C(CCCC2)N(O)C12CCCC2 ZINC000019288335 187313032 /nfs/dbraw/zinc/31/30/32/187313032.db2.gz HZGRGKKZPLLOAG-UHFFFAOYSA-N 1 0 208.261 1.747 40 0 BDABRO Cc1cccc(C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000054370402 179010635 /nfs/dbraw/zinc/01/06/35/179010635.db2.gz ADQUYYWWURPHMP-LLVKDONJSA-N 1 0 218.300 1.429 40 0 BDABRO c1cc(N2CCCC2)nnc1C1CC[NH2+]CC1 ZINC000328579327 187316945 /nfs/dbraw/zinc/31/69/45/187316945.db2.gz AJIYZKREORBYDN-UHFFFAOYSA-N 1 0 232.331 1.544 40 0 BDABRO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[NH2+]C2 ZINC000225489152 187320663 /nfs/dbraw/zinc/32/06/63/187320663.db2.gz RFAGPPBTGUMDMS-NSHDSACASA-N 1 0 232.283 1.814 40 0 biogenic,in-vitro BDABRO Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000082305619 179088303 /nfs/dbraw/zinc/08/83/03/179088303.db2.gz IEZHTOJVCOKYFA-AWEZNQCLSA-N 1 0 246.354 1.953 40 0 BDABRO Cc1cccc(N[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC000106980404 179155446 /nfs/dbraw/zinc/15/54/46/179155446.db2.gz NEWIHMPRBHSVJE-UONOGXRCSA-N 1 0 232.327 1.928 40 0 BDABRO Cc1cccc2c1S(=O)(=O)CC[C@@H]2[NH3+] ZINC000037665951 179222815 /nfs/dbraw/zinc/22/28/15/179222815.db2.gz MRMRUQSFIPICFN-VIFPVBQESA-N 1 0 211.286 1.172 40 0 BDABRO CCOc1ccccc1C(=O)N1CCC[NH2+]CC1 ZINC000022220571 347600237 /nfs/dbraw/zinc/60/02/37/347600237.db2.gz BQSHCIUKTDHFOO-UHFFFAOYSA-N 1 0 248.326 1.521 40 0 BDABRO Cc1ccccc1N1CC[C@H](OCC[NH3+])C1 ZINC000096528319 179295644 /nfs/dbraw/zinc/29/56/44/179295644.db2.gz VRDYJHRYOHEIGX-LBPRGKRZSA-N 1 0 220.316 1.549 40 0 BDABRO CNc1ncc(C[NH2+]Cc2ccc(F)cc2)cn1 ZINC000062717459 259407545 /nfs/dbraw/zinc/40/75/45/259407545.db2.gz QRKGJASVMQHMTR-UHFFFAOYSA-N 1 0 246.289 1.947 40 0 BDABRO Cc1nn(C)c(C)c1CN(C)C[C@H]1CCC[NH2+]1 ZINC000096523701 180336442 /nfs/dbraw/zinc/33/64/42/180336442.db2.gz CBTFPAXJJNYEKD-GFCCVEGCSA-N 1 0 236.363 1.221 40 0 BDABRO O=C1CCC[C@H]2[C@@H]3CCC[N@@H+]4CCC[C@H](CN12)[C@@H]34 ZINC000005850036 351265402 /nfs/dbraw/zinc/26/54/02/351265402.db2.gz ZSBXGIUJOOQZMP-OSFYFWSMSA-N 1 0 248.370 1.872 40 0 biogenic BDABRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000040804294 363145230 /nfs/dbraw/zinc/14/52/30/363145230.db2.gz CCXNJSCYNHHUQK-CABZTGNLSA-N 1 0 238.306 1.986 40 0 BDABRO C[C@H]([NH3+])C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000019430040 363145291 /nfs/dbraw/zinc/14/52/91/363145291.db2.gz VBCNXHQIPZRWSP-ZETCQYMHSA-N 1 0 246.232 1.669 40 0 BDABRO Cc1ccsc1C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000079440223 187966494 /nfs/dbraw/zinc/96/64/94/187966494.db2.gz CYCHHBNTGWHJAS-SNVBAGLBSA-N 1 0 238.356 1.881 40 0 BDABRO CCCC[C@@H]1C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000013111067 187994777 /nfs/dbraw/zinc/99/47/77/187994777.db2.gz STORFKBLQPNTLC-SFYZADRCSA-N 1 0 230.333 1.735 40 0 BDABRO C([C@H]1CCCO1)[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000195529400 188006472 /nfs/dbraw/zinc/00/64/72/188006472.db2.gz ANHZODBVTUMFQD-FRRDWIJNSA-N 1 0 225.332 1.809 40 0 BDABRO CC(C)Cn1ccc([C@@H]2CCCN2CC[NH3+])n1 ZINC000022763160 188007498 /nfs/dbraw/zinc/00/74/98/188007498.db2.gz GYRUHFBWVQELPH-ZDUSSCGKSA-N 1 0 236.363 1.635 40 0 BDABRO CC(=O)N1CCC[C@@H](c2cncn2C)C1 ZINC000257246996 188020551 /nfs/dbraw/zinc/02/05/51/188020551.db2.gz IWWVAVJLEIUTKZ-SNVBAGLBSA-N 1 0 207.277 1.146 40 0 BDABRO CCn1nc(C[NH2+]C)cc1C(F)(F)F ZINC000072209728 188047525 /nfs/dbraw/zinc/04/75/25/188047525.db2.gz KWERGBHRPUWJOU-UHFFFAOYSA-N 1 0 207.199 1.641 40 0 BDABRO [NH3+]C1(c2cnccc2Br)CC1 ZINC000215642370 353517599 /nfs/dbraw/zinc/51/75/99/353517599.db2.gz SYBXTEAGNPVUGN-UHFFFAOYSA-N 1 0 213.078 1.792 40 0 BDABRO [NH3+]C1(c2ccncc2Br)CC1 ZINC000215642296 353517661 /nfs/dbraw/zinc/51/76/61/353517661.db2.gz OOIPICOHZVYWBE-UHFFFAOYSA-N 1 0 213.078 1.792 40 0 BDABRO Fc1ccccc1[C@H]1NCC[C@H]2[NH+]=CN[C@H]21 ZINC000012375428 181016026 /nfs/dbraw/zinc/01/60/26/181016026.db2.gz CUGLGYBRHHCWRK-IJLUTSLNSA-N 1 0 219.263 1.229 40 0 BDABRO Fc1cncc(-c2noc([C@H]3CCC[NH2+]3)n2)c1 ZINC000095096661 181019993 /nfs/dbraw/zinc/01/99/93/181019993.db2.gz RVMAHWKEJOQJBY-SECBINFHSA-N 1 0 234.234 1.695 40 0 BDABRO NC(=[NH2+])Sc1cnc2ccccc2n1 ZINC000004390229 181192902 /nfs/dbraw/zinc/19/29/02/181192902.db2.gz APTSGQSHEKGWDI-UHFFFAOYSA-N 1 0 204.258 1.615 40 0 BDABRO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000039199442 181282380 /nfs/dbraw/zinc/28/23/80/181282380.db2.gz SOZQAONWQPHCPN-LLVKDONJSA-N 1 0 204.273 1.136 40 0 BDABRO [NH3+][C@H]1CCCN(c2cc(C3CC3)ncn2)C1 ZINC000212232425 356688974 /nfs/dbraw/zinc/68/89/74/356688974.db2.gz LMYZIOZBLFJWOP-JTQLQIEISA-N 1 0 218.304 1.282 40 0 BDABRO Cn1nc(C[NH+](C)C)c(-c2ccccc2)c1N ZINC000026511934 357164335 /nfs/dbraw/zinc/16/43/35/357164335.db2.gz MWNPLYMUVIYVJQ-UHFFFAOYSA-N 1 0 230.315 1.731 40 0 BDABRO Cc1c(C[NH2+]Cc2cccn2C)cnn1C ZINC000020351184 357339517 /nfs/dbraw/zinc/33/95/17/357339517.db2.gz BICAFXRNDZUVHX-UHFFFAOYSA-N 1 0 218.304 1.357 40 0 BDABRO NC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000075905092 181301857 /nfs/dbraw/zinc/30/18/57/181301857.db2.gz GIOVQVWPAAHLPH-LLVKDONJSA-N 1 0 204.273 1.253 40 0 BDABRO [NH3+]C1(Cc2cc(-c3cccc(O)c3)on2)COC1 ZINC000096296162 181332762 /nfs/dbraw/zinc/33/27/62/181332762.db2.gz LSWLGTKEBCXPRG-UHFFFAOYSA-N 1 0 246.266 1.317 40 0 biogenic,in-vitro BDABRO COC(=O)C[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000057517801 541426156 /nfs/dbraw/zinc/42/61/56/541426156.db2.gz ALAGUDIEYNICAD-VIFPVBQESA-N 1 0 227.691 1.945 40 0 BDABRO [NH3+]CCNc1nncc(N2CCCC2)c1Cl ZINC000217513997 181398565 /nfs/dbraw/zinc/39/85/65/181398565.db2.gz NPLVVDLGLXGWLJ-UHFFFAOYSA-N 1 0 241.726 1.101 40 0 BDABRO [NH3+]CCO[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000096528324 181399657 /nfs/dbraw/zinc/39/96/57/181399657.db2.gz LLVUUXZVPVWYQS-LBPRGKRZSA-N 1 0 224.279 1.380 40 0 BDABRO [NH3+]CCn1cc(Br)c(C2CC2)n1 ZINC000020313059 181415944 /nfs/dbraw/zinc/41/59/44/181415944.db2.gz HLVCFHGPKPMUIE-UHFFFAOYSA-N 1 0 230.109 1.482 40 0 BDABRO CC1(C)OCc2cc([C@@H](O)C[NH3+])ccc2O1 ZINC000115495369 368343589 /nfs/dbraw/zinc/34/35/89/368343589.db2.gz XTAAANMPVNIYBF-JTQLQIEISA-N 1 0 223.272 1.324 40 0 BDABRO Cc1cccc2c1C1(CC[NH2+]CC1)C(=O)N2 ZINC000146868756 368351098 /nfs/dbraw/zinc/35/10/98/368351098.db2.gz UGGOOCRCZUHYCW-UHFFFAOYSA-N 1 0 216.284 1.568 40 0 BDABRO Cc1nc(N)cc(C2(C)CC[NH2+]CC2)n1 ZINC000205684725 368356124 /nfs/dbraw/zinc/35/61/24/368356124.db2.gz RZYAJFHYYICBLA-UHFFFAOYSA-N 1 0 206.293 1.008 40 0 BDABRO Cc1nc(N)cc([C@@]2(C)CCC[NH2+]C2)n1 ZINC000205684591 368357154 /nfs/dbraw/zinc/35/71/54/368357154.db2.gz ZWOUAAHVUGKCFS-NSHDSACASA-N 1 0 206.293 1.008 40 0 BDABRO Cc1n[nH]cc1-c1cncc(C[C@H]2CC[NH2+]C2)n1 ZINC000205694104 368357714 /nfs/dbraw/zinc/35/77/14/368357714.db2.gz UQWOZVVFXXNAJW-SNVBAGLBSA-N 1 0 243.314 1.327 40 0 BDABRO Cc1ccc(OC[C@]2(O)CCC[NH2+]C2)cc1C ZINC000405205300 369450040 /nfs/dbraw/zinc/45/00/40/369450040.db2.gz WYONNXUXCYMGJF-AWEZNQCLSA-N 1 0 235.327 1.797 40 0 BDABRO CN(C)c1nc([C@@H]2CCC[NH2+]2)cn2cccc12 ZINC000205689091 369997135 /nfs/dbraw/zinc/99/71/35/369997135.db2.gz FAJNNJTZKRODTN-JTQLQIEISA-N 1 0 230.315 1.825 40 0 BDABRO N[C@@H]1C(=O)N(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000256052232 370636130 /nfs/dbraw/zinc/63/61/30/370636130.db2.gz MMESDOYNVGBLPW-QWRGUYRKSA-N 1 0 220.247 1.199 40 0 BDABRO Cc1ccc(OCC2(O)CC[NH2+]CC2)cc1C ZINC000156575899 371455735 /nfs/dbraw/zinc/45/57/35/371455735.db2.gz CZHWGHPGSDLJQT-UHFFFAOYSA-N 1 0 235.327 1.797 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1cccc(N)c1 ZINC000252516218 259548299 /nfs/dbraw/zinc/54/82/99/259548299.db2.gz QOISGXDCUJFTKH-RYUDHWBXSA-N 1 0 234.299 1.087 40 0 BDABRO O=C(C1CCC1)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000096157172 181868050 /nfs/dbraw/zinc/86/80/50/181868050.db2.gz HTSNZIATOLOOSC-CQSZACIVSA-N 1 0 236.359 1.779 40 0 BDABRO O=C(Cc1ccccc1)O[C@@H]1C[NH+]2CCC1CC2 ZINC000001730900 182044413 /nfs/dbraw/zinc/04/44/13/182044413.db2.gz DMFZRWNYDMLYHA-CQSZACIVSA-N 1 0 245.322 1.867 40 0 BDABRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000004889961 182119128 /nfs/dbraw/zinc/11/91/28/182119128.db2.gz QANAUZDHCPNRQE-FUNVUKJBSA-N 1 0 230.311 1.699 40 0 BDABRO O=C(N[C@@H]1CC[NH2+]C1)c1nccc2ccccc21 ZINC000052092885 182303959 /nfs/dbraw/zinc/30/39/59/182303959.db2.gz AWZGTZIVGDPJRS-LLVKDONJSA-N 1 0 241.294 1.327 40 0 BDABRO O=C(N[C@H]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000107746044 182315750 /nfs/dbraw/zinc/31/57/50/182315750.db2.gz UCODSSTYGDAZOR-PTEHBNRSSA-N 1 0 248.301 1.554 40 0 BDABRO O=C(Nc1ncccc1Cl)C1CC[NH2+]CC1 ZINC000096511359 182398865 /nfs/dbraw/zinc/39/88/65/182398865.db2.gz RAZCECFWNKHJGO-UHFFFAOYSA-N 1 0 239.706 1.673 40 0 BDABRO O=C1CCOC[C@H]2[NH2+]C[C@@H](c3ccccc3)[C@H]12 ZINC000095951742 182745194 /nfs/dbraw/zinc/74/51/94/182745194.db2.gz BIJGQBOZMHKTNQ-SCRDCRAPSA-N 1 0 231.295 1.348 40 0 BDABRO O=C1N(c2cccc(F)c2)CC[C@@]12CCC[NH2+]C2 ZINC000044136477 182789477 /nfs/dbraw/zinc/78/94/77/182789477.db2.gz SDAKOXHRBZROKO-CQSZACIVSA-N 1 0 248.301 1.932 40 0 BDABRO O=[S@@](c1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000079438574 182965037 /nfs/dbraw/zinc/96/50/37/182965037.db2.gz IRAOTQZJCAFVEL-IINYFYTJSA-N 1 0 213.277 1.295 40 0 BDABRO O=c1c2c(cnn1C1CCCCC1)C[NH2+]CC2 ZINC000095098013 182985959 /nfs/dbraw/zinc/98/59/59/182985959.db2.gz NMQFHILCVXQXIZ-UHFFFAOYSA-N 1 0 233.315 1.394 40 0 BDABRO CCCC[C@@H](CC)COC[C@H](O)C[NH3+] ZINC000020513503 168959667 /nfs/dbraw/zinc/95/96/67/168959667.db2.gz ZTFVNXZDADBUST-GHMZBOCLSA-N 1 0 203.326 1.539 40 0 BDABRO O[C@@H]1CC[N@H+]([C@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200043 183201304 /nfs/dbraw/zinc/20/13/04/183201304.db2.gz YGNNPJYPCIQFKX-SOUVJXGZSA-N 1 0 247.338 1.453 40 0 BDABRO O[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000036141188 183230675 /nfs/dbraw/zinc/23/06/75/183230675.db2.gz YACWOHWWWFUHCI-NSHDSACASA-N 1 0 219.284 1.625 40 0 BDABRO O[C@H]1C[C@@H]2CC[C@H]1[N@@H+]2Cc1ccccc1 ZINC000036459633 183248033 /nfs/dbraw/zinc/24/80/33/183248033.db2.gz VRJOXKWODDCDBE-XQQFMLRXSA-N 1 0 203.285 1.784 40 0 BDABRO O=C1CN(c2cnc3ccccc3c2)N=[O+]1 ZINC000013213574 183254077 /nfs/dbraw/zinc/25/40/77/183254077.db2.gz UFZVCQZBNZNTCY-UHFFFAOYSA-O 1 0 214.204 1.205 40 0 BDABRO c1cc(-c2n[nH]c3c2[C@H]2CC[C@@H](C3)[NH2+]2)ccn1 ZINC000096510294 183330961 /nfs/dbraw/zinc/33/09/61/183330961.db2.gz XYZDUXHRURFAGI-VHSXEESVSA-N 1 0 226.283 1.821 40 0 BDABRO CCC[N@@H+]1CC[C@@H](O)[C@@H]1Cc1cccnc1 ZINC000096200127 169206438 /nfs/dbraw/zinc/20/64/38/169206438.db2.gz WDQJPBRGXDYAPK-QWHCGFSZSA-N 1 0 220.316 1.469 40 0 BDABRO c1nnc([C@@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000054526803 183385924 /nfs/dbraw/zinc/38/59/24/183385924.db2.gz DYTYUZGOIYLDAT-LLVKDONJSA-N 1 0 228.299 1.734 40 0 BDABRO c1cn(-c2cccc([C@@H]3CCC[NH2+]3)n2)cn1 ZINC000072355927 183361278 /nfs/dbraw/zinc/36/12/78/183361278.db2.gz ARJGYTMYIJXZQW-JTQLQIEISA-N 1 0 214.272 1.692 40 0 BDABRO c1cnc(N2C[C@H]3C[NH+](CC4CC4)C[C@@H]3C2)nc1 ZINC000096054016 183480093 /nfs/dbraw/zinc/48/00/93/183480093.db2.gz QQADZYWXNYZLFL-CHWSQXEVSA-N 1 0 244.342 1.255 40 0 BDABRO CCC[C@@H](CCC[NH2+]CCOC)OC ZINC000085396239 169381941 /nfs/dbraw/zinc/38/19/41/169381941.db2.gz LAJCXAAZJPQFOI-NSHDSACASA-N 1 0 203.326 1.818 40 0 BDABRO CCCn1cc(CNCCC[NH+](C)C)cn1 ZINC000116912070 169618403 /nfs/dbraw/zinc/61/84/03/169618403.db2.gz KNUACXRSULFYBF-UHFFFAOYSA-N 1 0 224.352 1.334 40 0 BDABRO C[C@@H](CC[NH3+])n1nc(C(F)(F)F)ccc1=O ZINC000575622663 383876516 /nfs/dbraw/zinc/87/65/16/383876516.db2.gz OLQTTWRUSOKYRM-LURJTMIESA-N 1 0 235.209 1.172 40 0 BDABRO C[C@@H](NC(=O)C[NH3+])c1cccc(Cl)c1 ZINC000037975723 383892201 /nfs/dbraw/zinc/89/22/01/383892201.db2.gz JTWNXWPOROKFKK-SSDOTTSWSA-N 1 0 212.680 1.476 40 0 BDABRO CN(Cc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC000036300558 383894036 /nfs/dbraw/zinc/89/40/36/383894036.db2.gz QONQRVDVMXRSOZ-UHFFFAOYSA-N 1 0 248.326 1.599 40 0 BDABRO C[NH2+][C@@H](CO)c1ccccc1Br ZINC000038121325 383978406 /nfs/dbraw/zinc/97/84/06/383978406.db2.gz JDFOEVZULSZZCM-VIFPVBQESA-N 1 0 230.105 1.702 40 0 BDABRO CCc1c2cc(O)c(OC)cc2cc[n+]1C ZINC000068602017 384002842 /nfs/dbraw/zinc/00/28/42/384002842.db2.gz XJVUQFGYECWKEH-UHFFFAOYSA-O 1 0 218.276 1.941 40 0 BDABRO Nn1c(-c2ccccc2)c[n+]2ccccc12 ZINC000001870603 383937701 /nfs/dbraw/zinc/93/77/01/383937701.db2.gz HNPMGIBVARXBPA-UHFFFAOYSA-N 1 0 210.260 1.608 40 0 BDABRO Cc1cc(C)c2cc(C[NH2+]CCO)c(=O)[nH]c2c1 ZINC000004131190 384041763 /nfs/dbraw/zinc/04/17/63/384041763.db2.gz DKNJFHTVAGUFSK-UHFFFAOYSA-N 1 0 246.310 1.227 40 0 BDABRO [NH3+]C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000069978238 384071106 /nfs/dbraw/zinc/07/11/06/384071106.db2.gz LWOGDFBJRHHJTN-VIFPVBQESA-N 1 0 210.664 1.792 40 0 BDABRO FC(F)(F)c1cccc([C@H]2C[NH2+]CCN2)c1 ZINC000039363560 384113693 /nfs/dbraw/zinc/11/36/93/384113693.db2.gz YFYVJMADMDQPCS-SNVBAGLBSA-N 1 0 230.233 1.939 40 0 BDABRO COC(=O)[C@H]1C[C@H](C)[N@@H+]1C1CCCCC1 ZINC000005464839 384114985 /nfs/dbraw/zinc/11/49/85/384114985.db2.gz WDIDDUQBKWESQH-GXSJLCMTSA-N 1 0 211.305 1.955 40 0 BDABRO CC(C)[N@H+](CCO)C[C@@H]1CCCCN1C ZINC000079406051 384135886 /nfs/dbraw/zinc/13/58/86/384135886.db2.gz XUSMDMPSVODSDB-LBPRGKRZSA-N 1 0 214.353 1.173 40 0 BDABRO CN(Cc1ccccc1)C[C@H]1CCC[N@@H+]1CCO ZINC000079414106 384136157 /nfs/dbraw/zinc/13/61/57/384136157.db2.gz RSXMOGVTLJQRHR-OAHLLOKOSA-N 1 0 248.370 1.575 40 0 BDABRO C[NH2+][C@H]1CCCC[C@@H]1N(C(C)=O)C(C)C ZINC000079438170 384146709 /nfs/dbraw/zinc/14/67/09/384146709.db2.gz LNXWSIFVLXPWFU-RYUDHWBXSA-N 1 0 212.337 1.774 40 0 BDABRO C[NH2+][C@@H]1CCc2c1ccc(OC)c2OC ZINC000042405193 384149135 /nfs/dbraw/zinc/14/91/35/384149135.db2.gz IJMQNRQFTPOIEM-SNVBAGLBSA-N 1 0 207.273 1.911 40 0 BDABRO C[NH+](C)CCC[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1 ZINC000006426257 384153891 /nfs/dbraw/zinc/15/38/91/384153891.db2.gz ILVRZDGATWCZSB-CRWXNKLISA-N 1 0 220.360 1.692 40 0 BDABRO CC(=O)N(C(C)C)C1CCC([NH2+]CCO)CC1 ZINC000079416533 384140493 /nfs/dbraw/zinc/14/04/93/384140493.db2.gz AASKZLBOPMBDTO-UHFFFAOYSA-N 1 0 242.363 1.136 40 0 BDABRO CN(CC[NH3+])Cc1ccnc(Br)c1 ZINC000079421618 384144659 /nfs/dbraw/zinc/14/46/59/384144659.db2.gz IJIJAZXVKVCINS-UHFFFAOYSA-N 1 0 244.136 1.235 40 0 BDABRO C[C@H]([NH3+])C(=O)NCc1c(Cl)cccc1Cl ZINC000079420257 384145457 /nfs/dbraw/zinc/14/54/57/384145457.db2.gz SPZQNFUOKDYFBQ-LURJTMIESA-N 1 0 247.125 1.957 40 0 BDABRO CCOc1ccc2[nH]c3c(nc[nH+]c3NN)c2c1 ZINC000408712481 384180849 /nfs/dbraw/zinc/18/08/49/384180849.db2.gz QPEHRWZUAHOLRR-UHFFFAOYSA-N 1 0 243.270 1.795 40 0 BDABRO Nc1nccc([C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000072350807 384210178 /nfs/dbraw/zinc/21/01/78/384210178.db2.gz BACIVSYUCIPNOF-NSHDSACASA-N 1 0 232.331 1.648 40 0 BDABRO O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCCC1 ZINC000072345680 384210404 /nfs/dbraw/zinc/21/04/04/384210404.db2.gz HSTRQNCIFVTFCY-JTQLQIEISA-N 1 0 248.330 1.113 40 0 BDABRO Cn1cnnc1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000072361366 384213159 /nfs/dbraw/zinc/21/31/59/384213159.db2.gz DUQQRQIJDDEBFD-JTQLQIEISA-N 1 0 206.293 1.014 40 0 BDABRO Cc1cc(-c2cncnc2[C@H]2CCC[NH2+]C2)on1 ZINC000072373570 384216018 /nfs/dbraw/zinc/21/60/18/384216018.db2.gz AFAZAGQGXKCVSO-JTQLQIEISA-N 1 0 244.298 1.907 40 0 BDABRO Cn1cc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000072381902 384217107 /nfs/dbraw/zinc/21/71/07/384217107.db2.gz MGEZGWQDGGZXPE-LLVKDONJSA-N 1 0 231.303 1.133 40 0 BDABRO CC(=O)N[C@H]1CC[C@H]([N@@H+](CCO)C(C)C)CC1 ZINC000100178643 384281309 /nfs/dbraw/zinc/28/13/09/384281309.db2.gz TXUMEMUVUAAHNB-BETUJISGSA-N 1 0 242.363 1.136 40 0 BDABRO O=C1CCC2(CC[NH+](Cc3ccncc3)CC2)N1 ZINC000096227997 384446999 /nfs/dbraw/zinc/44/69/99/384446999.db2.gz AWBCWUCMKQJOFZ-UHFFFAOYSA-N 1 0 245.326 1.326 40 0 BDABRO F[C@H]1CC[NH2+]C[C@@]12CCN(Cc1ccncc1)C2 ZINC000096241248 384447475 /nfs/dbraw/zinc/44/74/75/384447475.db2.gz PAYRGVYUQFNYRC-UONOGXRCSA-N 1 0 249.333 1.605 40 0 BDABRO O=C1C[C@@]2(CCC[NH2+]C2)C(=O)N1C1CCCC1 ZINC000096268834 384450554 /nfs/dbraw/zinc/45/05/54/384450554.db2.gz GMNWJBXBZFNRJZ-CYBMUJFWSA-N 1 0 236.315 1.058 40 0 BDABRO O=C1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)N1 ZINC000096056438 384428182 /nfs/dbraw/zinc/42/81/82/384428182.db2.gz HHTZSYNWSPBMRC-MNOVXSKESA-N 1 0 220.272 1.133 40 0 BDABRO [NH3+][C@@]12C[C@@H]1CN(C(=O)c1cccc(Cl)c1)C2 ZINC000096054693 384428841 /nfs/dbraw/zinc/42/88/41/384428841.db2.gz DCBIGQXRIMBFOX-BXKDBHETSA-N 1 0 236.702 1.513 40 0 BDABRO O=C1CCC[C@@]2(CCC[N@H+](Cc3ccoc3)C2)N1 ZINC000096049934 384429519 /nfs/dbraw/zinc/42/95/19/384429519.db2.gz UBADBJGPDAYBSU-AWEZNQCLSA-N 1 0 248.326 1.914 40 0 BDABRO CN1C(=O)C[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccoc1 ZINC000096081176 384435964 /nfs/dbraw/zinc/43/59/64/384435964.db2.gz IEYZUUNCLCAFFI-WDEREUQCSA-N 1 0 220.272 1.085 40 0 BDABRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1 ZINC000096186194 384440398 /nfs/dbraw/zinc/44/03/98/384440398.db2.gz OEJGCXXQCJLZKF-ZIAGYGMSSA-N 1 0 244.338 1.882 40 0 BDABRO COCN(CCc1ccccc1)CC[NH+](C)C ZINC000019364647 384516589 /nfs/dbraw/zinc/51/65/89/384516589.db2.gz QRGDQTTZGABTTL-UHFFFAOYSA-N 1 0 236.359 1.697 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]2[NH2+]C[C@]2(C)C1 ZINC000238184750 384532015 /nfs/dbraw/zinc/53/20/15/384532015.db2.gz MAAKDBFEHVWWNI-GZMMTYOYSA-N 1 0 212.293 1.215 40 0 BDABRO C[N@@H+]1CCC[C@@H](C(=O)NCc2ccco2)C1 ZINC000082304940 384664143 /nfs/dbraw/zinc/66/41/43/384664143.db2.gz SDHAVIFGVAPSSO-SNVBAGLBSA-N 1 0 222.288 1.238 40 0 BDABRO [NH3+]Cc1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082536397 384689202 /nfs/dbraw/zinc/68/92/02/384689202.db2.gz QJARZYMWPNQKON-UHFFFAOYSA-N 1 0 218.212 1.529 40 0 BDABRO [NH3+]C[C@@H](C1CCCCC1)N1CCOCC1 ZINC000022172199 384738245 /nfs/dbraw/zinc/73/82/45/384738245.db2.gz MNRJTKDARAKRQA-LBPRGKRZSA-N 1 0 212.337 1.226 40 0 BDABRO COc1ccc(CC2C[NH2+]C2)cc1OC ZINC000022157816 384738951 /nfs/dbraw/zinc/73/89/51/384738951.db2.gz OTJJFVJXSYLBDB-UHFFFAOYSA-N 1 0 207.273 1.466 40 0 BDABRO CCCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932130 384758493 /nfs/dbraw/zinc/75/84/93/384758493.db2.gz RYIQOSVQISSMEY-LLVKDONJSA-N 1 0 225.336 1.276 40 0 BDABRO CCOc1ccc([C@@H](C[NH2+]C)OC)cc1 ZINC000062711447 384852807 /nfs/dbraw/zinc/85/28/07/384852807.db2.gz QFCDEKHGATVBIT-GFCCVEGCSA-N 1 0 209.289 1.992 40 0 BDABRO [NH3+]Cc1cc(F)c(OC2CCOCC2)c(F)c1 ZINC000085652880 384961773 /nfs/dbraw/zinc/96/17/73/384961773.db2.gz RGLBMAQHKSSNJP-UHFFFAOYSA-N 1 0 243.253 1.981 40 0 BDABRO CCOc1ccc(OC)cc1C[NH2+]CCO ZINC000095094939 384963860 /nfs/dbraw/zinc/96/38/60/384963860.db2.gz RYEOYINCWJYODO-UHFFFAOYSA-N 1 0 225.288 1.176 40 0 BDABRO Clc1ncc(CNC[C@@H]2CCC[NH2+]2)s1 ZINC000072203711 385057418 /nfs/dbraw/zinc/05/74/18/385057418.db2.gz CALPOJNKPCEJMZ-ZETCQYMHSA-N 1 0 231.752 1.638 40 0 BDABRO C[C@](C[NH3+])(c1ccccc1)N1CCOCC1 ZINC000059842768 385059214 /nfs/dbraw/zinc/05/92/14/385059214.db2.gz BVNIWEOVDSFNBP-ZDUSSCGKSA-N 1 0 220.316 1.193 40 0 BDABRO CC[C@](C)(Nc1ccccc1)[C@H](C[NH3+])CO ZINC000072210372 385066657 /nfs/dbraw/zinc/06/66/57/385066657.db2.gz MNVSZBWXJWTAFU-YPMHNXCESA-N 1 0 222.332 1.834 40 0 BDABRO CNc1ncccc1[C@H]1CCCN1C(C)=O ZINC000072212529 385076160 /nfs/dbraw/zinc/07/61/60/385076160.db2.gz TWVTXIYPAFBYND-LLVKDONJSA-N 1 0 219.288 1.807 40 0 BDABRO CC(=O)N1CCC[C@H]1c1ccc(N)nc1 ZINC000072212356 385076382 /nfs/dbraw/zinc/07/63/82/385076382.db2.gz XWBVRZVOIZYJJV-JTQLQIEISA-N 1 0 205.261 1.347 40 0 BDABRO CCN(C)c1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072212758 385078053 /nfs/dbraw/zinc/07/80/53/385078053.db2.gz JNBGVZHNVHDMHE-NSHDSACASA-N 1 0 205.305 1.962 40 0 BDABRO CC[C@H]([NH3+])c1ccc(N2CCOCC2)nc1 ZINC000072225495 385109677 /nfs/dbraw/zinc/10/96/77/385109677.db2.gz SOPVZPCCCHAUFG-NSHDSACASA-N 1 0 221.304 1.328 40 0 BDABRO Cc1cc([C@@H](C)[NH3+])cnc1N1CCOCC1 ZINC000072222513 385110864 /nfs/dbraw/zinc/11/08/64/385110864.db2.gz LGKIWZQUXJITOB-SNVBAGLBSA-N 1 0 221.304 1.246 40 0 BDABRO CC[C@@H](O)c1cnc(N2CC[NH+](C)CC2)c(C)c1 ZINC000072222562 385111287 /nfs/dbraw/zinc/11/12/87/385111287.db2.gz FGCOYFMHBPSDJF-CYBMUJFWSA-N 1 0 249.358 1.585 40 0 BDABRO CC[C@H](O)c1ccc(N2CC[NH2+]CC2)nc1C ZINC000072224622 385119290 /nfs/dbraw/zinc/11/92/90/385119290.db2.gz KJWONUUKNUOBQB-LBPRGKRZSA-N 1 0 235.331 1.243 40 0 BDABRO Cn1cc(-c2noc([C@H]3CCC[NH2+]CC3)n2)cn1 ZINC000095095444 385121106 /nfs/dbraw/zinc/12/11/06/385121106.db2.gz MTLYSDXAFBVWDQ-VIFPVBQESA-N 1 0 247.302 1.327 40 0 BDABRO COCCn1cc(CNc2ccccn2)cn1 ZINC000072226476 385124564 /nfs/dbraw/zinc/12/45/64/385124564.db2.gz BOFLPATWXOSXIJ-UHFFFAOYSA-N 1 0 232.287 1.537 40 0 BDABRO Cc1cc([C@H]2CCC[NH2+]2)cnc1N1CCOCC1 ZINC000072219323 385102947 /nfs/dbraw/zinc/10/29/47/385102947.db2.gz AKXPRKXMSHWNLO-CYBMUJFWSA-N 1 0 247.342 1.651 40 0 BDABRO Cc1nc2c(c(N3CCC([NH3+])CC3)n1)CCC2 ZINC000096516886 385256186 /nfs/dbraw/zinc/25/61/86/385256186.db2.gz YNPICGMSUYHYSZ-UHFFFAOYSA-N 1 0 232.331 1.201 40 0 BDABRO CCc1cc(N2CC[C@@H]([NH3+])C2)nc(C2CC2)n1 ZINC000096516990 385256566 /nfs/dbraw/zinc/25/65/66/385256566.db2.gz ZJNBFODVSDFLOJ-SNVBAGLBSA-N 1 0 232.331 1.454 40 0 BDABRO [NH3+][C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000096515986 385258660 /nfs/dbraw/zinc/25/86/60/385258660.db2.gz MLHFWNHJFPCBLC-QMMMGPOBSA-N 1 0 234.328 1.619 40 0 BDABRO Cc1noc(C)c1CCN(C)CCC[NH3+] ZINC000096523781 385268047 /nfs/dbraw/zinc/26/80/47/385268047.db2.gz YTADEFQNANUMJL-UHFFFAOYSA-N 1 0 211.309 1.115 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2n[nH]c3ccccc32)C1 ZINC000096523553 385268354 /nfs/dbraw/zinc/26/83/54/385268354.db2.gz XUMFEBATYXIJLQ-SNVBAGLBSA-N 1 0 230.315 1.486 40 0 BDABRO Cc1ccc(N2CC[C@@H](OCC[NH3+])C2)cc1C ZINC000096528334 385273631 /nfs/dbraw/zinc/27/36/31/385273631.db2.gz DAUCLZKQMBURSQ-CQSZACIVSA-N 1 0 234.343 1.857 40 0 BDABRO Cn1cccc1-c1noc([C@@H]2CCC[NH2+]2)n1 ZINC000328579385 385487820 /nfs/dbraw/zinc/48/78/20/385487820.db2.gz DPWMWCAEEVPXDT-QMMMGPOBSA-N 1 0 218.260 1.500 40 0 BDABRO Cc1noc([C@H]2C[NH2+]C[C@H]2c2cccnc2)n1 ZINC000328579740 385488893 /nfs/dbraw/zinc/48/88/93/385488893.db2.gz YZAPMRNPFAYYTE-QWRGUYRKSA-N 1 0 230.271 1.244 40 0 BDABRO C[Si](C)([NH3+])c1c(F)c(F)c(F)c(F)c1F ZINC000195782084 385487136 /nfs/dbraw/zinc/48/71/36/385487136.db2.gz HFZOKRDZQKIDGD-UHFFFAOYSA-N 1 0 241.235 1.753 40 0 BDABRO O=C(C[NH2+]C1CC1)Nc1ccc2c(c1)CCC2 ZINC000037386615 385641984 /nfs/dbraw/zinc/64/19/84/385641984.db2.gz AWCLMHXMRODZSD-UHFFFAOYSA-N 1 0 230.311 1.866 40 0 BDABRO CCO[C@@H](C[NH2+]C)c1ccc2c(c1)OCO2 ZINC000062711537 385687854 /nfs/dbraw/zinc/68/78/54/385687854.db2.gz AANTZPCKRQFTSQ-LBPRGKRZSA-N 1 0 223.272 1.712 40 0 BDABRO [NH3+]C[C@@]1(CO)C[C@H]1c1cc(F)ccc1F ZINC000062713732 385698584 /nfs/dbraw/zinc/69/85/84/385698584.db2.gz PGMLHHHLDWBQTK-GXSJLCMTSA-N 1 0 213.227 1.390 40 0 BDABRO CSc1ncc(C[NH2+]Cc2ccncc2)cn1 ZINC000062717247 385711816 /nfs/dbraw/zinc/71/18/16/385711816.db2.gz FSWSHDXPYPPPOH-UHFFFAOYSA-N 1 0 246.339 1.883 40 0 BDABRO O=C1CCN(C2CC2)c2cc[nH+]cc2N1 ZINC000086158969 385750540 /nfs/dbraw/zinc/75/05/40/385750540.db2.gz YIJHSYYORAJGGI-UHFFFAOYSA-N 1 0 203.245 1.393 40 0 BDABRO Cn1cc(-c2cnc(C[C@@H]3CC[NH2+]C3)cn2)cn1 ZINC000257238110 385755061 /nfs/dbraw/zinc/75/50/61/385755061.db2.gz HJQBGPFFQDSKOF-JTQLQIEISA-N 1 0 243.314 1.029 40 0 BDABRO c1cn(-c2ccc(C[C@@H]3CC[NH2+]C3)cn2)cn1 ZINC000257268165 385757383 /nfs/dbraw/zinc/75/73/83/385757383.db2.gz MKMMOANZWPIPLY-LBPRGKRZSA-N 1 0 228.299 1.419 40 0 BDABRO c1n[nH]cc1-c1cnc(C[C@H]2CCC[NH2+]C2)cn1 ZINC000257254675 385758387 /nfs/dbraw/zinc/75/83/87/385758387.db2.gz KEEUDMZQUZKBFX-SNVBAGLBSA-N 1 0 243.314 1.409 40 0 BDABRO Cn1ccc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)n1 ZINC000257303011 385762665 /nfs/dbraw/zinc/76/26/65/385762665.db2.gz SFKOTNFEHGORJU-JTQLQIEISA-N 1 0 231.303 1.133 40 0 BDABRO CC(C)(C)OC(=O)N1CCSC[C@@H]1C[NH3+] ZINC000071478967 385727395 /nfs/dbraw/zinc/72/73/95/385727395.db2.gz DDVWZKBCRRKHPY-QMMMGPOBSA-N 1 0 232.349 1.298 40 0 BDABRO Fc1ccc2c(c1)[C@@]1(CCC2)COCC[NH2+]1 ZINC000306145713 385995078 /nfs/dbraw/zinc/99/50/78/385995078.db2.gz OHUIDCSGLLSJSX-CYBMUJFWSA-N 1 0 221.275 1.977 40 0 BDABRO Fc1ccc(-c2n[nH]c3c2CC[NH2+]CC3)cc1 ZINC000306143875 385991435 /nfs/dbraw/zinc/99/14/35/385991435.db2.gz YOZGUJJGVBYZQY-UHFFFAOYSA-N 1 0 231.274 1.904 40 0 BDABRO Cn1cc([C@H]2COC3(C2)CC[NH2+]CC3)cn1 ZINC000306133590 385993085 /nfs/dbraw/zinc/99/30/85/385993085.db2.gz MQHCBVNFCVPRMI-SNVBAGLBSA-N 1 0 221.304 1.046 40 0 BDABRO Fc1ccc2c(c1)CC[C@@]21COCC[NH2+]1 ZINC000306145729 385995339 /nfs/dbraw/zinc/99/53/39/385995339.db2.gz OSFOGHVKUKJGSU-GFCCVEGCSA-N 1 0 207.248 1.587 40 0 BDABRO CCC[C@@H]([NH3+])CN(C)CCc1ccncc1 ZINC000048260197 386077947 /nfs/dbraw/zinc/07/79/47/386077947.db2.gz ORCQCUYNGLIOBO-CYBMUJFWSA-N 1 0 221.348 1.683 40 0 BDABRO CC(C)C(=O)Nc1ccc(CC(N)=[NH2+])cc1 ZINC000225008338 386163730 /nfs/dbraw/zinc/16/37/30/386163730.db2.gz DJYVFWKQLUSNER-UHFFFAOYSA-N 1 0 219.288 1.760 40 0 BDABRO [NH3+][C@H]1COC[C@@H]1Nc1cccc(C(F)(F)F)c1 ZINC000218678804 386264231 /nfs/dbraw/zinc/26/42/31/386264231.db2.gz BUJHTNQNWWTXLA-UWVGGRQHSA-N 1 0 246.232 1.843 40 0 BDABRO Cc1noc([C@@H]2C[NH2+]C[C@@H]2c2cccs2)n1 ZINC000328579460 386528285 /nfs/dbraw/zinc/52/82/85/386528285.db2.gz JSOYNKZEHUNFPH-DTWKUNHWSA-N 1 0 235.312 1.910 40 0 BDABRO O=C1c2cccc(F)c2CN1[C@H]1CCC[NH2+]C1 ZINC000098213960 386582992 /nfs/dbraw/zinc/58/29/92/386582992.db2.gz QXLBBIASRURMAJ-VIFPVBQESA-N 1 0 234.274 1.534 40 0 BDABRO CCS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@@H]1c1cccc(F)c1 ZINC000218545801 386704381 /nfs/dbraw/zinc/70/43/81/386704381.db2.gz VKDAXLOTUGJBND-AXFHLTTASA-N 1 0 243.303 1.054 40 0 BDABRO CC(C)n1ncc2c1C[C@H](C[NH3+])CCC2 ZINC000575424769 387045368 /nfs/dbraw/zinc/04/53/68/387045368.db2.gz MMAUIXWSPLVZIP-SNVBAGLBSA-N 1 0 207.321 1.918 40 0 BDABRO CCn1cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cn1 ZINC000575410780 387015046 /nfs/dbraw/zinc/01/50/46/387015046.db2.gz HJBBDGWGNDRXCL-SECBINFHSA-N 1 0 247.302 1.420 40 0 BDABRO c1cc(-c2cc(N3CC[NH2+]CC3)ncn2)cs1 ZINC000575415195 387023626 /nfs/dbraw/zinc/02/36/26/387023626.db2.gz VQDWEZMPBPQNPK-UHFFFAOYSA-N 1 0 246.339 1.615 40 0 BDABRO CCn1ccnc1[C@H]([NH3+])[C@H]1CCCOC1 ZINC000083721115 387421317 /nfs/dbraw/zinc/42/13/17/387421317.db2.gz ZIUURKZUGRXXDW-VHSXEESVSA-N 1 0 209.293 1.329 40 0 BDABRO Cn1nccc1C[NH2+]Cc1cccs1 ZINC000020351271 387849326 /nfs/dbraw/zinc/84/93/26/387849326.db2.gz TXLIQAZFTWRFOS-UHFFFAOYSA-N 1 0 207.302 1.771 40 0 BDABRO [NH3+][C@H]1CCN(c2ncnc3ccccc32)C1 ZINC000050244291 387849383 /nfs/dbraw/zinc/84/93/83/387849383.db2.gz JUOPLTBLHDAQTE-VIFPVBQESA-N 1 0 214.272 1.167 40 0 BDABRO CCCn1cc(C[NH2+]CCCCO)cn1 ZINC000193281254 387852188 /nfs/dbraw/zinc/85/21/88/387852188.db2.gz HSNDCAQXPDCCMV-UHFFFAOYSA-N 1 0 211.309 1.155 40 0 BDABRO O=C(C1CCCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282437 387892133 /nfs/dbraw/zinc/89/21/33/387892133.db2.gz FGEXAMGNEUAGCV-TXEJJXNPSA-N 1 0 222.332 1.245 40 0 BDABRO CN[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000050269878 387955160 /nfs/dbraw/zinc/95/51/60/387955160.db2.gz ZJYXZZRBIYAUPX-QMMMGPOBSA-N 1 0 202.660 1.698 40 0 BDABRO CCOCCO[C@@H]1C[NH2+][C@H](CC(C)C)C1 ZINC000217862737 388382499 /nfs/dbraw/zinc/38/24/99/388382499.db2.gz RXMBQUIOYOLZGS-NEPJUHHUSA-N 1 0 215.337 1.816 40 0 BDABRO Cc1ccncc1N(C)CC1CC[NH2+]CC1 ZINC000242548646 388399434 /nfs/dbraw/zinc/39/94/34/388399434.db2.gz LRFSDVOCAZSVMF-UHFFFAOYSA-N 1 0 219.332 1.826 40 0 BDABRO COCC[N@@H+]1C[C@H](O)C[C@H]1CC(C)C ZINC000242543505 388399516 /nfs/dbraw/zinc/39/95/16/388399516.db2.gz KCSROKQMPMKGEU-GHMZBOCLSA-N 1 0 201.310 1.114 40 0 BDABRO C[NH2+]C[C@@H]1CC[C@@]2(CCOC(C)(C)C2)O1 ZINC000242548211 388399643 /nfs/dbraw/zinc/39/96/43/388399643.db2.gz LDCGOVCOSZSMCK-JQWIXIFHSA-N 1 0 213.321 1.713 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccccc1F ZINC000242688668 388400858 /nfs/dbraw/zinc/40/08/58/388400858.db2.gz VWHZWDWGOAOBKG-QWRGUYRKSA-N 1 0 237.274 1.644 40 0 BDABRO CC(C)c1ccc(C[NH3+])c(N2CCC(O)CC2)n1 ZINC000242688367 388400888 /nfs/dbraw/zinc/40/08/88/388400888.db2.gz VONXAWSBDRWZIX-UHFFFAOYSA-N 1 0 249.358 1.625 40 0 BDABRO Cc1noc(-c2ccc(OCC(=[NH2+])NO)cc2)n1 ZINC000504065684 388601673 /nfs/dbraw/zinc/60/16/73/388601673.db2.gz AJNGFMISSZLJSE-UHFFFAOYSA-N 1 0 248.242 1.380 40 0 BDABRO Cc1ccncc1N(C)C[C@H]1CCC[NH2+]1 ZINC000242400332 388580280 /nfs/dbraw/zinc/58/02/80/388580280.db2.gz AUPAGPRASRBFRG-LLVKDONJSA-N 1 0 205.305 1.578 40 0 BDABRO C[C@H]([NH3+])[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C ZINC000108361378 388620012 /nfs/dbraw/zinc/62/00/12/388620012.db2.gz CABIRYRCSXLJTD-YIZRAAEISA-N 1 0 232.299 1.681 40 0 BDABRO c1ccn(C[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c1 ZINC000248329649 388625932 /nfs/dbraw/zinc/62/59/32/388625932.db2.gz DQMLLTCZMBQSFE-SRVKXCTJSA-N 1 0 206.289 1.255 40 0 BDABRO Cc1ccc([C@H](C)O[C@@H]2CC[NH2+]C2)cn1 ZINC000252478448 388652905 /nfs/dbraw/zinc/65/29/05/388652905.db2.gz AMQJQFCZDRKDBV-CMPLNLGQSA-N 1 0 206.289 1.830 40 0 BDABRO Cc1ccc([C@H]2C[N@H+](C)C[C@H]2CO)cc1 ZINC000252515081 388653894 /nfs/dbraw/zinc/65/38/94/388653894.db2.gz GYBGIDIQZMAAIP-QWHCGFSZSA-N 1 0 205.301 1.633 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccc(N)cc1 ZINC000252515426 388654151 /nfs/dbraw/zinc/65/41/51/388654151.db2.gz JSOMRGBZMHYPNK-RYUDHWBXSA-N 1 0 234.299 1.087 40 0 BDABRO COC(=O)[C@H]1CC[NH2+][C@H]1c1ccccc1 ZINC000075606074 388660787 /nfs/dbraw/zinc/66/07/87/388660787.db2.gz CQACFNSKPYNJEE-QWRGUYRKSA-N 1 0 205.257 1.510 40 0 BDABRO Cn1cncc1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000257277355 388698680 /nfs/dbraw/zinc/69/86/80/388698680.db2.gz NXQOJBZMTDYSES-UHFFFAOYSA-N 1 0 242.326 1.949 40 0 BDABRO [NH3+]C[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000011888344 388711334 /nfs/dbraw/zinc/71/13/34/388711334.db2.gz YUZWLFIRLGSVNF-LBPRGKRZSA-N 1 0 222.307 1.996 40 0 BDABRO Cc1nnc([C@@H]([NH3+])c2ccc(C)cc2)[nH]1 ZINC000095534068 388777435 /nfs/dbraw/zinc/77/74/35/388777435.db2.gz ACBWLASJFWAAEI-JTQLQIEISA-N 1 0 202.261 1.470 40 0 BDABRO Cc1ccc([C@H]2C[N@H+](C)C[C@@H]2CO)cc1 ZINC000225608793 388839690 /nfs/dbraw/zinc/83/96/90/388839690.db2.gz GYBGIDIQZMAAIP-CHWSQXEVSA-N 1 0 205.301 1.633 40 0 BDABRO CC(C)OCCCN1CC[NH2+][C@H]2CCC[C@@H]21 ZINC000225716042 388840359 /nfs/dbraw/zinc/84/03/59/388840359.db2.gz SHGHLIYBOOHATO-STQMWFEESA-N 1 0 226.364 1.628 40 0 BDABRO [NH3+]Cc1ccc(N2CCOCC2=O)c(Cl)c1 ZINC000199775310 132282172 /nfs/dbraw/zinc/28/21/72/132282172.db2.gz SZDJGJPFMSLZBQ-UHFFFAOYSA-N 1 0 240.690 1.162 40 0 BDABRO CC[NH+]1CCN(c2ccc(NC(C)=O)cc2)CC1 ZINC000006517633 132318246 /nfs/dbraw/zinc/31/82/46/132318246.db2.gz AEZMABWGLLBJQK-UHFFFAOYSA-N 1 0 247.342 1.787 40 0 BDABRO OCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019785884 132327264 /nfs/dbraw/zinc/32/72/64/132327264.db2.gz HYPXXPJLGDQJDV-UHFFFAOYSA-N 1 0 240.734 1.454 40 0 BDABRO C[NH+]1CCN(c2cccc(F)c2N)CC1 ZINC000037418995 132344576 /nfs/dbraw/zinc/34/45/76/132344576.db2.gz JEBYSTFHAYQSKN-UHFFFAOYSA-N 1 0 209.268 1.160 40 0 BDABRO c1cc2c(c(N3CC[NH2+]CC3)c1)CCCO2 ZINC000062527048 132387346 /nfs/dbraw/zinc/38/73/46/132387346.db2.gz MEIFUSPWFWXMBQ-UHFFFAOYSA-N 1 0 218.300 1.421 40 0 BDABRO CSc1nccc(N2CCC[C@H]([NH3+])C2)n1 ZINC000072203137 132396377 /nfs/dbraw/zinc/39/63/77/132396377.db2.gz TYDVDJYWMAXTNL-QMMMGPOBSA-N 1 0 224.333 1.126 40 0 BDABRO CSc1c2c(cc3c1C[NH2+]C[C@H]3O)OCO2 ZINC000261829838 135112152 /nfs/dbraw/zinc/11/21/52/135112152.db2.gz ULXBGLVQODISGB-MRVPVSSYSA-N 1 0 239.296 1.274 40 0 BDABRO O=C(Nc1ccccc1O)[C@H]1CCCCC[NH2+]1 ZINC000081002242 135385917 /nfs/dbraw/zinc/38/59/17/135385917.db2.gz YJIXFTJQVCPRSK-LLVKDONJSA-N 1 0 234.299 1.863 40 0 BDABRO [NH3+]CCc1cc2cccc3c2n(c1=O)CC3 ZINC000044398108 398102791 /nfs/dbraw/zinc/10/27/91/398102791.db2.gz JPGVMIQLBQSWMA-UHFFFAOYSA-N 1 0 214.268 1.059 40 0 BDABRO CC(C)(C)OC(=O)N1CC2(C1)CSC[C@@H]2[NH3+] ZINC000306145302 166645335 /nfs/dbraw/zinc/64/53/35/166645335.db2.gz AWEASOFQSKWYED-QMMMGPOBSA-N 1 0 244.360 1.298 40 0 BDABRO CC(C)C[NH2+]CCC(=O)OC(C)(C)C ZINC000005066435 167002242 /nfs/dbraw/zinc/00/22/42/167002242.db2.gz CGPMFXIYPBJPLQ-UHFFFAOYSA-N 1 0 201.310 1.964 40 0 BDABRO CC(C)NC(=O)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC000096071899 167069979 /nfs/dbraw/zinc/06/99/79/167069979.db2.gz JJDDWFLCXUCJPL-ZDUSSCGKSA-N 1 0 239.363 1.713 40 0 BDABRO CC[NH+](CC)CC[C@H](C(N)=O)c1ccccc1 ZINC000001700047 169783526 /nfs/dbraw/zinc/78/35/26/169783526.db2.gz HFBSQJRAVKIURY-ZDUSSCGKSA-N 1 0 234.343 1.987 40 0 BDABRO CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000074707290 168171382 /nfs/dbraw/zinc/17/13/82/168171382.db2.gz DKBCLGPDYBGBQK-UHFFFAOYSA-N 1 0 224.348 1.587 40 0 BDABRO CC[NH2+]CC(=O)N(C)c1ccc(C)cc1 ZINC000050008783 170109137 /nfs/dbraw/zinc/10/91/37/170109137.db2.gz GROLWHFHMUXXTJ-UHFFFAOYSA-N 1 0 206.289 1.567 40 0 BDABRO CC[NH2+]Cc1cc(-c2ccco2)n(C)n1 ZINC000072226275 170124668 /nfs/dbraw/zinc/12/46/68/170124668.db2.gz SWEAPGSKSYECQV-UHFFFAOYSA-N 1 0 205.261 1.790 40 0 BDABRO CCOC(=O)CC[NH2+]CCN1CCCCC1 ZINC000047219005 170209233 /nfs/dbraw/zinc/20/92/33/170209233.db2.gz MUHJIWRBFQKCLN-UHFFFAOYSA-N 1 0 228.336 1.015 40 0 BDABRO CCOC(=O)[C@@]12CCC[C@H]1[NH2+]CC=CC2 ZINC000019530247 170286392 /nfs/dbraw/zinc/28/63/92/170286392.db2.gz HZRXQOZZQMSECJ-PWSUYJOCSA-N 1 0 209.289 1.638 40 0 BDABRO CCOC(=O)[C@@]12CCC[C@@H]1[NH2+]CC=CC2 ZINC000019530243 170286866 /nfs/dbraw/zinc/28/68/66/170286866.db2.gz HZRXQOZZQMSECJ-JQWIXIFHSA-N 1 0 209.289 1.638 40 0 BDABRO CCO[C@H](C[NH2+]C)c1ccccc1OC ZINC000050482220 170504380 /nfs/dbraw/zinc/50/43/80/170504380.db2.gz ILPZROBFOHIYAI-GFCCVEGCSA-N 1 0 209.289 1.992 40 0 BDABRO CC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1F ZINC000006440696 171341232 /nfs/dbraw/zinc/34/12/32/171341232.db2.gz QDPQIXRPGZNCHF-WDEREUQCSA-N 1 0 241.306 1.954 40 0 BDABRO CCc1cccc2cc(C[NH3+])c(=O)[nH]c21 ZINC000004902153 171869710 /nfs/dbraw/zinc/86/97/10/171869710.db2.gz WSOZFCYHVABWHX-UHFFFAOYSA-N 1 0 202.257 1.549 40 0 BDABRO CCn1c2ccccc2cc(C[NH2+]C)c1=O ZINC000036625065 172132400 /nfs/dbraw/zinc/13/24/00/172132400.db2.gz YGHALVFOTBYNPK-UHFFFAOYSA-N 1 0 216.284 1.741 40 0 BDABRO CCn1cc(C[NH2+]C[C@H]2CCCO2)cn1 ZINC000050539442 172171503 /nfs/dbraw/zinc/17/15/03/172171503.db2.gz AUPZYIHGKKBZJG-LLVKDONJSA-N 1 0 209.293 1.172 40 0 BDABRO CCn1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)n1 ZINC000096511444 172200181 /nfs/dbraw/zinc/20/01/81/172200181.db2.gz YONBPCMHXJKAOA-MRVPVSSYSA-N 1 0 233.275 1.378 40 0 BDABRO CCn1nc(C)c(CN(C)CCC[NH3+])c1C ZINC000096523789 172245870 /nfs/dbraw/zinc/24/58/70/172245870.db2.gz FPHBGRPWISSKJS-UHFFFAOYSA-N 1 0 224.352 1.300 40 0 BDABRO CCn1ncc(-c2cc(C[NH3+])no2)c1C ZINC000026545442 172251348 /nfs/dbraw/zinc/25/13/48/172251348.db2.gz AIXXFJRAGBIASO-UHFFFAOYSA-N 1 0 206.249 1.325 40 0 BDABRO CCn1ncc2c1[C@H](COC)C[N@H+](CC1CC1)C2 ZINC000096060165 172257157 /nfs/dbraw/zinc/25/71/57/172257157.db2.gz SYLMFPLZADGJLA-ZDUSSCGKSA-N 1 0 249.358 1.859 40 0 BDABRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000022000533 172325266 /nfs/dbraw/zinc/32/52/66/172325266.db2.gz QJMYPERUKAEOQL-SECBINFHSA-N 1 0 214.309 1.953 40 0 BDABRO C[NH+](C)CC(=O)N1CCCC[C@H]1c1cnccn1 ZINC000072359889 172413595 /nfs/dbraw/zinc/41/35/95/172413595.db2.gz YANMYMWYIGPNGY-LBPRGKRZSA-N 1 0 248.330 1.092 40 0 BDABRO CN1CCC2(CC[NH+](CC3CC3)CC2)C1=O ZINC000096046724 173003086 /nfs/dbraw/zinc/00/30/86/173003086.db2.gz OPMLCUAIQNXVDH-UHFFFAOYSA-N 1 0 222.332 1.341 40 0 BDABRO C[N@@H+]1CCc2nc(NCc3ccco3)ncc2C1 ZINC000049474149 173174585 /nfs/dbraw/zinc/17/45/85/173174585.db2.gz VREFYTCJRPBCKF-UHFFFAOYSA-N 1 0 244.298 1.670 40 0 BDABRO CN1C[C@@H](c2ccc(Cl)cc2)[C@H]([NH3+])C1 ZINC000082952758 173183868 /nfs/dbraw/zinc/18/38/68/173183868.db2.gz LUHOAPONKQKMFS-WDEREUQCSA-N 1 0 210.708 1.696 40 0 BDABRO C[N@@H+]1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 ZINC000217673152 173192797 /nfs/dbraw/zinc/19/27/97/173192797.db2.gz YERUOLXDZSNEDO-PWSUYJOCSA-N 1 0 225.719 1.978 40 0 BDABRO C[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000019406392 173334035 /nfs/dbraw/zinc/33/40/35/173334035.db2.gz JXHCOVAMVFGQPX-UHFFFAOYSA-N 1 0 243.104 1.607 40 0 BDABRO C[NH2+]C[C@@H](OC)c1ccc(OC)cc1OC ZINC000062711456 173366845 /nfs/dbraw/zinc/36/68/45/173366845.db2.gz RPUYBMBPOGKNEI-GFCCVEGCSA-N 1 0 225.288 1.611 40 0 BDABRO COC(=O)[C@@H]1CCCN1c1cccc(C[NH3+])c1 ZINC000026896336 173725944 /nfs/dbraw/zinc/72/59/44/173725944.db2.gz HNSKNJDGELIFSD-LBPRGKRZSA-N 1 0 234.299 1.287 40 0 BDABRO COCCC[NH2+]Cc1cccn1CCOC ZINC000223678441 174248464 /nfs/dbraw/zinc/24/84/64/174248464.db2.gz HZQZJIQRVZACPD-UHFFFAOYSA-N 1 0 226.320 1.261 40 0 BDABRO COCC[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000096200037 174312838 /nfs/dbraw/zinc/31/28/38/174312838.db2.gz HJFFKKKKYSNFMV-UONOGXRCSA-N 1 0 235.327 1.311 40 0 BDABRO COCC[NH2+]Cc1cc(C)n(CCOC)c1C ZINC000223660475 174334548 /nfs/dbraw/zinc/33/45/48/174334548.db2.gz SGRDFYLOBAXWKV-UHFFFAOYSA-N 1 0 240.347 1.487 40 0 BDABRO COCC[NH2+]Cc1cnn(CC(C)C)c1 ZINC000054720438 174335441 /nfs/dbraw/zinc/33/54/41/174335441.db2.gz JAFMTACXYOLPAS-UHFFFAOYSA-N 1 0 211.309 1.275 40 0 BDABRO COc1c(C)cc(-c2noc(CC[NH3+])n2)cc1C ZINC000075808096 174920563 /nfs/dbraw/zinc/92/05/63/174920563.db2.gz WDZJWHRBLHJOPE-UHFFFAOYSA-N 1 0 247.298 1.863 40 0 BDABRO COc1cc(OC)cc([C@H]2C[C@@H]2C[NH3+])c1 ZINC000054586906 175011188 /nfs/dbraw/zinc/01/11/88/175011188.db2.gz LGXSZDLANONVOM-BXKDBHETSA-N 1 0 207.273 1.766 40 0 BDABRO COc1cc(OC)cc([C@@H]2C[NH2+]CCO2)c1 ZINC000040435102 175011296 /nfs/dbraw/zinc/01/12/96/175011296.db2.gz LICGDAWBAOLRBG-LBPRGKRZSA-N 1 0 223.272 1.365 40 0 BDABRO COc1cc(OC2CC[NH+](C)CC2)ccc1N ZINC000085223468 175012435 /nfs/dbraw/zinc/01/24/35/175012435.db2.gz XTWVCSNXEQMXKX-UHFFFAOYSA-N 1 0 236.315 1.750 40 0 BDABRO COc1ccc(CC[NH2+][C@@H]2CCCNC2)cc1 ZINC000043323982 175091527 /nfs/dbraw/zinc/09/15/27/175091527.db2.gz OPGHXKVZVJJUIO-CYBMUJFWSA-N 1 0 234.343 1.579 40 0 BDABRO COc1ccc(CN(CC[NH3+])C2CC2)cc1 ZINC000032013709 175097103 /nfs/dbraw/zinc/09/71/03/175097103.db2.gz HVDSACFDLJOIPQ-UHFFFAOYSA-N 1 0 220.316 1.618 40 0 BDABRO COc1ccc(COC[C@@H](O)C[NH3+])cc1Cl ZINC000095096280 175113055 /nfs/dbraw/zinc/11/30/55/175113055.db2.gz RQUWCFCXVGUHMO-VIFPVBQESA-N 1 0 245.706 1.185 40 0 BDABRO COc1ccc(F)c(CN2CCC[C@@H]([NH3+])C2)c1 ZINC000038539910 175124947 /nfs/dbraw/zinc/12/49/47/175124947.db2.gz AEWHBCYDQWZFDG-LLVKDONJSA-N 1 0 238.306 1.757 40 0 BDABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000082325934 175145410 /nfs/dbraw/zinc/14/54/10/175145410.db2.gz MJKDJUVDFAKEJR-LLVKDONJSA-N 1 0 248.326 1.976 40 0 BDABRO COc1ccc([C@@H]2CC(N)=[NH+]N2C)cc1OC ZINC000222548946 175182063 /nfs/dbraw/zinc/18/20/63/175182063.db2.gz YXHRLDMHQXKGJO-VIFPVBQESA-N 1 0 235.287 1.353 40 0 BDABRO COc1ccc2c(c1)CCC[C@@H]([NH3+])[C@@H]2O ZINC000008699478 175207753 /nfs/dbraw/zinc/20/77/53/175207753.db2.gz NRISILHIRDWJME-VXGBXAGGSA-N 1 0 207.273 1.392 40 0 BDABRO COc1ccc2c(c1)[C@]1(C[C@@H]1C[NH3+])CCO2 ZINC000218686656 175215073 /nfs/dbraw/zinc/21/50/73/175215073.db2.gz QMZABYYYCUVKLH-RNCFNFMXSA-N 1 0 219.284 1.694 40 0 BDABRO COc1ccc2c(c1)[C@]1(CC2)COCC[NH2+]1 ZINC000306146028 175216965 /nfs/dbraw/zinc/21/69/65/175216965.db2.gz ZSZUPKYTZLCNET-ZDUSSCGKSA-N 1 0 219.284 1.457 40 0 BDABRO COc1cccc(CC2([NH3+])CCOCC2)c1 ZINC000016718896 175250815 /nfs/dbraw/zinc/25/08/15/175250815.db2.gz AXLKDEIHCXIRPK-UHFFFAOYSA-N 1 0 221.300 1.746 40 0 BDABRO COc1cccc(N[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000218876179 175280089 /nfs/dbraw/zinc/28/00/89/175280089.db2.gz PIYNVKHKNJOAOO-RYUDHWBXSA-N 1 0 206.289 1.987 40 0 BDABRO COc1cccc([C@@H]2CN(C)C[C@@H]2[NH3+])c1 ZINC000217661941 175290741 /nfs/dbraw/zinc/29/07/41/175290741.db2.gz CVUZDGAQAXALIR-RYUDHWBXSA-N 1 0 206.289 1.052 40 0 BDABRO COc1cccc2c1COC21CC[NH2+]CC1 ZINC000096029480 175303381 /nfs/dbraw/zinc/30/33/81/175303381.db2.gz ZLUBOCUXKCJZRR-UHFFFAOYSA-N 1 0 219.284 1.804 40 0 BDABRO COc1ccccc1CN1CC[C@@H]([NH3+])C1 ZINC000037241068 175327016 /nfs/dbraw/zinc/32/70/16/175327016.db2.gz MBAGLGVPJNVVJH-LLVKDONJSA-N 1 0 206.289 1.228 40 0 BDABRO COc1ccccc1Cn1cnc(C[NH3+])c1 ZINC000071520055 175334489 /nfs/dbraw/zinc/33/44/89/175334489.db2.gz UHBTWTHLKLYDLY-UHFFFAOYSA-N 1 0 217.272 1.399 40 0 BDABRO COc1ccccc1[C@H]1CN(C)C[C@H]1[NH3+] ZINC000082378579 175355300 /nfs/dbraw/zinc/35/53/00/175355300.db2.gz RBSOSCGVVTWKBK-GHMZBOCLSA-N 1 0 206.289 1.052 40 0 BDABRO COc1ccccc1[C@H]1C[N@H+](C)C[C@@H]1CO ZINC000217673545 175355323 /nfs/dbraw/zinc/35/53/23/175355323.db2.gz QUNRHFORAMKQMF-PWSUYJOCSA-N 1 0 221.300 1.333 40 0 BDABRO C[C@@H]([C@H](O)c1ccccc1)[N@H+](C)CCO ZINC000000519100 176011968 /nfs/dbraw/zinc/01/19/68/176011968.db2.gz DZUDAROQGILUTD-JQWIXIFHSA-N 1 0 209.289 1.033 40 0 BDABRO C[C@@H]1CC(C)(C)[NH2+][C@@H]([C@@H]2CCC=CO2)N1 ZINC000019325706 176052807 /nfs/dbraw/zinc/05/28/07/176052807.db2.gz HDKKTOGRZBBVBD-VWYCJHECSA-N 1 0 210.321 1.755 40 0 BDABRO C[C@@H]1CN(CC(=O)c2cccs2)CC[NH2+]1 ZINC000079438638 176284810 /nfs/dbraw/zinc/28/48/10/176284810.db2.gz FODMAGIWGCNIJD-SECBINFHSA-N 1 0 224.329 1.225 40 0 BDABRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000039084846 176371253 /nfs/dbraw/zinc/37/12/53/176371253.db2.gz RDMVVTNPIKHJHP-HTQZYQBOSA-N 1 0 200.282 1.343 40 0 BDABRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[NH2+]1 ZINC000138165522 176374026 /nfs/dbraw/zinc/37/40/26/176374026.db2.gz HBFRNKXGNAOUDC-HTQZYQBOSA-N 1 0 200.282 1.262 40 0 BDABRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH3+] ZINC000037497109 177033733 /nfs/dbraw/zinc/03/37/33/177033733.db2.gz XDICKIMLZKPPHP-MRVPVSSYSA-N 1 0 210.252 1.304 40 0 BDABRO C[C@H](c1cnccn1)[N@@H+]1CCCC[C@@H]1CO ZINC000072203883 177051072 /nfs/dbraw/zinc/05/10/72/177051072.db2.gz FSSCFFPPZZZSSI-GHMZBOCLSA-N 1 0 221.304 1.384 40 0 BDABRO C[C@H](c1nccs1)N1CCC([NH3+])CC1 ZINC000043220352 177054634 /nfs/dbraw/zinc/05/46/34/177054634.db2.gz MADQHCCOMNNOEM-MRVPVSSYSA-N 1 0 211.334 1.627 40 0 BDABRO C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290437 177072218 /nfs/dbraw/zinc/07/22/18/177072218.db2.gz SBZHKAOVUMLDKW-RYUDHWBXSA-N 1 0 224.348 1.777 40 0 BDABRO C[C@H]1CCC[C@H](C)[NH+]1CCS(C)(=O)=O ZINC000001662147 177131479 /nfs/dbraw/zinc/13/14/79/177131479.db2.gz QDDWZQDPYLIPRD-UWVGGRQHSA-N 1 0 219.350 1.294 40 0 BDABRO C[C@H]1CN(C(=O)C2CCCCC2)CC[NH2+]1 ZINC000062570291 177213156 /nfs/dbraw/zinc/21/31/56/177213156.db2.gz IJPAPOJGMLRQDT-JTQLQIEISA-N 1 0 210.321 1.387 40 0 BDABRO C[C@H]1CN(C(=O)CCc2ccccc2)CC[NH2+]1 ZINC000062615346 177215560 /nfs/dbraw/zinc/21/55/60/177215560.db2.gz QOUXHIIZYIRPPH-LBPRGKRZSA-N 1 0 232.327 1.440 40 0 BDABRO C[C@H]1CN(C(=O)c2ccccc2F)CC[NH2+]1 ZINC000062611005 177228007 /nfs/dbraw/zinc/22/80/07/177228007.db2.gz JMPHPVAUNKWEBF-VIFPVBQESA-N 1 0 222.263 1.260 40 0 BDABRO C[C@H]1C[NH2+]CCN1C/C=C/c1ccccc1 ZINC000054371987 177284126 /nfs/dbraw/zinc/28/41/26/177284126.db2.gz VLQWQIOKDHGDGO-LJLILKBBSA-N 1 0 216.328 1.994 40 0 BDABRO O=C1N(Cc2ccccc2)C[C@]12CCC[NH2+]2 ZINC000214468731 487962561 /nfs/dbraw/zinc/96/25/61/487962561.db2.gz JNKKPGSCKHEUKI-CYBMUJFWSA-N 1 0 216.284 1.151 40 0 BDABRO CC(C)(C)OC(=O)N1[C@@H](C[NH3+])COC1(C)C ZINC000072208927 488058930 /nfs/dbraw/zinc/05/89/30/488058930.db2.gz PCVMBAOWKUKBRU-QMMMGPOBSA-N 1 0 230.308 1.317 40 0 BDABRO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@H]1CF ZINC000088343827 518839729 /nfs/dbraw/zinc/83/97/29/518839729.db2.gz ZXGCINTUKGZONR-SFYZADRCSA-N 1 0 218.272 1.069 40 0 BDABRO Cc1ccccc1Cc1cn(C)c(N)[nH+]1 ZINC000199550772 525202495 /nfs/dbraw/zinc/20/24/95/525202495.db2.gz STEVOXTVMZTLOJ-UHFFFAOYSA-N 1 0 201.273 1.902 40 0 BDABRO Cc1cc[nH+]c(N(C)N)c1Br ZINC000199542583 525664952 /nfs/dbraw/zinc/66/49/52/525664952.db2.gz XEIBMWRVFZUOQG-UHFFFAOYSA-N 1 0 216.082 1.462 40 0 BDABRO [NH3+]Cc1ccnc(I)c1 ZINC000228962168 527261498 /nfs/dbraw/zinc/26/14/98/527261498.db2.gz QHHAZAGCYQBBAW-UHFFFAOYSA-N 1 0 234.040 1.145 40 0 BDABRO CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000070928725 535747137 /nfs/dbraw/zinc/74/71/37/535747137.db2.gz ZBODWGAANATFAV-UHFFFAOYSA-N 1 0 208.280 1.968 40 0 BDABRO COC(=O)Cc1ccc(N2CCC([NH3+])CC2)cc1 ZINC000039321098 536364533 /nfs/dbraw/zinc/36/45/33/536364533.db2.gz GMIIYJHJOQYBFB-UHFFFAOYSA-N 1 0 248.326 1.330 40 0 BDABRO C[NH2+][C@@H]1CCCN(c2nc(C)cc(Cl)n2)C1 ZINC000072203748 536365817 /nfs/dbraw/zinc/36/58/17/536365817.db2.gz QOZZNROSMTVLFV-SECBINFHSA-N 1 0 240.738 1.627 40 0 BDABRO C[NH+]1CCN(c2cc(Cl)ccn2)CC1 ZINC000019872666 536419499 /nfs/dbraw/zinc/41/94/99/536419499.db2.gz BBDHKWCMWGAMJC-UHFFFAOYSA-N 1 0 211.696 1.487 40 0 BDABRO O=C1c2ccccc2C(=O)N1C1CCC[NH2+]C1 ZINC001560406734 991469588 /nfs/dbraw/zinc/46/95/88/991469588.db2.gz PIRFIIGRKUYGKG-UHFFFAOYSA-N 1 0 229.259 1.198 40 0 BDABRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CC2)c1 ZINC000033465456 177912786 /nfs/dbraw/zinc/91/27/86/177912786.db2.gz OHEVEUHLWQXBHG-CYBMUJFWSA-N 1 0 235.327 1.795 40 0 BDABRO Cc1cc(C[NH2+]CCCOC(C)C)n(C)n1 ZINC000256053754 178021081 /nfs/dbraw/zinc/02/10/81/178021081.db2.gz SRSRRYRJLGDMMW-UHFFFAOYSA-N 1 0 225.336 1.633 40 0 BDABRO Cn1ccnc1-c1cnc(C[C@@H]2CC[NH2+]C2)cn1 ZINC000257318363 187330850 /nfs/dbraw/zinc/33/08/50/187330850.db2.gz VNOXNQMWKYYZAO-JTQLQIEISA-N 1 0 243.314 1.029 40 0 BDABRO CN(C)c1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000072212642 259317366 /nfs/dbraw/zinc/31/73/66/259317366.db2.gz FXBBKSOZPBZVQY-NSHDSACASA-N 1 0 205.305 1.914 40 0 BDABRO CCN(CC)C(=O)C1CC[NH+](CC)CC1 ZINC000001675084 342708147 /nfs/dbraw/zinc/70/81/47/342708147.db2.gz HIUHBANTXPXXBS-UHFFFAOYSA-N 1 0 212.337 1.587 40 0 BDABRO O=C1N(Cc2ccccc2)CCC12CC[NH2+]CC2 ZINC000002391740 342719697 /nfs/dbraw/zinc/71/96/97/342719697.db2.gz CWYHIOCPEQJPFR-UHFFFAOYSA-N 1 0 244.338 1.789 40 0 BDABRO CCCCn1cc([C@@H](C)OCC[NH3+])cn1 ZINC000072219929 259318742 /nfs/dbraw/zinc/31/87/42/259318742.db2.gz YGWAZLKYRRUDQO-SNVBAGLBSA-N 1 0 211.309 1.720 40 0 BDABRO CCCCn1cc([C@H](C)OCC[NH3+])cn1 ZINC000072219930 259318823 /nfs/dbraw/zinc/31/88/23/259318823.db2.gz YGWAZLKYRRUDQO-JTQLQIEISA-N 1 0 211.309 1.720 40 0 BDABRO Cc1cc(C[NH3+])cnc1N1CCCCC1 ZINC000072222453 259320255 /nfs/dbraw/zinc/32/02/55/259320255.db2.gz LTTDRHKUBUPCJH-UHFFFAOYSA-N 1 0 205.305 1.839 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000008699266 342802264 /nfs/dbraw/zinc/80/22/64/342802264.db2.gz ZACOZGRAXFFGLR-WDEREUQCSA-N 1 0 239.702 1.816 40 0 BDABRO CCOc1ccccc1CNCCC[NH2+]C ZINC000008325588 342798014 /nfs/dbraw/zinc/79/80/14/342798014.db2.gz MQWLPAHBDUVXRF-UHFFFAOYSA-N 1 0 222.332 1.784 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nc2cccnc2n1C ZINC000075854272 259322907 /nfs/dbraw/zinc/32/29/07/259322907.db2.gz LRPRBPDQVDRYBR-SECBINFHSA-N 1 0 204.277 1.624 40 0 BDABRO Cc1c(C[NH3+])nnn1Cc1cccc(F)c1 ZINC000062317602 398301223 /nfs/dbraw/zinc/30/12/23/398301223.db2.gz NHEWBJDTKYLITC-UHFFFAOYSA-N 1 0 220.251 1.233 40 0 BDABRO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]CC[C@@H]1F ZINC000219626362 342881271 /nfs/dbraw/zinc/88/12/71/342881271.db2.gz KMTQQQXYBFJDEP-DTWKUNHWSA-N 1 0 232.299 1.601 40 0 BDABRO CCOC[C@@H]1C[N@H+](CC2CC2)Cc2cn(C)nc21 ZINC000096059848 398312354 /nfs/dbraw/zinc/31/23/54/398312354.db2.gz DBQLZFFUHHPVPM-ZDUSSCGKSA-N 1 0 249.358 1.766 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000016082893 342905800 /nfs/dbraw/zinc/90/58/00/342905800.db2.gz ZACOZGRAXFFGLR-GHMZBOCLSA-N 1 0 239.702 1.816 40 0 BDABRO CS(=O)(=O)[C@@H]1[C@@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000218420932 398327670 /nfs/dbraw/zinc/32/76/70/398327670.db2.gz UGVPEMRDHWBYLJ-GUBZILKMSA-N 1 0 245.731 1.178 40 0 BDABRO OCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000020044266 342966984 /nfs/dbraw/zinc/96/69/84/342966984.db2.gz DNYNHDFVNVLJLF-UHFFFAOYSA-N 1 0 219.206 1.787 40 0 BDABRO CCN(Cc1ccncc1)C[C@@H]1CCC[NH2+]1 ZINC000042516885 262913079 /nfs/dbraw/zinc/91/30/79/262913079.db2.gz HWSDVZGNPMYQIJ-ZDUSSCGKSA-N 1 0 219.332 1.656 40 0 BDABRO COC(=O)[C@@H](C)C[NH2+]Cc1ccccc1OC ZINC000035133618 343286074 /nfs/dbraw/zinc/28/60/74/343286074.db2.gz GZDXTCZEQXKDHF-JTQLQIEISA-N 1 0 237.299 1.594 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cccnc1)C(C)C ZINC000037822182 343313561 /nfs/dbraw/zinc/31/35/61/343313561.db2.gz DFMXRMMMHGWIGG-ZDUSSCGKSA-N 1 0 249.358 1.802 40 0 BDABRO C[C@@H](NC(=O)[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000038092784 343316641 /nfs/dbraw/zinc/31/66/41/343316641.db2.gz OLUXNBVXNWJBQB-JGVFFNPUSA-N 1 0 226.707 1.864 40 0 BDABRO CCc1ccc(OC[C@@H](O)C[NH2+]C2CC2)cc1 ZINC000033465445 187256423 /nfs/dbraw/zinc/25/64/23/187256423.db2.gz XWLISOBDWQSHQO-ZDUSSCGKSA-N 1 0 235.327 1.741 40 0 BDABRO Cc1ccc(NC[C@H]2CCC[NH2+]C2)nc1 ZINC000044503047 343504364 /nfs/dbraw/zinc/50/43/64/343504364.db2.gz OMSRMQRNAHADTC-NSHDSACASA-N 1 0 205.305 1.802 40 0 BDABRO COC(=O)C[C@@H](C)[NH2+]CCCOC(C)C ZINC000047219199 343559831 /nfs/dbraw/zinc/55/98/31/343559831.db2.gz RBHQYDSVMSQXMM-SNVBAGLBSA-N 1 0 217.309 1.343 40 0 BDABRO CC(C)(C)OC(=O)N1C[Si](C)(C)C[C@H]1C[NH3+] ZINC000584905906 343605341 /nfs/dbraw/zinc/60/53/41/343605341.db2.gz YKBUGEMRVHYICE-SECBINFHSA-N 1 0 244.411 1.812 40 0 BDABRO CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374497 187269413 /nfs/dbraw/zinc/26/94/13/187269413.db2.gz VOWWJPPOIFQHLB-UHFFFAOYSA-N 1 0 232.327 1.919 40 0 BDABRO [NH3+]Cc1c(=O)[nH]cc2c1CCCCCC2 ZINC000253536478 349854453 /nfs/dbraw/zinc/85/44/53/349854453.db2.gz SEHPMNDYNACXKE-UHFFFAOYSA-N 1 0 206.289 1.905 40 0 BDABRO C[C@H]1CCc2nnc(N3CC[C@H]([NH3+])C3)cc2C1 ZINC000096530200 343761394 /nfs/dbraw/zinc/76/13/94/343761394.db2.gz XNNZPBZAFMQZCC-ONGXEEELSA-N 1 0 232.331 1.139 40 0 BDABRO CN(C)c1ccc([C@@H]2C[NH2+]C[C@H]2CO)cc1 ZINC000396806267 343810956 /nfs/dbraw/zinc/81/09/56/343810956.db2.gz FWCOBNPVVOGNSG-AAEUAGOBSA-N 1 0 220.316 1.048 40 0 BDABRO C[NH2+]CCCc1cnn(C[C@@H]2CCOC2)c1 ZINC000575623423 343876114 /nfs/dbraw/zinc/87/61/14/343876114.db2.gz QIKMZIJKQJGHDD-LBPRGKRZSA-N 1 0 223.320 1.072 40 0 BDABRO c1nn(C[C@@H]2CCCOC2)cc1C1CC[NH2+]CC1 ZINC000575623539 343876864 /nfs/dbraw/zinc/87/68/64/343876864.db2.gz YPDWYJBIMFRNDJ-LBPRGKRZSA-N 1 0 249.358 1.777 40 0 BDABRO C[C@H](CC[NH3+])n1nc(C(C)(C)C)ccc1=O ZINC000575622407 343869790 /nfs/dbraw/zinc/86/97/90/343869790.db2.gz LAILXYPFCMNRPM-SECBINFHSA-N 1 0 223.320 1.451 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@]2(CN(C(C)C)C2=O)C1 ZINC000585099284 344132091 /nfs/dbraw/zinc/13/20/91/344132091.db2.gz BCUIAMQGQDLEBM-CQSZACIVSA-N 1 0 238.375 1.975 40 0 BDABRO C(c1noc([C@H]2CCCO2)n1)C1CC[NH2+]CC1 ZINC000096511480 187288769 /nfs/dbraw/zinc/28/87/69/187288769.db2.gz KBVXYGACUDEBFW-SNVBAGLBSA-N 1 0 237.303 1.463 40 0 BDABRO CCCn1cccc([C@H]2CCC[NH2+]2)c1=O ZINC000096510363 187289230 /nfs/dbraw/zinc/28/92/30/187289230.db2.gz GWKLBOOAGSLXNH-LLVKDONJSA-N 1 0 206.289 1.683 40 0 BDABRO Cn1ccnc1-c1nccnc1C[C@@H]1CC[NH2+]C1 ZINC000585178894 344276178 /nfs/dbraw/zinc/27/61/78/344276178.db2.gz HLZKMUAPZWHUAR-JTQLQIEISA-N 1 0 243.314 1.029 40 0 BDABRO Cc1n[nH]cc1-c1cnc(C[C@H]2CC[NH2+]C2)cn1 ZINC000585180233 344276636 /nfs/dbraw/zinc/27/66/36/344276636.db2.gz ZYTDWILZFYFOHY-SNVBAGLBSA-N 1 0 243.314 1.327 40 0 BDABRO CC(C)CNC(=O)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000096054172 344366029 /nfs/dbraw/zinc/36/60/29/344366029.db2.gz RPXOGKWGEUUZLN-WDEREUQCSA-N 1 0 225.336 1.036 40 0 BDABRO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)OC(C)(C)C ZINC000084237632 344367072 /nfs/dbraw/zinc/36/70/72/344367072.db2.gz XNAMFDCOLGVSON-UWVGGRQHSA-N 1 0 228.336 1.981 40 0 BDABRO CNc1nc([C@@H]2CCC[NH2+]2)cn2cccc12 ZINC000205689173 345181094 /nfs/dbraw/zinc/18/10/94/345181094.db2.gz SHZCJJVFMXHZCR-VIFPVBQESA-N 1 0 216.288 1.801 40 0 BDABRO CCOc1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC000001346210 346205306 /nfs/dbraw/zinc/20/53/06/346205306.db2.gz OANLMFBPQNBRKC-UHFFFAOYSA-N 1 0 248.326 1.567 40 0 BDABRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCCCCC1 ZINC000004969128 346258088 /nfs/dbraw/zinc/25/80/88/346258088.db2.gz SMSXKIWDXMLHJU-LBPRGKRZSA-N 1 0 240.347 1.158 40 0 BDABRO OCC[NH2+]Cc1ccc(O)c2ncccc12 ZINC000218892090 187319116 /nfs/dbraw/zinc/31/91/16/187319116.db2.gz QVVFSKYAXXHYDU-UHFFFAOYSA-N 1 0 218.256 1.022 40 0 BDABRO Cc1cccc(C)c1OC[C@H]1C[NH2+]CCO1 ZINC000011587398 179047535 /nfs/dbraw/zinc/04/75/35/179047535.db2.gz MHGJAFTWCSIQBM-GFCCVEGCSA-N 1 0 221.300 1.671 40 0 BDABRO Cc1cccc(CCN2CC[NH2+]CC2)c1 ZINC000041213173 179056927 /nfs/dbraw/zinc/05/69/27/179056927.db2.gz WWANRDDBKXSVFJ-UHFFFAOYSA-N 1 0 204.317 1.443 40 0 BDABRO Cc1cccc(CN2CC[C@]3(CC[NH2+]C3)C2=O)c1 ZINC000306138244 179081339 /nfs/dbraw/zinc/08/13/39/179081339.db2.gz RTERYOZKBCSMMW-HNNXBMFYSA-N 1 0 244.338 1.707 40 0 BDABRO CC[C@H](C)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000054472901 347102579 /nfs/dbraw/zinc/10/25/79/347102579.db2.gz SOWWQDYNXSVQGB-UWVGGRQHSA-N 1 0 200.326 1.522 40 0 BDABRO CC[C@@H](C)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000054472898 347103124 /nfs/dbraw/zinc/10/31/24/347103124.db2.gz SOWWQDYNXSVQGB-ZJUUUORDSA-N 1 0 200.326 1.522 40 0 BDABRO C[C@@H](O)C[C@H]1CCC[C@@H](C[C@H](C)O)[NH2+]1 ZINC000005083189 346609561 /nfs/dbraw/zinc/60/95/61/346609561.db2.gz RLVDVFLJEJAKEW-DTIDVZRVSA-N 1 0 201.310 1.039 40 0 BDABRO Cc1cccc(OC[C@@H](O)C[NH+](C)C)c1C ZINC000026802574 179170472 /nfs/dbraw/zinc/17/04/72/179170472.db2.gz JCQGSSBEBGNYEX-LBPRGKRZSA-N 1 0 223.316 1.605 40 0 BDABRO Cc1cccc([C@@H]2CCCN(C(=O)C[NH3+])C2)n1 ZINC000072383392 179189307 /nfs/dbraw/zinc/18/93/07/179189307.db2.gz QDAVSWBEVQNBLZ-LLVKDONJSA-N 1 0 233.315 1.055 40 0 BDABRO C[C@H]1[NH2+]CC=CC[C@H]1C(=O)N1CCCCC1 ZINC000019462289 347230019 /nfs/dbraw/zinc/23/00/19/347230019.db2.gz BPVZHDDIKNHAQP-VXGBXAGGSA-N 1 0 222.332 1.553 40 0 BDABRO O=C(C[NH2+]Cc1cccnc1)Nc1ccccc1 ZINC000019992111 347386055 /nfs/dbraw/zinc/38/60/55/347386055.db2.gz ZRYZBZFZXOOYLJ-UHFFFAOYSA-N 1 0 241.294 1.810 40 0 BDABRO CCCC[C@@H](CC)C(=O)N1CC[NH2+]CC1 ZINC000020481606 347518320 /nfs/dbraw/zinc/51/83/20/347518320.db2.gz GATHXBFJVRUGRD-LLVKDONJSA-N 1 0 212.337 1.635 40 0 BDABRO Cc1ccccc1[C@H]([NH3+])[C@@H](C)S(C)(=O)=O ZINC000096524791 179343611 /nfs/dbraw/zinc/34/36/11/179343611.db2.gz SUJCGQFFOZYVNE-MWLCHTKSSA-N 1 0 227.329 1.428 40 0 BDABRO Cc1ccccc1[C@H]([NH3+])[C@H](C)S(C)(=O)=O ZINC000096524793 179344140 /nfs/dbraw/zinc/34/41/40/179344140.db2.gz SUJCGQFFOZYVNE-GXSJLCMTSA-N 1 0 227.329 1.428 40 0 BDABRO Cc1n[nH]cc1-c1cncc(C[C@@H]2CC[NH2+]C2)n1 ZINC000205694082 348576000 /nfs/dbraw/zinc/57/60/00/348576000.db2.gz UQWOZVVFXXNAJW-JTQLQIEISA-N 1 0 243.314 1.327 40 0 BDABRO Cc1nc([C@@H]2CCC[NH2+]2)cc(N2CCOC2=O)n1 ZINC000205695359 348576056 /nfs/dbraw/zinc/57/60/56/348576056.db2.gz KNWLAILGUZMBNS-VIFPVBQESA-N 1 0 248.286 1.166 40 0 BDABRO Cc1nc(C2CC[NH2+]CC2)sc1C(N)=O ZINC000328579696 179926807 /nfs/dbraw/zinc/92/68/07/179926807.db2.gz WZECRHDYYRGQGH-UHFFFAOYSA-N 1 0 225.317 1.802 40 0 BDABRO C[C@H]1[C@@H]2C[NH2+]C[C@@H](C2)CN1C(=O)OC(C)(C)C ZINC000109324994 490270249 /nfs/dbraw/zinc/27/02/49/490270249.db2.gz CSHNBDVNMQPTLV-AXFHLTTASA-N 1 0 240.347 1.851 40 0 BDABRO Cc1ncc([C@H](C[NH3+])N2CCCCCC2)cn1 ZINC000096511157 180173548 /nfs/dbraw/zinc/17/35/48/180173548.db2.gz CKCHUNQZNUQXDU-ZDUSSCGKSA-N 1 0 234.347 1.661 40 0 BDABRO Cc1ncc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)cn1 ZINC000257240359 180146633 /nfs/dbraw/zinc/14/66/33/180146633.db2.gz HTCNBLDDFNVIRA-LBPRGKRZSA-N 1 0 243.314 1.498 40 0 BDABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)COC ZINC000222978800 350257507 /nfs/dbraw/zinc/25/75/07/350257507.db2.gz WEFGVHATJIWALR-GFCCVEGCSA-N 1 0 242.363 1.404 40 0 BDABRO Cc1nn(C)cc1CN(C)C[C@H]1CCC[NH2+]C1 ZINC000096523673 180373941 /nfs/dbraw/zinc/37/39/41/180373941.db2.gz RYKCPIYCAVLYOD-LBPRGKRZSA-N 1 0 236.363 1.160 40 0 BDABRO Cn1cc(C[NH2+]Cc2cccc(O)c2)cn1 ZINC000020352527 180649691 /nfs/dbraw/zinc/64/96/91/180649691.db2.gz LOFAEBOQLAXBJR-UHFFFAOYSA-N 1 0 217.272 1.416 40 0 BDABRO [NH3+][C@@H](CO)Cc1ccc(Br)cc1 ZINC000020268092 363183553 /nfs/dbraw/zinc/18/35/53/363183553.db2.gz PDIQXFYHTBMZHQ-SECBINFHSA-N 1 0 230.105 1.311 40 0 BDABRO CCN(CC1C[NH2+]C1)C(=O)OC(C)(C)C ZINC000199726683 363186563 /nfs/dbraw/zinc/18/65/63/363186563.db2.gz CJSMMWNLSKFGJL-UHFFFAOYSA-N 1 0 214.309 1.463 40 0 BDABRO CC(C)N(CC[NH3+])CC(=O)c1ccco1 ZINC000079436038 187944581 /nfs/dbraw/zinc/94/45/81/187944581.db2.gz PHUVOPWVOIGAHA-UHFFFAOYSA-N 1 0 210.277 1.131 40 0 BDABRO CC(=O)n1cc(CC[NH3+])c2cc(O)ccc21 ZINC000001598249 188007254 /nfs/dbraw/zinc/00/72/54/188007254.db2.gz AZRQSPSPOGVDRQ-UHFFFAOYSA-N 1 0 218.256 1.508 40 0 in-vitro BDABRO Cc1cnc(NC(=O)[C@H]([NH3+])C(C)C)s1 ZINC000019435028 355210783 /nfs/dbraw/zinc/21/07/83/355210783.db2.gz PBGIZPSZAFRNPN-SSDOTTSWSA-N 1 0 213.306 1.373 40 0 BDABRO NC(=[NH2+])COc1ccc(OC(F)(F)F)cc1 ZINC000075881291 181186360 /nfs/dbraw/zinc/18/63/60/181186360.db2.gz CNTBBNGPNIIDRV-UHFFFAOYSA-N 1 0 234.177 1.900 40 0 BDABRO NC(=O)[C@@]1(CCCc2ccccn2)CCCC[NH2+]1 ZINC000072344191 181275073 /nfs/dbraw/zinc/27/50/73/181275073.db2.gz PJUIQAJXEKWYRW-AWEZNQCLSA-N 1 0 247.342 1.402 40 0 BDABRO NC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000037460217 181276676 /nfs/dbraw/zinc/27/66/76/181276676.db2.gz SYUMSYFGKUVKCP-SSDOTTSWSA-N 1 0 218.178 1.191 40 0 BDABRO NC(=O)[C@]1(CCCc2ccccn2)CCCC[NH2+]1 ZINC000072344192 181284991 /nfs/dbraw/zinc/28/49/91/181284991.db2.gz PJUIQAJXEKWYRW-CQSZACIVSA-N 1 0 247.342 1.402 40 0 BDABRO Cn1nc(C[NH+](C)C)c(-c2ccccc2F)c1N ZINC000026511946 357164043 /nfs/dbraw/zinc/16/40/43/357164043.db2.gz AVIFGGIKGNTPQF-UHFFFAOYSA-N 1 0 248.305 1.870 40 0 BDABRO CCOc1ccc([C@@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC000396932589 359884615 /nfs/dbraw/zinc/88/46/15/359884615.db2.gz YTYRNRUFRJALTM-YPMHNXCESA-N 1 0 221.300 1.381 40 0 BDABRO [NH3+]C1(Cc2ccccc2F)CCOCC1 ZINC000016771344 181331737 /nfs/dbraw/zinc/33/17/37/181331737.db2.gz QKOYCZUJOQFUCJ-UHFFFAOYSA-N 1 0 209.264 1.876 40 0 BDABRO [NH3+]C1(Cc2ccccc2)CCS(=O)(=O)CC1 ZINC000098213569 181332949 /nfs/dbraw/zinc/33/29/49/181332949.db2.gz WASLTJIBCQPDCO-UHFFFAOYSA-N 1 0 239.340 1.135 40 0 BDABRO [NH2+]=C1NCc2c3c(sc2N1)CCCC3 ZINC000005847279 181338734 /nfs/dbraw/zinc/33/87/34/181338734.db2.gz FTEAYADMPFNPKQ-UHFFFAOYSA-N 1 0 207.302 1.867 40 0 BDABRO [NH2+]=C1NCCN1c1cccc2ccccc21 ZINC000008628665 181339513 /nfs/dbraw/zinc/33/95/13/181339513.db2.gz IZBBZZGIVOUMSG-UHFFFAOYSA-N 1 0 211.268 1.975 40 0 BDABRO [NH3+]CC(=O)N(Cc1ccccc1F)C1CC1 ZINC000032014164 181348003 /nfs/dbraw/zinc/34/80/03/181348003.db2.gz DCSNEWVNBUELIB-UHFFFAOYSA-N 1 0 222.263 1.275 40 0 BDABRO [NH3+]CC(=O)N(Cc1cccc(Cl)c1)C1CC1 ZINC000032090341 181348666 /nfs/dbraw/zinc/34/86/66/181348666.db2.gz NTWHERMEKLJGDZ-UHFFFAOYSA-N 1 0 238.718 1.790 40 0 BDABRO CC[C@@H]([NH3+])COCc1ccccc1OC ZINC000074530255 541322553 /nfs/dbraw/zinc/32/25/53/541322553.db2.gz IINZYKIHGSISKA-LLVKDONJSA-N 1 0 209.289 1.949 40 0 BDABRO [NH3+][C@H]1C[C@@H]1c1cnc(Br)s1 ZINC000224931966 363987206 /nfs/dbraw/zinc/98/72/06/363987206.db2.gz ZRHCYSZEBJVJGK-IMJSIDKUSA-N 1 0 219.107 1.720 40 0 BDABRO [NH3+]CCN1CCCC[C@H]1c1cccnc1 ZINC000095097556 181391831 /nfs/dbraw/zinc/39/18/31/181391831.db2.gz GFSVKDOYAMYRHF-LBPRGKRZSA-N 1 0 205.305 1.567 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@H]2[NH3+] ZINC000110915335 368340015 /nfs/dbraw/zinc/34/00/15/368340015.db2.gz BYWZUQBXSAUYII-SKDRFNHKSA-N 1 0 242.319 1.114 40 0 BDABRO c1cnc(C[C@H]2COC3(C2)CC[NH2+]CC3)cn1 ZINC000205674708 368357120 /nfs/dbraw/zinc/35/71/20/368357120.db2.gz XVPCQYXQAIGZRT-LLVKDONJSA-N 1 0 233.315 1.178 40 0 BDABRO O=C1O[C@@]2(CC[NH2+]C2)CN1c1ccc(F)cc1 ZINC000205674532 368357201 /nfs/dbraw/zinc/35/72/01/368357201.db2.gz DGVCDRKOJCPGAE-GFCCVEGCSA-N 1 0 236.246 1.514 40 0 BDABRO c1cncc(C[C@H]2COC3(C2)CC[NH2+]CC3)c1 ZINC000205674787 368357226 /nfs/dbraw/zinc/35/72/26/368357226.db2.gz JTXNKDDSRGTVCV-CYBMUJFWSA-N 1 0 232.327 1.783 40 0 BDABRO CC(C)[N@@H+]1CC[C@H](c2cc(CCO)on2)C1 ZINC000205701182 368359666 /nfs/dbraw/zinc/35/96/66/368359666.db2.gz OWMWJHWZIGYGAT-JTQLQIEISA-N 1 0 224.304 1.407 40 0 BDABRO Cn1nc(C2CC[NH+](C)CC2)c2cccnc21 ZINC000205701105 368360233 /nfs/dbraw/zinc/36/02/33/368360233.db2.gz FKUJIRUWGVJACT-UHFFFAOYSA-N 1 0 230.315 1.778 40 0 BDABRO [NH3+]C[C@H](O)CSCc1ccc(Cl)cc1 ZINC000001615379 181448755 /nfs/dbraw/zinc/44/87/55/181448755.db2.gz LENRNEIYYCBCBL-JTQLQIEISA-N 1 0 231.748 1.893 40 0 in-vitro BDABRO c1cncc(C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000205697069 369996651 /nfs/dbraw/zinc/99/66/51/369996651.db2.gz UPQPRQBJCVILDJ-ZDUSSCGKSA-N 1 0 232.327 1.783 40 0 BDABRO CC(C)(C)[NH2+][C@@H]1CCN(c2ccc(N)cn2)C1 ZINC000256050805 370634841 /nfs/dbraw/zinc/63/48/41/370634841.db2.gz GOZDQSVYOYNNRW-LLVKDONJSA-N 1 0 234.347 1.631 40 0 BDABRO O=C1CC[C@H](C(F)(F)F)N1[C@@H]1CCC[NH2+]C1 ZINC000256049948 370634904 /nfs/dbraw/zinc/63/49/04/370634904.db2.gz CBMYTNNYRJITJI-HTQZYQBOSA-N 1 0 236.237 1.292 40 0 BDABRO [NH3+][C@H]1C[C@@H](C(F)(F)F)C[C@@H]2OCC[C@@H]21 ZINC000225763066 371574512 /nfs/dbraw/zinc/57/45/12/371574512.db2.gz JDVVYQROBUQBAO-NGJRWZKOSA-N 1 0 209.211 1.691 40 0 BDABRO C[N@H+]([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000003186782 371906454 /nfs/dbraw/zinc/90/64/54/371906454.db2.gz ZVWSPVSUNHWYMN-LLVKDONJSA-N 1 0 231.361 1.438 40 0 BDABRO Clc1ccc(NC[C@H]2CCC[NH2+]C2)nn1 ZINC000040434763 373261710 /nfs/dbraw/zinc/26/17/10/373261710.db2.gz OATJVNRNXINZTL-QMMMGPOBSA-N 1 0 226.711 1.542 40 0 BDABRO CCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096058564 168850036 /nfs/dbraw/zinc/85/00/36/168850036.db2.gz WMYLYQHXBKWJIV-MNOVXSKESA-N 1 0 225.336 1.322 40 0 BDABRO O=C(c1cnc([C@@H]2CCC[NH2+]2)cn1)N1CCCC1 ZINC000072387010 182697616 /nfs/dbraw/zinc/69/76/16/182697616.db2.gz MQODKPQDACRGFP-JTQLQIEISA-N 1 0 246.314 1.137 40 0 BDABRO O=C1NC2(CC[NH2+]CC2)Nc2cc(F)ccc21 ZINC000072221244 182796958 /nfs/dbraw/zinc/79/69/58/182796958.db2.gz WQYBJOZEFYRXBB-UHFFFAOYSA-N 1 0 235.262 1.061 40 0 BDABRO O=S(=O)(C[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000011897072 182890900 /nfs/dbraw/zinc/89/09/00/182890900.db2.gz HKISNMGYUGHWOS-SNVBAGLBSA-N 1 0 243.303 1.351 40 0 BDABRO O=c1cc2n(cc1O)[C@@H]1CCCC[C@@H]1[NH2+]C2 ZINC000040164031 182996836 /nfs/dbraw/zinc/99/68/36/182996836.db2.gz OYXZENZTYWZNNE-VHSXEESVSA-N 1 0 220.272 1.141 40 0 BDABRO O=c1ccc2c([nH]1)CC[C@@H]([NH2+]C1CCOCC1)C2 ZINC000096100538 183001081 /nfs/dbraw/zinc/00/10/81/183001081.db2.gz LYPFSJODUAHWQV-GFCCVEGCSA-N 1 0 248.326 1.001 40 0 BDABRO OCCOC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079390546 183086938 /nfs/dbraw/zinc/08/69/38/183086938.db2.gz QRSIIMZBNQMNLA-OAHLLOKOSA-N 1 0 249.354 1.908 40 0 BDABRO OCCc1cc([C@H]2CC[N@@H+](C3CCCC3)C2)[nH]n1 ZINC000257201835 183100035 /nfs/dbraw/zinc/10/00/35/183100035.db2.gz AJFBDKGDWAGGMS-NSHDSACASA-N 1 0 249.358 1.676 40 0 BDABRO O[C@H]1CC[N@H+](CC2CC2)[C@H]1Cc1ccncc1 ZINC000096061654 183237862 /nfs/dbraw/zinc/23/78/62/183237862.db2.gz VUAWWDKRKCRBQS-KBPBESRZSA-N 1 0 232.327 1.469 40 0 BDABRO O=C1CN(Cc2ccccc2Cl)N=[O+]1 ZINC000001684520 183255730 /nfs/dbraw/zinc/25/57/30/183255730.db2.gz QAGSWXOUQBIFTD-UHFFFAOYSA-O 1 0 211.628 1.369 40 0 BDABRO c1c2c(nn1CC1CC1)C[C@H]1CC[C@@H]2[NH2+]1 ZINC000096510247 183323840 /nfs/dbraw/zinc/32/38/40/183323840.db2.gz PJWQIDGDXDDCMB-KOLCDFICSA-N 1 0 203.289 1.642 40 0 BDABRO c1cc(-c2cncnc2)nc([C@H]2C[NH2+]CCO2)c1 ZINC000019695385 183328688 /nfs/dbraw/zinc/32/86/88/183328688.db2.gz URAVHAUJPAILCS-CYBMUJFWSA-N 1 0 242.282 1.200 40 0 BDABRO c1cc(COC[C@@]23CCC[C@@H]2C[NH2+]C3)ccn1 ZINC000306142130 183355210 /nfs/dbraw/zinc/35/52/10/183355210.db2.gz WQOGXVJPGNFZTA-KGLIPLIRSA-N 1 0 232.327 1.988 40 0 BDABRO c1cc(CNC2CC[NH2+]CC2)cc2c1OCO2 ZINC000038040656 183368629 /nfs/dbraw/zinc/36/86/29/183368629.db2.gz UMLDRXOHHCZZGP-UHFFFAOYSA-N 1 0 234.299 1.257 40 0 BDABRO c1nc([C@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000096524327 183387851 /nfs/dbraw/zinc/38/78/51/183387851.db2.gz JVQYLWYXJOZZLY-LLVKDONJSA-N 1 0 214.272 1.692 40 0 BDABRO CCC[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219039 169263570 /nfs/dbraw/zinc/26/35/70/169263570.db2.gz TVXIOFIPJAZFTL-VIFPVBQESA-N 1 0 201.310 1.964 40 0 BDABRO c1ccc(O[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000306124278 183422395 /nfs/dbraw/zinc/42/23/95/183422395.db2.gz BLLNFLDJCUZTAR-WCQYABFASA-N 1 0 234.299 1.372 40 0 BDABRO c1ccc2c(c1)ccnc2CN1CC[NH2+]CC1 ZINC000052861000 183437226 /nfs/dbraw/zinc/43/72/26/183437226.db2.gz UVHWYUZUFJLGBG-UHFFFAOYSA-N 1 0 227.311 1.640 40 0 BDABRO CCC[C@@H]([NH3+])CN(C)Cc1cn(C)nc1C ZINC000096523986 169393187 /nfs/dbraw/zinc/39/31/87/169393187.db2.gz JFKBDHVBUAIJST-GFCCVEGCSA-N 1 0 224.352 1.288 40 0 BDABRO CC(C)(C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000066339525 383858008 /nfs/dbraw/zinc/85/80/08/383858008.db2.gz HMDRWSSAAHEJNK-UHFFFAOYSA-N 1 0 212.337 1.620 40 0 BDABRO C[NH+](C)CCNC(=O)c1cc(Cl)ccn1 ZINC000036804682 383910773 /nfs/dbraw/zinc/91/07/73/383910773.db2.gz UQFURMJFOXLKLV-UHFFFAOYSA-N 1 0 227.695 1.026 40 0 BDABRO CCCC[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000001731653 383931875 /nfs/dbraw/zinc/93/18/75/383931875.db2.gz AYIQFLMDFJEPKW-NSHDSACASA-N 1 0 228.336 1.949 40 0 BDABRO [NH3+]Cc1ccc2c(Br)n[nH]c2c1 ZINC000089195976 383942411 /nfs/dbraw/zinc/94/24/11/383942411.db2.gz AMIUBFWDZLKGHR-UHFFFAOYSA-N 1 0 226.077 1.784 40 0 BDABRO CC(C)(C)OC(=O)NC[C@H](C[NH3+])C(F)(F)F ZINC000216590013 384013904 /nfs/dbraw/zinc/01/39/04/384013904.db2.gz IYVOWDZHVOJAMV-LURJTMIESA-N 1 0 242.241 1.648 40 0 BDABRO N[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000035677049 384089099 /nfs/dbraw/zinc/08/90/99/384089099.db2.gz GVWFYJNEJZYKID-MRVPVSSYSA-N 1 0 233.084 1.547 40 0 BDABRO [NH3+]C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000069978146 384070935 /nfs/dbraw/zinc/07/09/35/384070935.db2.gz GAGYLLOOOYKLMI-SSDOTTSWSA-N 1 0 210.664 1.792 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000091304615 384116969 /nfs/dbraw/zinc/11/69/69/384116969.db2.gz QOQQKPHJTZRKSK-ZACCUICWSA-N 1 0 240.347 1.981 40 0 BDABRO C[NH+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000005509011 384119367 /nfs/dbraw/zinc/11/93/67/384119367.db2.gz FLMRCMWDPRPBGI-QWHCGFSZSA-N 1 0 232.327 1.468 40 0 BDABRO CSc1nccc(N[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000079439878 384146757 /nfs/dbraw/zinc/14/67/57/384146757.db2.gz YYXYPLGLBMENEP-IUCAKERBSA-N 1 0 238.360 1.880 40 0 BDABRO Cc1ccsc1CN(C(=O)C[NH3+])C1CC1 ZINC000079436281 384146774 /nfs/dbraw/zinc/14/67/74/384146774.db2.gz WDGWXBFNMLXKBZ-UHFFFAOYSA-N 1 0 224.329 1.506 40 0 BDABRO CCOC(=O)C1=C(C)NC(=[NH2+])N[C@H]1c1ccco1 ZINC000408731762 384203388 /nfs/dbraw/zinc/20/33/88/384203388.db2.gz PPSYPLAWVKTTJO-JTQLQIEISA-N 1 0 249.270 1.285 40 0 BDABRO Fc1cc(F)cc(CN2CCC[NH2+]CC2)c1 ZINC000071978886 384191504 /nfs/dbraw/zinc/19/15/04/384191504.db2.gz ZLSWHHYCCGMYCU-UHFFFAOYSA-N 1 0 226.270 1.760 40 0 BDABRO CCOc1c(C[NH2+]C[C@@H](C)O)cccc1OC ZINC000008253472 384198070 /nfs/dbraw/zinc/19/80/70/384198070.db2.gz RTLMAEXWXWLUIE-SNVBAGLBSA-N 1 0 239.315 1.564 40 0 BDABRO Cc1cc(C)nc(CC2CC[NH2+]CC2)n1 ZINC000072187601 384198185 /nfs/dbraw/zinc/19/81/85/384198185.db2.gz RAALYYPRLYUKRJ-UHFFFAOYSA-N 1 0 205.305 1.636 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000008699278 384209678 /nfs/dbraw/zinc/20/96/78/384209678.db2.gz DHNONVNQXOJHJT-MNOVXSKESA-N 1 0 223.247 1.302 40 0 BDABRO Cc1cc(=O)cc([C@@H]2CN(C(C)C)CCO2)[nH]1 ZINC000072356980 384210228 /nfs/dbraw/zinc/21/02/28/384210228.db2.gz BVRFAIHUNVDXBR-ZDUSSCGKSA-N 1 0 236.315 1.465 40 0 BDABRO c1cnc([C@@H]2CCC[N@@H+]2C2CCOCC2)cn1 ZINC000072381932 384216543 /nfs/dbraw/zinc/21/65/43/384216543.db2.gz MZQJNDLGTHLJRK-ZDUSSCGKSA-N 1 0 233.315 1.793 40 0 BDABRO Cc1cc(-c2cncnc2C2CC[NH2+]CC2)on1 ZINC000072373567 384217296 /nfs/dbraw/zinc/21/72/96/384217296.db2.gz VCLOWINNYJUTQH-UHFFFAOYSA-N 1 0 244.298 1.907 40 0 BDABRO Cc1nc(C2C[NH+](C3CCCC3)C2)cc(=O)[nH]1 ZINC000072381175 384217663 /nfs/dbraw/zinc/21/76/63/384217663.db2.gz IBTNHYRBTDLGDY-UHFFFAOYSA-N 1 0 233.315 1.832 40 0 BDABRO Nc1nccc([C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000072383323 384219092 /nfs/dbraw/zinc/21/90/92/384219092.db2.gz ZABXUIGRLCJRIE-SNVBAGLBSA-N 1 0 218.304 1.258 40 0 BDABRO C[NH+]1CCC(CC(=O)NC[C@H]2CCCO2)CC1 ZINC000074920901 384312084 /nfs/dbraw/zinc/31/20/84/384312084.db2.gz UVZFYZPZMHATRO-GFCCVEGCSA-N 1 0 240.347 1.014 40 0 BDABRO CCO[C@@H](Cc1ccccc1)N1CC[NH2+]CC1 ZINC000095887341 384404396 /nfs/dbraw/zinc/40/43/96/384404396.db2.gz FWVMRBIZUKGBTN-AWEZNQCLSA-N 1 0 234.343 1.497 40 0 BDABRO C(OC[C@]12CCCO[C@@H]1CC[NH2+]C2)C1CC1 ZINC000096039922 384426928 /nfs/dbraw/zinc/42/69/28/384426928.db2.gz DTKGAAOGOXOWRT-CHWSQXEVSA-N 1 0 225.332 1.572 40 0 BDABRO c1cncc(N[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC000096220088 384444307 /nfs/dbraw/zinc/44/43/07/384444307.db2.gz YVVURQKLCZVCMP-RYUDHWBXSA-N 1 0 219.288 1.015 40 0 BDABRO O=C1C[C@@H]2[NH2+]CC[C@@H]2N1c1ccsc1 ZINC000096246044 384445109 /nfs/dbraw/zinc/44/51/09/384445109.db2.gz RISYASHBQSFZFP-IUCAKERBSA-N 1 0 208.286 1.215 40 0 BDABRO c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1[C@H]2N1CCOCC1 ZINC000096251704 384445117 /nfs/dbraw/zinc/44/51/17/384445117.db2.gz BJCZPLYUPKPHRG-KKUMJFAQSA-N 1 0 244.338 1.377 40 0 BDABRO CCOCC[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219023 384447734 /nfs/dbraw/zinc/44/77/34/384447734.db2.gz RXYPCEIOYUTETK-JTQLQIEISA-N 1 0 231.336 1.590 40 0 BDABRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccco1 ZINC000096056460 384429334 /nfs/dbraw/zinc/42/93/34/384429334.db2.gz OUEOHXNUPMPDKS-VXGBXAGGSA-N 1 0 234.299 1.475 40 0 BDABRO O=C1CC[C@]2(CCC[N@H+](CC3CC3)CC2)N1 ZINC000096047479 384429883 /nfs/dbraw/zinc/42/98/83/384429883.db2.gz YPRDJHRFVNZYKL-ZDUSSCGKSA-N 1 0 222.332 1.531 40 0 BDABRO CC[N@@H+]1CCC2(CN(C(=O)CC3CC3)C2)C1 ZINC000096070921 384432421 /nfs/dbraw/zinc/43/24/21/384432421.db2.gz CHXFSRLNNZXCCC-UHFFFAOYSA-N 1 0 222.332 1.341 40 0 BDABRO COc1ncccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2C ZINC000096100475 384435378 /nfs/dbraw/zinc/43/53/78/384435378.db2.gz MDYBDNULGRQTRK-QWHCGFSZSA-N 1 0 247.342 1.369 40 0 BDABRO CN1C(=O)C[C@@H]2[C@H]1CC[N@@H+]2Cc1ccoc1 ZINC000096081175 384435578 /nfs/dbraw/zinc/43/55/78/384435578.db2.gz IEYZUUNCLCAFFI-GHMZBOCLSA-N 1 0 220.272 1.085 40 0 BDABRO Cc1ccc2c(c1)c(=O)ccn2CC(N)=[NH2+] ZINC000078400814 384443734 /nfs/dbraw/zinc/44/37/34/384443734.db2.gz ASELQBBLDPCPGU-UHFFFAOYSA-N 1 0 215.256 1.246 40 0 BDABRO [NH3+][C@@H]1CCN(c2cc(C(F)(F)F)ncn2)C1 ZINC000079387801 384492301 /nfs/dbraw/zinc/49/23/01/384492301.db2.gz IASFYHSTCPJRQG-ZCFIWIBFSA-N 1 0 232.209 1.033 40 0 BDABRO [NH3+]Cc1ccc([C@@H]2CNC(=O)C2)c(Cl)c1 ZINC000199775404 384539370 /nfs/dbraw/zinc/53/93/70/384539370.db2.gz RACIOHXTZMLEFQ-QMMMGPOBSA-N 1 0 224.691 1.402 40 0 BDABRO Cc1cc(C[NH3+])ccc1[C@@H]1CCNC(=O)C1 ZINC000199775650 384540496 /nfs/dbraw/zinc/54/04/96/384540496.db2.gz NIAOEPBQULTKIA-LLVKDONJSA-N 1 0 218.300 1.447 40 0 BDABRO [NH3+]Cc1cccc(N2CCCCS2(=O)=O)c1 ZINC000082657121 384701186 /nfs/dbraw/zinc/70/11/86/384701186.db2.gz WGVROTXFLCCLMU-UHFFFAOYSA-N 1 0 240.328 1.075 40 0 BDABRO Cn1ncc(C[NH3+])c1COC1CCCC1 ZINC000408715721 384701531 /nfs/dbraw/zinc/70/15/31/384701531.db2.gz CXJDURQXBSAYEJ-UHFFFAOYSA-N 1 0 209.293 1.338 40 0 BDABRO Cn1ncc(C[NH3+])c1COCCC(F)(F)F ZINC000408716129 384702099 /nfs/dbraw/zinc/70/20/99/384702099.db2.gz JFGCALXXKWCMRF-UHFFFAOYSA-N 1 0 237.225 1.348 40 0 BDABRO CCOc1ccccc1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000054369719 384836251 /nfs/dbraw/zinc/83/62/51/384836251.db2.gz MWQUVERAWNQTLG-NSHDSACASA-N 1 0 248.326 1.519 40 0 BDABRO COc1c(C)cccc1C[NH2+]CCCCO ZINC000095094820 384959756 /nfs/dbraw/zinc/95/97/56/384959756.db2.gz TXRSXRXJPXFJIY-UHFFFAOYSA-N 1 0 223.316 1.866 40 0 BDABRO CCOc1c(C)cccc1C[NH2+]C[C@H](C)O ZINC000095094844 384965146 /nfs/dbraw/zinc/96/51/46/384965146.db2.gz KCDOGHSXBWHCTO-NSHDSACASA-N 1 0 223.316 1.864 40 0 BDABRO Cc1ccsc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000072203693 385056035 /nfs/dbraw/zinc/05/60/35/385056035.db2.gz NUXQGRHLFBZLGD-VIFPVBQESA-N 1 0 224.329 1.490 40 0 BDABRO COC(=O)c1ccc2[nH]c(C)c(CC[NH3+])c2c1 ZINC000072206975 385057622 /nfs/dbraw/zinc/05/76/22/385057622.db2.gz JNYDDRAKMAZBNE-UHFFFAOYSA-N 1 0 232.283 1.764 40 0 BDABRO Fc1ccc(CNC[C@@H]2CCC[NH2+]2)cc1 ZINC000072203806 385058863 /nfs/dbraw/zinc/05/88/63/385058863.db2.gz KFWLYOJLJJSZDN-LBPRGKRZSA-N 1 0 208.280 1.667 40 0 BDABRO CCOC(=O)[C@H](CN)[C@@](C)(CC)[NH+](CC)CC ZINC000072210431 385067675 /nfs/dbraw/zinc/06/76/75/385067675.db2.gz IXTGTFBYFGOFFI-WCQYABFASA-N 1 0 244.379 1.635 40 0 BDABRO CC(=O)N1CCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212589 385074602 /nfs/dbraw/zinc/07/46/02/385074602.db2.gz DWYRYAFGZSIYTQ-GFCCVEGCSA-N 1 0 233.315 1.831 40 0 BDABRO CN(C)c1ccc([C@@H]2CCCN2C=O)cn1 ZINC000072212583 385077032 /nfs/dbraw/zinc/07/70/32/385077032.db2.gz OFSFTDDDEPTZQK-NSHDSACASA-N 1 0 219.288 1.441 40 0 BDABRO [NH3+]Cc1ccc(-n2ccccc2=O)cc1 ZINC000108270650 385028684 /nfs/dbraw/zinc/02/86/84/385028684.db2.gz BAPOOVAFCBDTNT-UHFFFAOYSA-N 1 0 200.241 1.296 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nnc(-c2cccc(O)c2)[nH]1 ZINC000095534721 385046737 /nfs/dbraw/zinc/04/67/37/385046737.db2.gz VRURVAHYTDLBFK-SNVBAGLBSA-N 1 0 232.287 1.833 40 0 BDABRO CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072187746 385047047 /nfs/dbraw/zinc/04/70/47/385047047.db2.gz RGDHNTRZTSONRD-JTQLQIEISA-N 1 0 233.315 1.250 40 0 BDABRO Cn1cc(-c2noc([C@@H]3CCC[NH2+]CC3)n2)cn1 ZINC000095095443 385122460 /nfs/dbraw/zinc/12/24/60/385122460.db2.gz MTLYSDXAFBVWDQ-SECBINFHSA-N 1 0 247.302 1.327 40 0 BDABRO CCc1[nH]c(=O)c(C[NH3+])c2c1CCCC2 ZINC000072226586 385127779 /nfs/dbraw/zinc/12/77/79/385127779.db2.gz APMXPNLZEQUEKH-UHFFFAOYSA-N 1 0 206.289 1.275 40 0 BDABRO c1cnc(N2CCOCC2)c(C2=[NH+]CCC2)c1 ZINC000072216203 385093402 /nfs/dbraw/zinc/09/34/02/385093402.db2.gz LHAPRQRPKQXDHY-UHFFFAOYSA-N 1 0 231.299 1.501 40 0 BDABRO CN1CCN(c2ncccc2C2=[NH+]CCC2)CC1 ZINC000072216563 385098079 /nfs/dbraw/zinc/09/80/79/385098079.db2.gz OFHHFTJEQJILLS-UHFFFAOYSA-N 1 0 244.342 1.416 40 0 BDABRO COc1ccc([C@@H]2C[N@H+](C)C[C@H]2CO)cc1 ZINC000242547833 385188034 /nfs/dbraw/zinc/18/80/34/385188034.db2.gz KUYYGVJYJPSSMR-AAEUAGOBSA-N 1 0 221.300 1.333 40 0 BDABRO c1ccc(COC2CC3(C[NH2+]C3)C2)nc1 ZINC000096509132 385240022 /nfs/dbraw/zinc/24/00/22/385240022.db2.gz VXGSYZFBMWUMSW-UHFFFAOYSA-N 1 0 204.273 1.350 40 0 BDABRO [NH3+][C@@H]1CCCc2c1ccc(=O)n2CC1CC1 ZINC000096510620 385246052 /nfs/dbraw/zinc/24/60/52/385246052.db2.gz MFVZJOSTTMZRIB-LLVKDONJSA-N 1 0 218.300 1.594 40 0 BDABRO [NH3+][C@@H]1CCN(Cc2n[nH]c3ccccc32)C1 ZINC000096523510 385268653 /nfs/dbraw/zinc/26/86/53/385268653.db2.gz MWSGEAHAWOKSGC-SECBINFHSA-N 1 0 216.288 1.096 40 0 BDABRO Cc1noc(C)c1CCN(C)C[C@@H](C)[NH3+] ZINC000096523892 385270632 /nfs/dbraw/zinc/27/06/32/385270632.db2.gz RSHWTQRJWFEHSQ-MRVPVSSYSA-N 1 0 211.309 1.113 40 0 BDABRO CCC[C@H]([NH3+])CN(C)Cc1c(C)nn(C)c1C ZINC000096523987 385270780 /nfs/dbraw/zinc/27/07/80/385270780.db2.gz VDFXLKMMNJIMSV-LBPRGKRZSA-N 1 0 238.379 1.596 40 0 BDABRO CCC[C@H]([NH3+])CN(C)Cc1cn(CC)nc1C ZINC000096523989 385272137 /nfs/dbraw/zinc/27/21/37/385272137.db2.gz XKFPMNWWVDHTMC-ZDUSSCGKSA-N 1 0 238.379 1.771 40 0 BDABRO Cc1cc(-c2csc(C[NH3+])n2)nn1C ZINC000096528244 385274497 /nfs/dbraw/zinc/27/44/97/385274497.db2.gz CAZSXGQIXCIEIP-UHFFFAOYSA-N 1 0 208.290 1.311 40 0 BDABRO CC(C)c1nc(N)cc(C2CC[NH2+]CC2)n1 ZINC000096529245 385279805 /nfs/dbraw/zinc/27/98/05/385279805.db2.gz VTDRDTORQKTDTC-UHFFFAOYSA-N 1 0 220.320 1.649 40 0 BDABRO Clc1nccnc1OC[C@H]1CCCC[NH2+]1 ZINC000096529986 385285800 /nfs/dbraw/zinc/28/58/00/385285800.db2.gz ZYCLJDVVRVBHFY-MRVPVSSYSA-N 1 0 227.695 1.651 40 0 BDABRO C[NH+](C)CC[C@@H]1Cc2ccccc2C1=O ZINC000034534975 385286211 /nfs/dbraw/zinc/28/62/11/385286211.db2.gz XJKFCKOAHVBKLL-LLVKDONJSA-N 1 0 203.285 1.993 40 0 BDABRO CC[C@H]1[NH2+][C@@H]1CCOC(=O)c1ccccc1 ZINC000169804298 385421296 /nfs/dbraw/zinc/42/12/96/385421296.db2.gz XNQACXQKUXBMHZ-VXGBXAGGSA-N 1 0 219.284 1.984 40 0 BDABRO CN[C@H](C[NH3+])c1ccccc1Br ZINC000050269919 385467190 /nfs/dbraw/zinc/46/71/90/385467190.db2.gz GPFZOTUSZMDDIF-SECBINFHSA-N 1 0 229.121 1.668 40 0 BDABRO COC(=O)c1sc([C@@H]2CCC[NH2+]C2)nc1C ZINC000328579395 385489071 /nfs/dbraw/zinc/48/90/71/385489071.db2.gz FJUHXQFTQIUJTD-MRVPVSSYSA-N 1 0 240.328 1.705 40 0 BDABRO O=C(C[NH2+]C1CC1)NCCc1ccccc1 ZINC000037386713 385643364 /nfs/dbraw/zinc/64/33/64/385643364.db2.gz YMZLJYDTKUKJIM-UHFFFAOYSA-N 1 0 218.300 1.097 40 0 BDABRO CCOc1ccc([C@H](C[NH2+]C)OC)cc1 ZINC000062711449 385689094 /nfs/dbraw/zinc/68/90/94/385689094.db2.gz QFCDEKHGATVBIT-LBPRGKRZSA-N 1 0 209.289 1.992 40 0 BDABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1F ZINC000062713697 385698675 /nfs/dbraw/zinc/69/86/75/385698675.db2.gz ABOJKCPQWAENOQ-MWLCHTKSSA-N 1 0 213.227 1.390 40 0 BDABRO [NH3+][C@@H]1CC12CN(C(=O)OCc1ccccc1)C2 ZINC000255187158 385712541 /nfs/dbraw/zinc/71/25/41/385712541.db2.gz BOVLHBOVUMCVOW-LLVKDONJSA-N 1 0 232.283 1.356 40 0 BDABRO CC[C@@H](CO)[NH2+]Cc1cnc(SC)nc1 ZINC000062717208 385714266 /nfs/dbraw/zinc/71/42/66/385714266.db2.gz RIFFUONHLTXDAQ-VIFPVBQESA-N 1 0 227.333 1.059 40 0 BDABRO FC(F)(F)c1n[nH]c2c1CC[C@@H]1C[NH2+]C[C@H]21 ZINC000257257628 385758284 /nfs/dbraw/zinc/75/82/84/385758284.db2.gz KQLVWBMMYFWVPI-VDTYLAMSSA-N 1 0 231.221 1.678 40 0 BDABRO Nc1ncnc2nc([C@H]3CCCC[NH2+]3)ccc12 ZINC000257280297 385758487 /nfs/dbraw/zinc/75/84/87/385758487.db2.gz OKIMFEIOKFXIBT-SECBINFHSA-N 1 0 229.287 1.422 40 0 BDABRO Cc1cc(-c2cncn2C)nc([C@@H]2CCC[NH2+]2)n1 ZINC000257307911 385760044 /nfs/dbraw/zinc/76/00/44/385760044.db2.gz TUQJDYASLVVJAP-JTQLQIEISA-N 1 0 243.314 1.610 40 0 BDABRO CN(CC[NH3+])Cc1ccc(Br)cc1 ZINC000096319875 385912223 /nfs/dbraw/zinc/91/22/23/385912223.db2.gz OCCHFDJIUCHFOJ-UHFFFAOYSA-N 1 0 243.148 1.840 40 0 BDABRO C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000038121292 386124629 /nfs/dbraw/zinc/12/46/29/386124629.db2.gz VCPBQYAPSYZGLN-SECBINFHSA-N 1 0 219.206 1.958 40 0 BDABRO CC(C)NC(=S)NCC[NH+]1CCCCC1 ZINC000059266536 386472456 /nfs/dbraw/zinc/47/24/56/386472456.db2.gz YSOOPOGNIUOCSZ-UHFFFAOYSA-N 1 0 229.393 1.345 40 0 BDABRO CC(C)n1ccnc1[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000242648991 386526448 /nfs/dbraw/zinc/52/64/48/386526448.db2.gz RPJSBYXOKWUVIT-MNOVXSKESA-N 1 0 223.320 1.890 40 0 BDABRO FC(F)(F)c1cc(O[C@@H]2CCC[NH2+]C2)ncn1 ZINC000098213957 386582618 /nfs/dbraw/zinc/58/26/18/386582618.db2.gz MBVHLZSIFGWEPY-SSDOTTSWSA-N 1 0 247.220 1.626 40 0 BDABRO O=C1CC2(CN1CC(F)(F)F)CC[NH2+]CC2 ZINC000098214167 386582631 /nfs/dbraw/zinc/58/26/31/386582631.db2.gz HMCLMQAMDIWBIU-UHFFFAOYSA-N 1 0 236.237 1.151 40 0 BDABRO C[N@@H+]1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000225609218 386672311 /nfs/dbraw/zinc/67/23/11/386672311.db2.gz YERUOLXDZSNEDO-ZYHUDNBSSA-N 1 0 225.719 1.978 40 0 BDABRO Cc1cncc(CO[C@@H]2CCOC3(C[NH2+]C3)C2)c1 ZINC000247878762 386734844 /nfs/dbraw/zinc/73/48/44/386734844.db2.gz BMSUUZHFCWOAGH-CYBMUJFWSA-N 1 0 248.326 1.428 40 0 BDABRO CC[NH+](CC)C[C@H]1CN(C)Cc2cncn21 ZINC000248095873 386745120 /nfs/dbraw/zinc/74/51/20/386745120.db2.gz CXYOQJABGTYGBG-GFCCVEGCSA-N 1 0 222.336 1.211 40 0 BDABRO O=C(OCc1ccccc1)N1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC000095626830 386995797 /nfs/dbraw/zinc/99/57/97/386995797.db2.gz GSSIZLVUEGJKBB-STQMWFEESA-N 1 0 246.310 1.617 40 0 BDABRO c1nn(CC2CC2)cc1C[NH2+]C[C@H]1CCCO1 ZINC000575415170 387023757 /nfs/dbraw/zinc/02/37/57/387023757.db2.gz QXZXFBSYKHWXQV-CYBMUJFWSA-N 1 0 235.331 1.562 40 0 BDABRO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[NH2+]C2 ZINC000096244831 387024079 /nfs/dbraw/zinc/02/40/79/387024079.db2.gz JTBKPIJMWDTIOO-HNNXBMFYSA-N 1 0 242.322 1.674 40 0 BDABRO CCN(CC)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050931180 387355652 /nfs/dbraw/zinc/35/56/52/387355652.db2.gz KKIWEIUOJUCGLT-LLVKDONJSA-N 1 0 212.337 1.777 40 0 BDABRO [NH3+]Cc1cc(OC2CCOCC2)ccn1 ZINC000051522171 387850282 /nfs/dbraw/zinc/85/02/82/387850282.db2.gz RRYRDDOEHJPFID-UHFFFAOYSA-N 1 0 208.261 1.098 40 0 BDABRO CCn1nccc1CNCC[NH+](CC)CC ZINC000159879818 387853860 /nfs/dbraw/zinc/85/38/60/387853860.db2.gz YWIMGOILZRCXLZ-UHFFFAOYSA-N 1 0 224.352 1.334 40 0 BDABRO C(=C/c1ccccc1)\CCN1CC[NH2+]CC1 ZINC000071519829 387855574 /nfs/dbraw/zinc/85/55/74/387855574.db2.gz RUAZBTZHAHUKSD-XBXARRHUSA-N 1 0 216.328 1.995 40 0 BDABRO [NH3+][C@@H]1CCN(CCOc2ccc(Cl)cc2)C1 ZINC000050242955 387932681 /nfs/dbraw/zinc/93/26/81/387932681.db2.gz RFZQQVNYGMLHGX-LLVKDONJSA-N 1 0 240.734 1.752 40 0 BDABRO CN[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000050269826 387954637 /nfs/dbraw/zinc/95/46/37/387954637.db2.gz SMZZXIQFAQJFDI-VIFPVBQESA-N 1 0 229.121 1.668 40 0 BDABRO COc1cccc([C@H]2CN(C)C[C@@H]2[NH3+])c1OC ZINC000216411630 388355610 /nfs/dbraw/zinc/35/56/10/388355610.db2.gz ZKYQIWYYJQYSPJ-MNOVXSKESA-N 1 0 236.315 1.060 40 0 BDABRO CC(C)n1nccc1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000132316788 388358243 /nfs/dbraw/zinc/35/82/43/388358243.db2.gz OWRBVGMMCTXGCW-SNVBAGLBSA-N 1 0 236.319 1.545 40 0 BDABRO CCS(=O)(=O)[C@@H](C[NH3+])C1CCCCC1 ZINC000217769600 388380916 /nfs/dbraw/zinc/38/09/16/388380916.db2.gz JYLRGQBIFGYQLB-JTQLQIEISA-N 1 0 219.350 1.329 40 0 BDABRO COCC[N@@H+]1C[C@@H](O)C[C@H]1CC(C)C ZINC000242543506 388399204 /nfs/dbraw/zinc/39/92/04/388399204.db2.gz KCSROKQMPMKGEU-MNOVXSKESA-N 1 0 201.310 1.114 40 0 BDABRO C[C@H]([NH3+])CN1CCCC[C@H]1c1cccnc1 ZINC000242701701 388400837 /nfs/dbraw/zinc/40/08/37/388400837.db2.gz WKYAMPGIQNSEHE-AAEUAGOBSA-N 1 0 219.332 1.956 40 0 BDABRO CC(C)c1ccc2c(n1)NC(=O)[C@@H]([NH3+])C2 ZINC000242722933 388400897 /nfs/dbraw/zinc/40/08/97/388400897.db2.gz XYLSGRXGMDFIQO-QMMMGPOBSA-N 1 0 205.261 1.027 40 0 BDABRO CN(Cc1cccc(Cl)c1Cl)C(=O)C[NH3+] ZINC000037798511 388610335 /nfs/dbraw/zinc/61/03/35/388610335.db2.gz YRJHEYMJIIXGFH-UHFFFAOYSA-N 1 0 247.125 1.911 40 0 BDABRO COC[C@H]1C[NH2+]Cc2nn(CC3CC3)cc21 ZINC000306136964 388628990 /nfs/dbraw/zinc/62/89/90/388628990.db2.gz QHRUDBQXNPAXMY-SNVBAGLBSA-N 1 0 221.304 1.126 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1F ZINC000062713703 388655267 /nfs/dbraw/zinc/65/52/67/388655267.db2.gz ABOJKCPQWAENOQ-KOLCDFICSA-N 1 0 213.227 1.390 40 0 BDABRO CCSc1ncc(CNCCC[NH2+]C)cn1 ZINC000062718346 388655811 /nfs/dbraw/zinc/65/58/11/388655811.db2.gz WHOSUQDEZGTBHG-UHFFFAOYSA-N 1 0 240.376 1.288 40 0 BDABRO [NH3+]C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000011888335 388710695 /nfs/dbraw/zinc/71/06/95/388710695.db2.gz OTPUDEQDIQZGOD-LLVKDONJSA-N 1 0 222.307 1.996 40 0 BDABRO Cc1ccccc1N1CCN(C[C@@H](C)[NH3+])CC1 ZINC000096523932 132311942 /nfs/dbraw/zinc/31/19/42/132311942.db2.gz NLKVBHBSBRPHAA-CYBMUJFWSA-N 1 0 233.359 1.464 40 0 BDABRO [NH3+]Cc1cccc(N2CCCNC2=O)c1 ZINC000043323252 132352859 /nfs/dbraw/zinc/35/28/59/132352859.db2.gz XVMRBKRTDYCGMF-UHFFFAOYSA-N 1 0 205.261 1.065 40 0 BDABRO CC(C)(C)OC(=O)N(C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000079437689 166643256 /nfs/dbraw/zinc/64/32/56/166643256.db2.gz PQGSIZQTHUKZTK-SNVBAGLBSA-N 1 0 240.347 1.995 40 0 BDABRO CC(C)NC(=O)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC000096071898 167070303 /nfs/dbraw/zinc/07/03/03/167070303.db2.gz JJDDWFLCXUCJPL-CYBMUJFWSA-N 1 0 239.363 1.713 40 0 BDABRO CC[NH+](CC)CC[C@@H](C(N)=O)c1ccccc1 ZINC000002048024 169783549 /nfs/dbraw/zinc/78/35/49/169783549.db2.gz HFBSQJRAVKIURY-CYBMUJFWSA-N 1 0 234.343 1.987 40 0 BDABRO CC(C)OCCC[NH2+]Cc1ccn(C)n1 ZINC000163781290 167223810 /nfs/dbraw/zinc/22/38/10/167223810.db2.gz XVPBROCGKZUHQF-UHFFFAOYSA-N 1 0 211.309 1.325 40 0 BDABRO CO[C@H]1C[NH2+][C@H](c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253536371 411300732 /nfs/dbraw/zinc/30/07/32/411300732.db2.gz OYFVHHHKDBXZHN-KCJUWKMLSA-N 1 0 245.282 1.385 40 0 BDABRO CCn1nc(N)cc1C[N@@H+]1CCCC[C@H]1C ZINC000408717395 411258183 /nfs/dbraw/zinc/25/81/83/411258183.db2.gz ZKTAGXCYRVNOHW-SNVBAGLBSA-N 1 0 222.336 1.860 40 0 BDABRO CC1CC[NH+](CCCNC(=O)C2CC2)CC1 ZINC000061553776 168179677 /nfs/dbraw/zinc/17/96/77/168179677.db2.gz LBHGRYATBNQAOC-UHFFFAOYSA-N 1 0 224.348 1.635 40 0 BDABRO CC[N@@H+]1CCc2[nH]c(=S)nc(C)c2C1 ZINC000049474128 170024881 /nfs/dbraw/zinc/02/48/81/170024881.db2.gz RLXXMERSJBUGAY-UHFFFAOYSA-N 1 0 209.318 1.452 40 0 BDABRO CC[NH2+]C/C=C\I ZINC000095093925 170108468 /nfs/dbraw/zinc/10/84/68/170108468.db2.gz AYZQGXWVXOEIAZ-ARJAWSKDSA-N 1 0 211.046 1.545 40 0 BDABRO CC[NH2+]Cc1ccc(OCC(=O)OC)cc1 ZINC000036611753 170127417 /nfs/dbraw/zinc/12/74/17/170127417.db2.gz DEUHBRACWKGZKV-UHFFFAOYSA-N 1 0 223.272 1.348 40 0 BDABRO CC[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000008227271 170127646 /nfs/dbraw/zinc/12/76/46/170127646.db2.gz OWHOFIFFBFNJLO-UHFFFAOYSA-N 1 0 225.288 1.822 40 0 BDABRO CC[NH2+]Cc1nc2cc(OC)ccc2[nH]1 ZINC000022122084 170131434 /nfs/dbraw/zinc/13/14/34/170131434.db2.gz YLKQWRVCVRTRES-UHFFFAOYSA-N 1 0 205.261 1.681 40 0 BDABRO CCOC(=O)CCc1ccc(C[NH3+])cc1F ZINC000199566366 170211927 /nfs/dbraw/zinc/21/19/27/170211927.db2.gz PDGZIZZIZIMDNJ-UHFFFAOYSA-N 1 0 225.263 1.780 40 0 BDABRO CCOCCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000256051633 170381813 /nfs/dbraw/zinc/38/18/13/170381813.db2.gz JYPUUAAEEUGGDO-UHFFFAOYSA-N 1 0 247.289 1.664 40 0 BDABRO CC[C@H](C)[C@H]([NH3+])CN(C)CCc1ccncc1 ZINC000039794735 171396967 /nfs/dbraw/zinc/39/69/67/171396967.db2.gz MSXXWKCWHXGNDA-GXTWGEPZSA-N 1 0 235.375 1.929 40 0 BDABRO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H]2CO2)C1 ZINC000096510524 172028769 /nfs/dbraw/zinc/02/87/69/172028769.db2.gz LBACWQHVIOANBO-NWDGAFQWSA-N 1 0 235.331 1.481 40 0 BDABRO CCc1noc(-c2cc(C3CC[NH2+]CC3)[nH]n2)n1 ZINC000096516105 172071470 /nfs/dbraw/zinc/07/14/70/172071470.db2.gz BOOCAQWBWVLNGI-UHFFFAOYSA-N 1 0 247.302 1.489 40 0 BDABRO CCn1c(=O)ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000096509751 172148339 /nfs/dbraw/zinc/14/83/39/172148339.db2.gz NWTOKACAEVFTAQ-SNVBAGLBSA-N 1 0 220.316 1.840 40 0 BDABRO CCn1cc(C[NH2+]C[C@@H]2CCCO2)c(C)n1 ZINC000256050085 172170219 /nfs/dbraw/zinc/17/02/19/172170219.db2.gz COSVHJZVSCUJJC-LBPRGKRZSA-N 1 0 223.320 1.480 40 0 BDABRO CCn1cc(C[NH2+]Cc2cccn2C)cn1 ZINC000020351200 172171862 /nfs/dbraw/zinc/17/18/62/172171862.db2.gz FHCLJURNDBJIJB-UHFFFAOYSA-N 1 0 218.304 1.531 40 0 BDABRO CCn1ccc(-c2csc(C[NH3+])n2)n1 ZINC000096528246 172200105 /nfs/dbraw/zinc/20/01/05/172200105.db2.gz ODVORDOMKSHDIC-UHFFFAOYSA-N 1 0 208.290 1.485 40 0 BDABRO CCn1ncc(C)c1C[NH2+]C[C@H]1CCCO1 ZINC000256049708 172254188 /nfs/dbraw/zinc/25/41/88/172254188.db2.gz BBJMLVCNPRHKKH-LLVKDONJSA-N 1 0 223.320 1.480 40 0 BDABRO CCn1ncc(C)c1C[NH2+]CCCCO ZINC000256050210 172254625 /nfs/dbraw/zinc/25/46/25/172254625.db2.gz DELSOFCZXLKQLT-UHFFFAOYSA-N 1 0 211.309 1.074 40 0 BDABRO C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000019588442 173001733 /nfs/dbraw/zinc/00/17/33/173001733.db2.gz PTPBBURYWFMTKP-UHFFFAOYSA-N 1 0 246.310 1.273 40 0 BDABRO C[N@@H+]1CCC[C@@H]1c1cncc(-n2ccnc2)n1 ZINC000257312721 173035850 /nfs/dbraw/zinc/03/58/50/173035850.db2.gz UPGQRBODTWHSLA-LLVKDONJSA-N 1 0 229.287 1.429 40 0 BDABRO CN(C(=O)[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000082321499 173038409 /nfs/dbraw/zinc/03/84/09/173038409.db2.gz RVTZWEPAMQVSSL-LBPRGKRZSA-N 1 0 232.327 1.991 40 0 BDABRO C[N@@H+]1CCC[C@H](Oc2ncccc2N)C1 ZINC000217514780 173046705 /nfs/dbraw/zinc/04/67/05/173046705.db2.gz UQGLMMVVJNNQGB-VIFPVBQESA-N 1 0 207.277 1.137 40 0 BDABRO C[N@@H+]1CCc2nc(NC[C@H]3CCCO3)ncc2C1 ZINC000049474151 173175052 /nfs/dbraw/zinc/17/50/52/173175052.db2.gz JQZOVODKUHLQKM-LLVKDONJSA-N 1 0 248.330 1.055 40 0 BDABRO C[N@@H+]1C[C@H](CO)[C@H](c2cccc(F)c2)C1 ZINC000217672530 173192209 /nfs/dbraw/zinc/19/22/09/173192209.db2.gz PMTYDJRHJNLFNW-PWSUYJOCSA-N 1 0 209.264 1.463 40 0 BDABRO CNc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329011480 173207768 /nfs/dbraw/zinc/20/77/68/173207768.db2.gz MFDNLQMDPNDPLA-UHFFFAOYSA-N 1 0 246.358 1.984 40 0 BDABRO C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000037469220 173323358 /nfs/dbraw/zinc/32/33/58/173323358.db2.gz MXHYKXRTIIPQBB-UHFFFAOYSA-N 1 0 208.261 1.104 40 0 BDABRO C[NH2+]CC(=O)N1CCCC[C@H]1c1nccc(C)n1 ZINC000072383408 173326145 /nfs/dbraw/zinc/32/61/45/173326145.db2.gz RGOAKWVHNHHOAO-NSHDSACASA-N 1 0 248.330 1.058 40 0 BDABRO C[NH2+]CCCNCc1cccc(C)c1OC ZINC000095094943 173349843 /nfs/dbraw/zinc/34/98/43/173349843.db2.gz VJJLNGKRPJDLMY-UHFFFAOYSA-N 1 0 222.332 1.703 40 0 BDABRO C[NH2+]C[C@@H]1CCCC[C@@]1(O)c1cccc(O)c1 ZINC000002525892 173366881 /nfs/dbraw/zinc/36/68/81/173366881.db2.gz CJXNQQLTDXASSR-GXTWGEPZSA-N 1 0 235.327 1.989 40 0 in-vitro BDABRO C[NH2+]C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 ZINC000002525891 173378544 /nfs/dbraw/zinc/37/85/44/173378544.db2.gz CJXNQQLTDXASSR-OCCSQVGLSA-N 1 0 235.327 1.989 40 0 world BDABRO C[NH2+]Cc1cc2cccc3c2n(c1=O)[C@@H](C)C3 ZINC000036644001 173387712 /nfs/dbraw/zinc/38/77/12/173387712.db2.gz IXAGTAMVYLXFDV-VIFPVBQESA-N 1 0 228.295 1.838 40 0 BDABRO C[NH2+]Cc1ccc(OC(F)F)c(N)c1 ZINC000085397021 173389064 /nfs/dbraw/zinc/38/90/64/173389064.db2.gz YDXDWRURNGPOCH-UHFFFAOYSA-N 1 0 202.204 1.590 40 0 BDABRO C[NH2+][C@@H](C)Cc1cc(OC)ccc1OC ZINC000011596833 173416153 /nfs/dbraw/zinc/41/61/53/173416153.db2.gz RSDBPMOXIPCTPN-VIFPVBQESA-N 1 0 209.289 1.854 40 0 in-vitro BDABRO COC(=O)[C@H](C)C[NH2+]CCc1ccccc1 ZINC000001677769 173770857 /nfs/dbraw/zinc/77/08/57/173770857.db2.gz KKHGLVXWFXAALZ-LLVKDONJSA-N 1 0 221.300 1.628 40 0 BDABRO COC1(c2cnn(C(C)C)c2)CC[NH2+]CC1 ZINC000096525694 174009902 /nfs/dbraw/zinc/00/99/02/174009902.db2.gz DIQDQQQUQPIRGA-UHFFFAOYSA-N 1 0 223.320 1.689 40 0 BDABRO COCCCn1cccc1[C@H]1CCC[NH2+]1 ZINC000225307679 174266151 /nfs/dbraw/zinc/26/61/51/174266151.db2.gz IELAZZHYPLXARL-LLVKDONJSA-N 1 0 208.305 1.949 40 0 BDABRO COCC[N@@H+]1CC[C@@H](OC(C)=O)[C@@H](C)[C@@H]1C ZINC000015305686 174313685 /nfs/dbraw/zinc/31/36/85/174313685.db2.gz IJRVCTCXVNZQPX-JBLDHEPKSA-N 1 0 229.320 1.295 40 0 BDABRO COCC[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000013561961 174332791 /nfs/dbraw/zinc/33/27/91/174332791.db2.gz YRJKAVUGUXJVQS-UHFFFAOYSA-N 1 0 226.251 1.000 40 0 BDABRO COc1cc(OC)c(CC[NH3+])cc1Cl ZINC000036181604 175007545 /nfs/dbraw/zinc/00/75/45/175007545.db2.gz XQYZIDMYRIZNLR-UHFFFAOYSA-N 1 0 215.680 1.858 40 0 BDABRO COc1cc2c(cc1OC)[C@@H](C[NH3+])CC2 ZINC000041216067 175025495 /nfs/dbraw/zinc/02/54/95/175025495.db2.gz IYJRUYCPCKOMAJ-SECBINFHSA-N 1 0 207.273 1.692 40 0 BDABRO COc1ccc(-c2nnc([C@@H](C)[NH3+])[nH]2)cc1OC ZINC000061843987 175038017 /nfs/dbraw/zinc/03/80/17/175038017.db2.gz NRGOWBJGEOYKJB-SSDOTTSWSA-N 1 0 248.286 1.509 40 0 BDABRO COc1ccc(Cl)cc1CNCC[NH3+] ZINC000038051613 175120791 /nfs/dbraw/zinc/12/07/91/175120791.db2.gz SAZPPDSFAKIGSK-UHFFFAOYSA-N 1 0 214.696 1.397 40 0 BDABRO COc1ccc(NC(=O)NC2CC[NH2+]CC2)cc1 ZINC000022169475 175143264 /nfs/dbraw/zinc/14/32/64/175143264.db2.gz CZTUIORZGGOJRN-UHFFFAOYSA-N 1 0 249.314 1.569 40 0 BDABRO COc1ccc(OC)c(-c2ccc(NN)[nH+]n2)c1 ZINC000050194221 175163254 /nfs/dbraw/zinc/16/32/54/175163254.db2.gz LHLIHBWYBPVAPU-UHFFFAOYSA-N 1 0 246.270 1.446 40 0 BDABRO COc1ccc([C@H]2C[C@]2(C[NH3+])CO)cc1 ZINC000062713324 175197941 /nfs/dbraw/zinc/19/79/41/175197941.db2.gz BDUWDTAIMSONOZ-NEPJUHHUSA-N 1 0 207.273 1.120 40 0 BDABRO COc1ccc2[nH]cc([C@H](O)CC[NH3+])c2c1 ZINC000082365541 175202851 /nfs/dbraw/zinc/20/28/51/175202851.db2.gz HMBYUKIBVRMZFF-GFCCVEGCSA-N 1 0 220.272 1.559 40 0 BDABRO COc1ccc2c(c1)C(=O)N(C1CC[NH2+]CC1)C2 ZINC000098214139 175206648 /nfs/dbraw/zinc/20/66/48/175206648.db2.gz QPLOPNBOZRXCBZ-UHFFFAOYSA-N 1 0 246.310 1.403 40 0 BDABRO COc1ccc2c(c1)OC1(CC[NH2+]CC1)C[C@@H]2O ZINC000036141268 175212796 /nfs/dbraw/zinc/21/27/96/175212796.db2.gz DSFFPTRTIYVQEF-LBPRGKRZSA-N 1 0 249.310 1.633 40 0 BDABRO COc1ccc2c(c1)[C@@]1(CC2)COCC[NH2+]1 ZINC000306146027 175215024 /nfs/dbraw/zinc/21/50/24/175215024.db2.gz ZSZUPKYTZLCNET-CYBMUJFWSA-N 1 0 219.284 1.457 40 0 BDABRO COc1cccc(C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000054370339 175243460 /nfs/dbraw/zinc/24/34/60/175243460.db2.gz SQYNRQYEQYKVGQ-JTQLQIEISA-N 1 0 234.299 1.129 40 0 BDABRO COc1cccc(NC[C@H]2COCC[NH2+]2)c1 ZINC000216592655 175278774 /nfs/dbraw/zinc/27/87/74/175278774.db2.gz GVLSRAGMPPEWBL-NSHDSACASA-N 1 0 222.288 1.096 40 0 BDABRO COc1ccccc1CCCN1CC[C@@H]([NH3+])C1 ZINC000096523488 175322357 /nfs/dbraw/zinc/32/23/57/175322357.db2.gz AKFUJDRKBJRRSZ-CYBMUJFWSA-N 1 0 234.343 1.661 40 0 BDABRO COc1ccccc1CN(C(=O)C[NH3+])C(C)C ZINC000032090036 175324481 /nfs/dbraw/zinc/32/44/81/175324481.db2.gz SZJLIWHWJCENTE-UHFFFAOYSA-N 1 0 236.315 1.391 40 0 BDABRO C[C@@H](c1nccs1)N1CCC[C@H](CO)C1 ZINC000043220359 176039210 /nfs/dbraw/zinc/03/92/10/176039210.db2.gz VLGMOLAFUBVKKH-UWVGGRQHSA-N 1 0 226.345 1.908 40 0 BDABRO C[C@@H](c1nccs1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000072203857 176039773 /nfs/dbraw/zinc/03/97/73/176039773.db2.gz HLWZWVHOTIFKLT-VHSXEESVSA-N 1 0 225.361 1.888 40 0 BDABRO C[C@@H]1CC([NH2+]CC[S@](C)=O)C[C@@H](C)C1 ZINC000097229310 176055318 /nfs/dbraw/zinc/05/53/18/176055318.db2.gz KQUZTVRCEOWKGT-PKFCDNJMSA-N 1 0 217.378 1.779 40 0 BDABRO C[C@@H]1CC[N@H+](CC2CCOCC2)[C@H](CN)C1 ZINC000082643420 176168164 /nfs/dbraw/zinc/16/81/64/176168164.db2.gz JYLXZSCMTSMHCJ-YPMHNXCESA-N 1 0 226.364 1.472 40 0 BDABRO C[C@@H]1CC[NH2+]C[C@H]1N(C)C(=O)OC(C)(C)C ZINC000117733726 176185556 /nfs/dbraw/zinc/18/55/56/176185556.db2.gz GEUGTHQTDCPAHY-NXEZZACHSA-N 1 0 228.336 1.851 40 0 BDABRO C[C@@H]1CC[NH2+][C@@H]1c1nc2c(cccc2C(N)=O)[nH]1 ZINC000095635472 176186630 /nfs/dbraw/zinc/18/66/30/176186630.db2.gz FXRVOXLVQCUUGN-XCBNKYQSSA-N 1 0 244.298 1.332 40 0 BDABRO C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000062622700 176261555 /nfs/dbraw/zinc/26/15/55/176261555.db2.gz UUSQWCBNKSIHEC-LLVKDONJSA-N 1 0 247.342 1.187 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(Cl)c1 ZINC000054370285 176327120 /nfs/dbraw/zinc/32/71/20/176327120.db2.gz ACCDBDANTWPPJX-SECBINFHSA-N 1 0 238.718 1.774 40 0 BDABRO C[C@@H]1[NH2+]CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000211672387 176459148 /nfs/dbraw/zinc/45/91/48/176459148.db2.gz CVCMTSFXNBEYEM-UWVGGRQHSA-N 1 0 228.336 1.899 40 0 BDABRO C[C@@H]1[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000261508276 176463153 /nfs/dbraw/zinc/46/31/53/176463153.db2.gz QYYZYCFTSSDRPU-YIZRAAEISA-N 1 0 212.293 1.214 40 0 BDABRO C[C@H]1CCC[N@H+](Cc2cc(N)n(C)n2)C1 ZINC000058083902 177100429 /nfs/dbraw/zinc/10/04/29/177100429.db2.gz RKXCOCNENJPZRQ-VIFPVBQESA-N 1 0 208.309 1.234 40 0 BDABRO C[C@H]1CCC[C@@H](C(=O)N2CCCCCC2)[NH2+]1 ZINC000019425427 177113120 /nfs/dbraw/zinc/11/31/20/177113120.db2.gz PTALNMZSELWVIG-RYUDHWBXSA-N 1 0 224.348 1.920 40 0 BDABRO C[C@H]1CN(C(=O)CCC2CCCC2)CC[NH2+]1 ZINC000067799326 177214950 /nfs/dbraw/zinc/21/49/50/177214950.db2.gz IGVPCETVEVOYFJ-NSHDSACASA-N 1 0 224.348 1.777 40 0 BDABRO C[C@@H](c1nccs1)N1CC[NH2+][C@@H](C)C1 ZINC000072203941 177274147 /nfs/dbraw/zinc/27/41/47/177274147.db2.gz KFZHVOFFFZHVDL-IUCAKERBSA-N 1 0 211.334 1.498 40 0 BDABRO C[C@H]1C[NH2+]CCN1Cc1ccc(Cl)nc1 ZINC000054372141 177284182 /nfs/dbraw/zinc/28/41/82/177284182.db2.gz HLPWSUZEVFWXAB-VIFPVBQESA-N 1 0 225.723 1.529 40 0 BDABRO C[C@H]1[NH2+]CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000211672316 177395725 /nfs/dbraw/zinc/39/57/25/177395725.db2.gz CVCMTSFXNBEYEM-ZJUUUORDSA-N 1 0 228.336 1.899 40 0 BDABRO COc1ccc2ccccc2c1C[C@H](C[NH3+])CO ZINC000037290022 262745202 /nfs/dbraw/zinc/74/52/02/262745202.db2.gz RGOPNNRPYPEMOT-LLVKDONJSA-N 1 0 245.322 1.958 40 0 BDABRO Clc1cnc(N[C@H]2CCC[NH2+]C2)nc1 ZINC000072202993 487995785 /nfs/dbraw/zinc/99/57/85/487995785.db2.gz XLMBRFUUUMUICY-QMMMGPOBSA-N 1 0 212.684 1.294 40 0 BDABRO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2C)cc1 ZINC000225777164 521038168 /nfs/dbraw/zinc/03/81/68/521038168.db2.gz DXSRNPGUNMTMDU-KCJUWKMLSA-N 1 0 220.272 1.148 40 0 BDABRO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2C)cc1 ZINC000225777146 521038463 /nfs/dbraw/zinc/03/84/63/521038463.db2.gz DXSRNPGUNMTMDU-GZMMTYOYSA-N 1 0 220.272 1.148 40 0 BDABRO COc1ccccc1C[C@@H]1C[N@@H+]2CCC[C@H]2CN1 ZINC000039957311 524506809 /nfs/dbraw/zinc/50/68/09/524506809.db2.gz RGHOSBJYYVCBFX-KGLIPLIRSA-N 1 0 246.354 1.674 40 0 BDABRO Cc1ccc(Br)c(NN)[nH+]1 ZINC000199542742 525981898 /nfs/dbraw/zinc/98/18/98/525981898.db2.gz WNUAXTJBNFTERZ-UHFFFAOYSA-N 1 0 202.055 1.438 40 0 BDABRO NC(=[NH2+])c1cc(F)cc(Br)c1 ZINC000084193959 526821004 /nfs/dbraw/zinc/82/10/04/526821004.db2.gz IJKHLIXVCAHONE-UHFFFAOYSA-N 1 0 217.041 1.872 40 0 BDABRO O=C(C[C@H]1COCC[NH2+]1)OCc1ccccc1 ZINC000002527103 527177571 /nfs/dbraw/zinc/17/75/71/527177571.db2.gz KQXPHVYRJYTGTM-LBPRGKRZSA-N 1 0 235.283 1.108 40 0 BDABRO CN1C(=O)CC2(CC[NH2+]CC2)c2ccccc21 ZINC000096243944 536307337 /nfs/dbraw/zinc/30/73/37/536307337.db2.gz FGRZOAGFJACJEA-UHFFFAOYSA-N 1 0 230.311 1.674 40 0 BDABRO COc1ccccc1N1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000011632703 537076205 /nfs/dbraw/zinc/07/62/05/537076205.db2.gz PMERMTHNCBOXDU-QWRGUYRKSA-N 1 0 220.316 1.882 40 0 BDABRO CO[C@]12COC(=O)[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000066055331 636068147 /nfs/dbraw/zinc/06/81/47/636068147.db2.gz HOJNYORDDSEUCZ-TZMCWYRMSA-N 1 0 247.294 1.060 40 0 BDABRO COC(=O)c1ccc2c(c1)[n+](=O)c(C)c(C)n2O ZINC000408526124 136207582 /nfs/dbraw/zinc/20/75/82/136207582.db2.gz TUPDZWZPDZPKLS-UHFFFAOYSA-N 1 0 249.246 1.197 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)NCc1ccsc1 ZINC000063154675 187324556 /nfs/dbraw/zinc/32/45/56/187324556.db2.gz LGRKXHSLJGBOMC-VIFPVBQESA-N 1 0 212.318 1.348 40 0 BDABRO CCS(=O)(=O)[C@H]1[C@H]([NH3+])[C@@H]1c1ccc(F)cc1 ZINC000218538762 398174348 /nfs/dbraw/zinc/17/43/48/398174348.db2.gz NKBPKNOHJPXKNO-HBNTYKKESA-N 1 0 243.303 1.054 40 0 BDABRO Cc1cc(F)cc(CNC2CC[NH2+]CC2)c1 ZINC000067802669 178076456 /nfs/dbraw/zinc/07/64/56/178076456.db2.gz OWTXWFIALRSZRT-UHFFFAOYSA-N 1 0 222.307 1.976 40 0 BDABRO Cn1ccnc1-c1cnc(C[C@H]2CC[NH2+]C2)cn1 ZINC000257318364 187330559 /nfs/dbraw/zinc/33/05/59/187330559.db2.gz VNOXNQMWKYYZAO-SNVBAGLBSA-N 1 0 243.314 1.029 40 0 BDABRO CC1(C)[NH2+]CC[C@@]12c1ccccc1OC2=O ZINC000261507083 187331080 /nfs/dbraw/zinc/33/10/80/187331080.db2.gz FCJXMEDYNWARDN-ZDUSSCGKSA-N 1 0 217.268 1.615 40 0 BDABRO Cc1ccc(-n2cnc(C[NH3+])c2)c(C)c1 ZINC000082531495 178347744 /nfs/dbraw/zinc/34/77/44/178347744.db2.gz QOERSXYBWQNVJD-UHFFFAOYSA-N 1 0 201.273 1.948 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](C)(O)C[NH3+] ZINC000072207968 259315090 /nfs/dbraw/zinc/31/50/90/259315090.db2.gz YSFVCYSQTOZXKF-CABZTGNLSA-N 1 0 244.335 1.096 40 0 BDABRO CC[C@@H]([NH2+]C)[C@H](C)NC(=O)OC(C)(C)C ZINC000072207611 259315146 /nfs/dbraw/zinc/31/51/46/259315146.db2.gz WIMPVGZRKLLUJS-DTWKUNHWSA-N 1 0 216.325 1.898 40 0 BDABRO CCOC(=O)[C@@H](N)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000072210528 259316969 /nfs/dbraw/zinc/31/69/69/259316969.db2.gz GIYCRJHTIHENPE-NWDGAFQWSA-N 1 0 242.363 1.387 40 0 BDABRO O=Cc1cccc[n+]1Cc1ccc2c(c1)OCO2 ZINC000001566732 342703386 /nfs/dbraw/zinc/70/33/86/342703386.db2.gz CMTARXARASWEHV-UHFFFAOYSA-N 1 0 242.254 1.564 40 0 BDABRO CC1([C@H]([NH3+])Cc2c[nH]c3ccccc23)OCCO1 ZINC000001681051 342708662 /nfs/dbraw/zinc/70/86/62/342708662.db2.gz LIIUBAAOXQOUJT-CYBMUJFWSA-N 1 0 246.310 1.801 40 0 BDABRO Cc1ccc(NC(=S)NC(N)=[NH2+])cc1 ZINC000004773260 342751801 /nfs/dbraw/zinc/75/18/01/342751801.db2.gz GDTGWBKXPIVHPW-UHFFFAOYSA-N 1 0 208.290 1.175 40 0 BDABRO CCCn1nc(C)c([C@H](C)OCC[NH3+])c1C ZINC000072219920 259319123 /nfs/dbraw/zinc/31/91/23/259319123.db2.gz YQZZNSPKIGYWNH-NSHDSACASA-N 1 0 225.336 1.946 40 0 BDABRO CCCCCC[NH2+]CCOCCOCCO ZINC000005418099 342763671 /nfs/dbraw/zinc/76/36/71/342763671.db2.gz SZFMWHHMFMTAFY-UHFFFAOYSA-N 1 0 233.352 1.182 40 0 BDABRO Nc1nc(N)nc(Cc2ccc(Cl)cc2)n1 ZINC000005895115 342771136 /nfs/dbraw/zinc/77/11/36/342771136.db2.gz LHFKGLFUORNWMI-UHFFFAOYSA-N 1 0 235.678 1.280 40 0 BDABRO Cc1cc(NC(=O)CC[NH3+])n(-c2ccccc2)n1 ZINC000072220466 259319521 /nfs/dbraw/zinc/31/95/21/259319521.db2.gz XYUIKJZCZQOPSF-UHFFFAOYSA-N 1 0 244.298 1.468 40 0 BDABRO CCOc1ccc(C[NH2+]C(C)(C)CO)cc1 ZINC000008324059 342797579 /nfs/dbraw/zinc/79/75/79/342797579.db2.gz NVGHESRFPKSWOK-UHFFFAOYSA-N 1 0 223.316 1.946 40 0 BDABRO C=Cc1cnc(N2CC[NH+](C)CC2)cc1C ZINC000072223613 259321615 /nfs/dbraw/zinc/32/16/15/259321615.db2.gz XNLKZDFEPVDHMX-UHFFFAOYSA-N 1 0 217.316 1.785 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccco1 ZINC000217671118 398322591 /nfs/dbraw/zinc/32/25/91/398322591.db2.gz ZBOTWDDBFUHQSN-IUCAKERBSA-N 1 0 209.245 1.098 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1F ZINC000217668093 398322821 /nfs/dbraw/zinc/32/28/21/398322821.db2.gz VWHZWDWGOAOBKG-MNOVXSKESA-N 1 0 237.274 1.644 40 0 BDABRO CCS(=O)(=O)[C@H]1[C@@H]([NH3+])[C@@H]1c1ccc(C)cc1 ZINC000218418359 398327631 /nfs/dbraw/zinc/32/76/31/398327631.db2.gz RHJJQEUGCMQWRN-SDDRHHMPSA-N 1 0 239.340 1.223 40 0 BDABRO COC(=O)C1=C(N)CC[N@H+](Cc2ccccc2)C1 ZINC000019418796 342948016 /nfs/dbraw/zinc/94/80/16/342948016.db2.gz HLKWMBMESNOAMS-UHFFFAOYSA-N 1 0 246.310 1.278 40 0 BDABRO CCN1CCOC[C@H]1C(=O)NCc1ccccc1 ZINC000217465026 187226928 /nfs/dbraw/zinc/22/69/28/187226928.db2.gz JXDZNIHQFMSPPN-ZDUSSCGKSA-N 1 0 248.326 1.024 40 0 BDABRO CC(C)[NH+]1CCC2(CC1)NCCn1cccc12 ZINC000032500427 187230222 /nfs/dbraw/zinc/23/02/22/187230222.db2.gz ZRXNZNKZBNAMQR-UHFFFAOYSA-N 1 0 233.359 1.791 40 0 BDABRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(O)c1 ZINC000259388530 343107367 /nfs/dbraw/zinc/10/73/67/343107367.db2.gz AFAUMTTXQAOWAJ-NWDGAFQWSA-N 1 0 235.283 1.258 40 0 BDABRO C/C=C\C=C/C=C/C[n+]1cccc(C(N)=O)c1 ZINC000005371923 187247711 /nfs/dbraw/zinc/24/77/11/187247711.db2.gz XVFRZKBFPVRQFZ-MUVPYGFYSA-O 1 0 229.303 1.762 40 0 BDABRO C[C@@H](O)C[NH2+]CCNCc1cccc(Cl)c1 ZINC000022074865 136278155 /nfs/dbraw/zinc/27/81/55/136278155.db2.gz HAJZPFSRNPYYRZ-SNVBAGLBSA-N 1 0 242.750 1.400 40 0 BDABRO CC(C)C(=O)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000033426538 343253869 /nfs/dbraw/zinc/25/38/69/343253869.db2.gz NHJPGOCEGTUKLG-CYBMUJFWSA-N 1 0 224.348 1.635 40 0 BDABRO COC(=O)[C@H](C)C[NH2+]CCc1ccc(F)cc1 ZINC000035133325 343285572 /nfs/dbraw/zinc/28/55/72/343285572.db2.gz JPYNXUPDLHHRRX-SNVBAGLBSA-N 1 0 239.290 1.767 40 0 BDABRO COC(=O)[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C ZINC000035133348 343285915 /nfs/dbraw/zinc/28/59/15/343285915.db2.gz BKFQOFXANZLMRR-MXWKQRLJSA-N 1 0 213.321 1.964 40 0 BDABRO C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)N1CCOCC1 ZINC000019366075 187251755 /nfs/dbraw/zinc/25/17/55/187251755.db2.gz DGSFCBWUKDGJBJ-ZIAGYGMSSA-N 1 0 238.375 1.441 40 0 BDABRO C[C@H]([NH3+])C(=O)N(C)Cc1ccccc1F ZINC000036134925 343302880 /nfs/dbraw/zinc/30/28/80/343302880.db2.gz JCRVLLLMZITGPI-QMMMGPOBSA-N 1 0 210.252 1.131 40 0 BDABRO Cc1cccc(CN(C(=O)[C@H](C)[NH3+])C2CC2)c1 ZINC000037807757 343312643 /nfs/dbraw/zinc/31/26/43/343312643.db2.gz GCKPTNLIRVKOGR-NSHDSACASA-N 1 0 232.327 1.833 40 0 BDABRO Cc1ccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000033426494 187256612 /nfs/dbraw/zinc/25/66/12/187256612.db2.gz OPLSIJFTFWUYSH-HNNXBMFYSA-N 1 0 244.338 1.821 40 0 BDABRO C[C@H]1CN(C(=O)c2ccc(F)cc2)CC[NH2+]1 ZINC000034431805 187257355 /nfs/dbraw/zinc/25/73/55/187257355.db2.gz GFYPGLIUERDLAW-VIFPVBQESA-N 1 0 222.263 1.260 40 0 BDABRO CN1C[C@@H](c2c(F)cccc2Cl)[C@H]([NH3+])C1 ZINC000075071489 259358971 /nfs/dbraw/zinc/35/89/71/259358971.db2.gz ITSXIPBLAYMTCS-GMSGAONNSA-N 1 0 228.698 1.835 40 0 BDABRO Cc1ccc(CN2CC[NH2+]C[C@H]2C)cc1 ZINC000041213209 343416800 /nfs/dbraw/zinc/41/68/00/343416800.db2.gz BOMNRYDGBCNOIT-GFCCVEGCSA-N 1 0 204.317 1.789 40 0 BDABRO CC(C)[N@H+](CCO)Cc1cncs1 ZINC000079422001 187262856 /nfs/dbraw/zinc/26/28/56/187262856.db2.gz KFJXDESDRPJRKZ-UHFFFAOYSA-N 1 0 200.307 1.346 40 0 BDABRO CC(C)[N@H+](C)C[C@@H]1CCC[NH+](CC(=O)[O-])C1 ZINC000079419749 187263342 /nfs/dbraw/zinc/26/33/42/187263342.db2.gz BWKSUZHXOCUDIW-NSHDSACASA-N 1 0 228.336 1.123 40 0 BDABRO CC(C)N(CC[NH3+])C(=O)OC(C)(C)C ZINC000041056107 187264272 /nfs/dbraw/zinc/26/42/72/187264272.db2.gz IBQWNKMAMIQCPF-UHFFFAOYSA-N 1 0 202.298 1.591 40 0 BDABRO CC(C)[N@@H+](CC(=O)[O-])CC1CC[NH+](C)CC1 ZINC000083318589 187267254 /nfs/dbraw/zinc/26/72/54/187267254.db2.gz PPZORSZZOSIHNS-UHFFFAOYSA-N 1 0 228.336 1.123 40 0 BDABRO Clc1ncnc2[nH]c(C3CC[NH2+]CC3)nc21 ZINC000096311444 343667188 /nfs/dbraw/zinc/66/71/88/343667188.db2.gz YWEIJHFAFLFTML-UHFFFAOYSA-N 1 0 237.694 1.473 40 0 BDABRO Cc1nc2ccc(Cl)nc2n1CC[NH+](C)C ZINC000096311479 343667319 /nfs/dbraw/zinc/66/73/19/343667319.db2.gz POQDZLPLNVTHSD-UHFFFAOYSA-N 1 0 238.722 1.955 40 0 BDABRO CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000052399625 187271091 /nfs/dbraw/zinc/27/10/91/187271091.db2.gz CCPXFOOANDNSEE-UHFFFAOYSA-N 1 0 232.327 1.919 40 0 BDABRO COc1ccc(CC(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000054369762 187271822 /nfs/dbraw/zinc/27/18/22/187271822.db2.gz MNRHURYJSIMRMF-NSHDSACASA-N 1 0 248.326 1.058 40 0 BDABRO C[N@@H+]1CCC=C(C(=O)N2CCCCC2)C1 ZINC000067340259 187274290 /nfs/dbraw/zinc/27/42/90/187274290.db2.gz WJLRUBDCDUZSHM-UHFFFAOYSA-N 1 0 208.305 1.261 40 0 BDABRO [NH3+]CCCn1nc(-c2ccsc2)ccc1=O ZINC000575622296 343869338 /nfs/dbraw/zinc/86/93/38/343869338.db2.gz HKGIKKQHCAIZMM-UHFFFAOYSA-N 1 0 235.312 1.321 40 0 BDABRO Cc1ccc(-c2ccc(=O)n(CCC[NH3+])n2)s1 ZINC000575622355 343869402 /nfs/dbraw/zinc/86/94/02/343869402.db2.gz JOAAQZXTVNBOPE-UHFFFAOYSA-N 1 0 249.339 1.629 40 0 BDABRO NC(=O)[C@]1(F)CC[N@H+](Cc2ccccc2)C1 ZINC000575621959 343870440 /nfs/dbraw/zinc/87/04/40/343870440.db2.gz FWXAVFBYVKPAJP-LBPRGKRZSA-N 1 0 222.263 1.086 40 0 BDABRO C[NH2+]CCCc1cnn(C[C@@H]2CCCOC2)c1 ZINC000575623371 343875645 /nfs/dbraw/zinc/87/56/45/343875645.db2.gz NEJLHRHPMYNYHW-ZDUSSCGKSA-N 1 0 237.347 1.462 40 0 BDABRO C[N@@H+]1CCC[C@@H](C(=O)NCc2ccccn2)C1 ZINC000082308278 187281130 /nfs/dbraw/zinc/28/11/30/187281130.db2.gz IZSRBHYFXFOCTB-LLVKDONJSA-N 1 0 233.315 1.040 40 0 BDABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000095644224 187288025 /nfs/dbraw/zinc/28/80/25/187288025.db2.gz IHGSPMZBMBIGHI-IUCAKERBSA-N 1 0 214.309 1.639 40 0 BDABRO CCC(CC)C[N@@H+]1CCC[C@@]2(CN(C)C2=O)C1 ZINC000585099487 344131981 /nfs/dbraw/zinc/13/19/81/344131981.db2.gz NIQMTLBHLWFNEI-CQSZACIVSA-N 1 0 238.375 1.977 40 0 BDABRO CC(C)Cc1n[nH]c2c1[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000096510290 187288781 /nfs/dbraw/zinc/28/87/81/187288781.db2.gz WNHOEAOUEBMLGS-DTWKUNHWSA-N 1 0 205.305 1.957 40 0 BDABRO COc1ccc(C[C@H]2C[NH2+]CC[C@@H]2OC)cc1 ZINC000096110578 187289083 /nfs/dbraw/zinc/28/90/83/187289083.db2.gz GCWZGSIOWCEZBB-JSGCOSHPSA-N 1 0 235.327 1.862 40 0 BDABRO C[NH2+]C[C@H]1C[C@@H]1c1ccc2c(c1)CCO2 ZINC000054588835 259373913 /nfs/dbraw/zinc/37/39/13/259373913.db2.gz NLTVUVKDKUBQBA-VXGBXAGGSA-N 1 0 203.285 1.944 40 0 BDABRO Cn1ccnc1-c1nccnc1C[C@H]1CC[NH2+]C1 ZINC000585178895 344276305 /nfs/dbraw/zinc/27/63/05/344276305.db2.gz HLZKMUAPZWHUAR-SNVBAGLBSA-N 1 0 243.314 1.029 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@@]2(CCC(=O)N2)CC1 ZINC000096071912 344366492 /nfs/dbraw/zinc/36/64/92/344366492.db2.gz JIRWYTLNGSMKPY-CYBMUJFWSA-N 1 0 224.348 1.777 40 0 BDABRO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)OC(C)(C)C ZINC000084237628 344367975 /nfs/dbraw/zinc/36/79/75/344367975.db2.gz XNAMFDCOLGVSON-VHSXEESVSA-N 1 0 228.336 1.981 40 0 BDABRO CC(C)C[N@H+](C(C)C)[C@H]1CNCC[C@]1(C)O ZINC000300919548 537867960 /nfs/dbraw/zinc/86/79/60/537867960.db2.gz UBSCCVCQHXEPTB-STQMWFEESA-N 1 0 228.380 1.466 40 0 BDABRO CN(C)c1nc([C@H]2CC[NH2+]C2)cn2cccc12 ZINC000205689153 345180704 /nfs/dbraw/zinc/18/07/04/345180704.db2.gz CIVCTDFSSGJRIA-JTQLQIEISA-N 1 0 230.315 1.477 40 0 BDABRO CC(C)[C@H]([NH3+])Cn1nc(C2CC2)ccc1=O ZINC000013566201 187307474 /nfs/dbraw/zinc/30/74/74/187307474.db2.gz HOBMAQPFPQCWMD-SNVBAGLBSA-N 1 0 221.304 1.104 40 0 BDABRO CC[C@]1(C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000230571061 345913020 /nfs/dbraw/zinc/91/30/20/345913020.db2.gz NVQBEHUDULEKJC-LLVKDONJSA-N 1 0 214.309 1.735 40 0 BDABRO CCCCOC[C@H](O)C[NH+]1CCCC1 ZINC000005027507 346258537 /nfs/dbraw/zinc/25/85/37/346258537.db2.gz HKVKWLILAGJVST-LLVKDONJSA-N 1 0 201.310 1.260 40 0 BDABRO COc1ccc([C@@]2(C)CC(C[NH3+])=NO2)cc1 ZINC000222551248 187319443 /nfs/dbraw/zinc/31/94/43/187319443.db2.gz ZTGJYRPVLBEVIT-GFCCVEGCSA-N 1 0 220.272 1.645 40 0 BDABRO CC[NH+](CC)CC(=O)Nc1nccs1 ZINC000001669903 346462968 /nfs/dbraw/zinc/46/29/68/346462968.db2.gz QEHNJBDMKPSVNX-UHFFFAOYSA-N 1 0 213.306 1.423 40 0 BDABRO Cc1cccc(N(CCO)CCC(N)=[NH2+])c1 ZINC000026898034 179119731 /nfs/dbraw/zinc/11/97/31/179119731.db2.gz UVDRIGVPVLDHSK-UHFFFAOYSA-N 1 0 221.304 1.120 40 0 BDABRO C/C=C(\C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000584908153 346642044 /nfs/dbraw/zinc/64/20/44/346642044.db2.gz YSCOJTNVPYCWEG-LTJOXERKSA-N 1 0 210.321 1.538 40 0 BDABRO Cc1cccc2c1S(=O)(=O)CC[C@H]2[NH3+] ZINC000037665952 179222221 /nfs/dbraw/zinc/22/22/21/179222221.db2.gz MRMRUQSFIPICFN-SECBINFHSA-N 1 0 211.286 1.172 40 0 BDABRO Cc1cc(N(C)C)cc(C2CC[NH2+]CC2)n1 ZINC000205684321 348575343 /nfs/dbraw/zinc/57/53/43/348575343.db2.gz OXUOEKFAAJVXEQ-UHFFFAOYSA-N 1 0 219.332 1.923 40 0 BDABRO C[NH+]1CCC(Nc2ccnc(Cl)n2)CC1 ZINC000038579697 348714106 /nfs/dbraw/zinc/71/41/06/348714106.db2.gz GYVOTRXLWKYRBN-UHFFFAOYSA-N 1 0 226.711 1.636 40 0 BDABRO Cc1nc([C@H]2CCC[N@H+](C)C2)cc(N(C)C)n1 ZINC000072359937 180056302 /nfs/dbraw/zinc/05/63/02/180056302.db2.gz XAEUGDBPJNTPAQ-NSHDSACASA-N 1 0 234.347 1.660 40 0 BDABRO Cc1nc([C@H]2CCC[N@@H+]2C)cc(N(C)C)n1 ZINC000257328902 180057246 /nfs/dbraw/zinc/05/72/46/180057246.db2.gz XHNQJICVNIGWNX-LLVKDONJSA-N 1 0 220.320 1.618 40 0 BDABRO CO[C@@H]1C[NH2+]CC[C@@H]1Cc1ccc(F)cc1 ZINC000221729987 350218472 /nfs/dbraw/zinc/21/84/72/350218472.db2.gz NJCACKROFASBLF-DGCLKSJQSA-N 1 0 223.291 1.993 40 0 BDABRO Cc1noc([C@@H]2C[NH2+]C[C@H]2c2ccccc2)n1 ZINC000328579576 180497404 /nfs/dbraw/zinc/49/74/04/180497404.db2.gz PORBAEOFKOZWTA-NWDGAFQWSA-N 1 0 229.283 1.849 40 0 BDABRO Clc1ccc(OC[C@@H]2CCC[NH2+]C2)nn1 ZINC000040434755 180583449 /nfs/dbraw/zinc/58/34/49/180583449.db2.gz JLYCDIMIEVEPNF-MRVPVSSYSA-N 1 0 227.695 1.508 40 0 BDABRO Cn1cc[n+](C(F)(F)Br)c1 ZINC000043879554 363145989 /nfs/dbraw/zinc/14/59/89/363145989.db2.gz MQLWWTXMFNRSPZ-UHFFFAOYSA-N 1 0 212.017 1.214 40 0 BDABRO [NH3+]Cc1ccc(NC(=O)N2CCOCC2)cc1 ZINC000036720778 363185144 /nfs/dbraw/zinc/18/51/44/363185144.db2.gz BUDRLINZJGWRAY-UHFFFAOYSA-N 1 0 235.287 1.009 40 0 BDABRO C[n+]1ccccc1[C@@H](O)Cc1ccncc1 ZINC000004934579 187986712 /nfs/dbraw/zinc/98/67/12/187986712.db2.gz DNNWJRSKKYUWBA-ZDUSSCGKSA-N 1 0 215.276 1.182 40 0 BDABRO CC(C)Cn1nccc1[C@H]1CCCN1CC[NH3+] ZINC000022763045 188006089 /nfs/dbraw/zinc/00/60/89/188006089.db2.gz UAGVVJXWBKWAPK-GFCCVEGCSA-N 1 0 236.363 1.635 40 0 BDABRO CC(C)[N@@H+]1CC[C@@H](CO)N(C)c2ncccc2C1 ZINC000225492952 188009791 /nfs/dbraw/zinc/00/97/91/188009791.db2.gz KEZURXRXESIDMO-ZDUSSCGKSA-N 1 0 249.358 1.493 40 0 biogenic,in-vitro BDABRO CC(C)(C)c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000062256950 188013723 /nfs/dbraw/zinc/01/37/23/188013723.db2.gz ZXAADZDDAQZNCO-MRVPVSSYSA-N 1 0 209.293 1.834 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])C[C@@H]1CF ZINC000066351311 188014581 /nfs/dbraw/zinc/01/45/81/188014581.db2.gz QJBVSYYFYCEZGQ-JGVFFNPUSA-N 1 0 218.272 1.293 40 0 BDABRO O=C1C[C@]2(CN1)CCCC[N@@H+]2CC1CC1 ZINC000306141608 188045841 /nfs/dbraw/zinc/04/58/41/188045841.db2.gz WCAQEUUVJFNFQU-LBPRGKRZSA-N 1 0 208.305 1.141 40 0 BDABRO NC(=[NH2+])SCC(=O)Nc1ccccc1 ZINC000004129094 181191414 /nfs/dbraw/zinc/19/14/14/181191414.db2.gz ZYDMFVWHHZHMCL-UHFFFAOYSA-N 1 0 209.274 1.252 40 0 BDABRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)C1 ZINC000019479144 356513251 /nfs/dbraw/zinc/51/32/51/356513251.db2.gz QYFKHMNKZMJIHM-GMTAPVOTSA-N 1 0 212.337 1.618 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)s1 ZINC000396889226 357871093 /nfs/dbraw/zinc/87/10/93/357871093.db2.gz WRHCTXZASIJEAF-IUCAKERBSA-N 1 0 225.313 1.533 40 0 BDABRO O=C1CCC(=O)N1[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005382569 360486569 /nfs/dbraw/zinc/48/65/69/360486569.db2.gz UJZWYHABZLDLFD-QWRGUYRKSA-N 1 0 236.315 1.152 40 0 biogenic,in-vitro BDABRO CC(C)(C)OC(=O)CC[NH2+]C[C@H]1CCCO1 ZINC000005066403 200811381 /nfs/dbraw/zinc/81/13/81/200811381.db2.gz PDRZELNRIGBAJE-SNVBAGLBSA-N 1 0 229.320 1.487 40 0 BDABRO [NH3+]C/C=C1\CCc2ccc3c(c21)CCO3 ZINC000100451425 181323868 /nfs/dbraw/zinc/32/38/68/181323868.db2.gz RYYNBBSULBXPJL-BJMVGYQFSA-N 1 0 201.269 1.910 40 0 in-vitro BDABRO [NH3+]C1CCN(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096517190 181344725 /nfs/dbraw/zinc/34/47/25/181344725.db2.gz HTTPVNLIQSVJOA-UHFFFAOYSA-N 1 0 243.314 1.399 40 0 BDABRO [NH3+]CC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000032014165 181347801 /nfs/dbraw/zinc/34/78/01/181347801.db2.gz MKTNWILNFFNLDK-UHFFFAOYSA-N 1 0 222.263 1.275 40 0 BDABRO [NH3+]CC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000004540091 181356651 /nfs/dbraw/zinc/35/66/51/181356651.db2.gz YLYCNBBTCKLBGZ-UHFFFAOYSA-N 1 0 247.323 1.631 40 0 BDABRO [NH3+]CC1([C@@H](O)c2cccc(F)c2)CCOCC1 ZINC000085395853 181361443 /nfs/dbraw/zinc/36/14/43/181361443.db2.gz CLIHHDMJTLSWAH-LBPRGKRZSA-N 1 0 239.290 1.615 40 0 BDABRO N[C@H]1N=C(C[NH3+])Nc2sc3c(c21)CCCC3 ZINC000020018497 181363944 /nfs/dbraw/zinc/36/39/44/181363944.db2.gz IZBCIPAUZYHODG-JTQLQIEISA-N 1 0 236.344 1.367 40 0 BDABRO [NH3+]CCN(Cc1cccc(F)c1)C1CC1 ZINC000041056956 181390706 /nfs/dbraw/zinc/39/07/06/181390706.db2.gz BIFMKOHIDLBJBB-UHFFFAOYSA-N 1 0 208.280 1.749 40 0 BDABRO [NH3+]CCNc1ccc(Br)cc1 ZINC000020232196 181398644 /nfs/dbraw/zinc/39/86/44/181398644.db2.gz CEMXHWWEYABJLX-UHFFFAOYSA-N 1 0 215.094 1.820 40 0 BDABRO [NH3+]C[C@@H](CC(=O)N1CCCCC1)c1ccco1 ZINC000062702218 181418199 /nfs/dbraw/zinc/41/81/99/181418199.db2.gz SPFITKNSTBTZNS-LLVKDONJSA-N 1 0 236.315 1.725 40 0 BDABRO c1cc(C[C@@H]2COC3(C2)CC[NH2+]CC3)ccn1 ZINC000205674849 368357147 /nfs/dbraw/zinc/35/71/47/368357147.db2.gz MFOLIGOOXGWYAO-ZDUSSCGKSA-N 1 0 232.327 1.783 40 0 BDABRO Cn1cc(-c2nccnc2[C@H]2CCC[NH2+]C2)cn1 ZINC000205690518 368357901 /nfs/dbraw/zinc/35/79/01/368357901.db2.gz DGKGYXVUZRSMMZ-JTQLQIEISA-N 1 0 243.314 1.344 40 0 BDABRO [NH3+]C[C@@H]1C[C@H]1CN1CCc2ccccc21 ZINC000110748810 181438958 /nfs/dbraw/zinc/43/89/58/181438958.db2.gz LEMZYZWTWUEHLL-RYUDHWBXSA-N 1 0 202.301 1.644 40 0 BDABRO [NH3+]C[C@@]1(CO)C[C@H]1c1c(F)cccc1Cl ZINC000062713505 181441113 /nfs/dbraw/zinc/44/11/13/181441113.db2.gz OOIYCSVCKAYPSO-WRWORJQWSA-N 1 0 229.682 1.904 40 0 BDABRO N[C@@H](C[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000110763467 369977786 /nfs/dbraw/zinc/97/77/86/369977786.db2.gz GFVQRGJVAZDQEI-STQMWFEESA-N 1 0 220.316 1.143 40 0 BDABRO c1cncc(C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000205697060 369997679 /nfs/dbraw/zinc/99/76/79/369997679.db2.gz UPQPRQBJCVILDJ-CYBMUJFWSA-N 1 0 232.327 1.783 40 0 BDABRO C[C@](O)(C1CCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000242575020 259545008 /nfs/dbraw/zinc/54/50/08/259545008.db2.gz NOVWYCUQKFQOHT-RYUDHWBXSA-N 1 0 213.321 1.306 40 0 BDABRO C[C@@](O)(c1cccc(C[NH3+])c1)C(F)(F)F ZINC000256052778 370636947 /nfs/dbraw/zinc/63/69/47/370636947.db2.gz OPYXESNODAYKJC-SECBINFHSA-N 1 0 219.206 1.915 40 0 BDABRO O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC000096227851 182140509 /nfs/dbraw/zinc/14/05/09/182140509.db2.gz XSHGYKXXLANFGW-GFCCVEGCSA-N 1 0 236.359 1.683 40 0 BDABRO O=C(N[C@@H]1C[NH2+]C[C@@H]1F)OCc1ccccc1 ZINC000083317141 182315111 /nfs/dbraw/zinc/31/51/11/182315111.db2.gz KZWUUEWPRQZDNF-WDEREUQCSA-N 1 0 238.262 1.223 40 0 BDABRO O=C1CC[C@@]2(CCC[N@H+](CC3CC3)CC2)N1 ZINC000096047478 182750986 /nfs/dbraw/zinc/75/09/86/182750986.db2.gz YPRDJHRFVNZYKL-CYBMUJFWSA-N 1 0 222.332 1.531 40 0 BDABRO O=C1c2cc(F)ccc2CN1C1CC[NH2+]CC1 ZINC000098214141 182843652 /nfs/dbraw/zinc/84/36/52/182843652.db2.gz BOGBEHQXBBNZEQ-UHFFFAOYSA-N 1 0 234.274 1.534 40 0 BDABRO O=C1c2cc(F)ccc2CN1[C@@H]1CCC[NH2+]C1 ZINC000098213938 182843909 /nfs/dbraw/zinc/84/39/09/182843909.db2.gz MHCSBVSQWPBNMT-LLVKDONJSA-N 1 0 234.274 1.534 40 0 BDABRO OCCCC[NH2+]Cc1ccnn1C(F)F ZINC000256054828 183052248 /nfs/dbraw/zinc/05/22/48/183052248.db2.gz XZFRUKOTBXOUIP-UHFFFAOYSA-N 1 0 219.235 1.140 40 0 BDABRO OCC[N@@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257289103 183075433 /nfs/dbraw/zinc/07/54/33/183075433.db2.gz PWZGHFMXMPKTOM-CYBMUJFWSA-N 1 0 220.316 1.471 40 0 BDABRO OCC[NH2+]CCNCc1cccc(Cl)c1 ZINC000023263505 183078230 /nfs/dbraw/zinc/07/82/30/183078230.db2.gz QSPQPDXQYALCRS-UHFFFAOYSA-N 1 0 228.723 1.012 40 0 BDABRO OCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000036904566 183079366 /nfs/dbraw/zinc/07/93/66/183079366.db2.gz LFAKEOCEKASBCZ-AWEZNQCLSA-N 1 0 234.343 1.233 40 0 BDABRO CCCCc1nsc(N2CC[NH2+]CC2)n1 ZINC000216641920 169032036 /nfs/dbraw/zinc/03/20/36/169032036.db2.gz LALQZRSWETUUQY-UHFFFAOYSA-N 1 0 226.349 1.290 40 0 BDABRO CCCCc1noc([C@H]2CCC[NH2+]C2)n1 ZINC000057340776 169032353 /nfs/dbraw/zinc/03/23/53/169032353.db2.gz MFLJZBDCKNCFEL-VIFPVBQESA-N 1 0 209.293 1.879 40 0 BDABRO Oc1cccc(C[NH2+]Cc2ccnn2CCF)c1 ZINC000256051215 183291792 /nfs/dbraw/zinc/29/17/92/183291792.db2.gz IFRILGJRMYLAKT-UHFFFAOYSA-N 1 0 249.289 1.848 40 0 BDABRO c1c2c(cc3c1OCCCO3)C[NH2+]CC2 ZINC000017043791 183321864 /nfs/dbraw/zinc/32/18/64/183321864.db2.gz WXZVSVQPZPDCHX-UHFFFAOYSA-N 1 0 205.257 1.494 40 0 BDABRO c1cc2c(c(NC3=[NH+]CCN3)c1)CCC2 ZINC000000001563 183365762 /nfs/dbraw/zinc/36/57/62/183365762.db2.gz KUCWWEPJRBANHL-UHFFFAOYSA-N 1 0 201.273 1.546 40 0 in-man BDABRO CCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000036948925 169262521 /nfs/dbraw/zinc/26/25/21/169262521.db2.gz LAZUWYJKXHHJMZ-SNVBAGLBSA-N 1 0 213.277 1.157 40 0 BDABRO CCC[NH2+][C@@H]1COc2ccc(OC)cc2[C@H]1O ZINC000034293672 169282864 /nfs/dbraw/zinc/28/28/64/169282864.db2.gz SPEFFLIWCHNCQG-DGCLKSJQSA-N 1 0 237.299 1.489 40 0 BDABRO c1cncc(O[C@H]2COC3(C2)CC[NH2+]CC3)c1 ZINC000101187238 183497179 /nfs/dbraw/zinc/49/71/79/183497179.db2.gz HKKPZKRZZKJUAT-GFCCVEGCSA-N 1 0 234.299 1.372 40 0 BDABRO c1nc(CC[C@@H]2CCC[NH2+]2)cc(N2CCCC2)n1 ZINC000072386392 183527793 /nfs/dbraw/zinc/52/77/93/183527793.db2.gz SIOUGOUHHPIPOM-LBPRGKRZSA-N 1 0 246.358 1.761 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]2CC([NH3+])C[C@@H]2C1 ZINC000076675035 166657434 /nfs/dbraw/zinc/65/74/34/166657434.db2.gz DPYIUHWPQGIBSS-ULKQDVFKSA-N 1 0 226.320 1.591 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+][C@]2(C)C1 ZINC000238210053 166658066 /nfs/dbraw/zinc/65/80/66/166658066.db2.gz ODUCJWIZYUPUQF-LDYMZIIASA-N 1 0 212.293 1.215 40 0 BDABRO COC(=O)c1ccc(C)c(NC(N)=[NH2+])c1 ZINC000066325532 383857416 /nfs/dbraw/zinc/85/74/16/383857416.db2.gz KUPZXJAHIUUBLH-UHFFFAOYSA-N 1 0 207.233 1.087 40 0 BDABRO CN(C)CC(C[NH+](C)C)C(=O)C1CCCCC1 ZINC000001607752 383912726 /nfs/dbraw/zinc/91/27/26/383912726.db2.gz PVCUILYNZQXZAR-UHFFFAOYSA-N 1 0 240.391 1.875 40 0 BDABRO CC(C)(C)c1cnc(CN2CCC[NH2+]CC2)o1 ZINC000036946310 383919579 /nfs/dbraw/zinc/91/95/79/383919579.db2.gz XESCUZNIZFLSPS-UHFFFAOYSA-N 1 0 237.347 1.767 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccccc1F ZINC000036134908 383882559 /nfs/dbraw/zinc/88/25/59/383882559.db2.gz BJZRSACLAXBWJB-LBPRGKRZSA-N 1 0 238.306 1.767 40 0 BDABRO CN(CCO)C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079393489 384134360 /nfs/dbraw/zinc/13/43/60/384134360.db2.gz TUQQZFCXMSRXLT-OAHLLOKOSA-N 1 0 248.370 1.575 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@H](OCC[NH3+])C1 ZINC000079390624 384132684 /nfs/dbraw/zinc/13/26/84/384132684.db2.gz VNDOMACRDRQKQF-JTQLQIEISA-N 1 0 244.335 1.361 40 0 BDABRO CCOc1ccc(C[NH2+][C@H](CC)CO)cc1 ZINC000005908183 384138706 /nfs/dbraw/zinc/13/87/06/384138706.db2.gz LVAQNOIQAJZSPF-GFCCVEGCSA-N 1 0 223.316 1.946 40 0 BDABRO CC(C)N(C)[C@@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079418522 384141821 /nfs/dbraw/zinc/14/18/21/384141821.db2.gz BKJJZGNQAKTVIZ-NWDGAFQWSA-N 1 0 214.353 1.220 40 0 BDABRO CN(C)c1cc([C@H]2CCC[NH2+]C2)ccn1 ZINC000072344139 384208738 /nfs/dbraw/zinc/20/87/38/384208738.db2.gz SJBZEOCNDLWMEO-NSHDSACASA-N 1 0 205.305 1.615 40 0 BDABRO Cc1nc(-c2cncnc2C2CC[NH2+]CC2)no1 ZINC000072343760 384208769 /nfs/dbraw/zinc/20/87/69/384208769.db2.gz NVYJBQRMTLJSMH-UHFFFAOYSA-N 1 0 245.286 1.302 40 0 BDABRO c1cn(-c2cncc([C@@H]3CCC[NH2+]3)n2)cn1 ZINC000072355925 384211300 /nfs/dbraw/zinc/21/13/00/384211300.db2.gz ZJMUEANJXBMHLE-VIFPVBQESA-N 1 0 215.260 1.087 40 0 BDABRO CNc1cc(C2CC[NH+](C)CC2)nc(C)n1 ZINC000072350701 384211805 /nfs/dbraw/zinc/21/18/05/384211805.db2.gz MNUMBBCTWCSIGV-UHFFFAOYSA-N 1 0 220.320 1.636 40 0 BDABRO CC(C)[N@@H+]1CCC[C@H](c2cc(CCO)n[nH]2)C1 ZINC000072381383 384216422 /nfs/dbraw/zinc/21/64/22/384216422.db2.gz UKCXFCRMNMARLP-NSHDSACASA-N 1 0 237.347 1.532 40 0 BDABRO c1cc(-c2cncnc2)nnc1C[C@@H]1CC[NH2+]C1 ZINC000072388943 384220183 /nfs/dbraw/zinc/22/01/83/384220183.db2.gz IKMJDSAUGVATOV-JTQLQIEISA-N 1 0 241.298 1.086 40 0 BDABRO CC(C)[C@H]([NH3+])c1nc2cnccc2n1C ZINC000084132263 384225796 /nfs/dbraw/zinc/22/57/96/384225796.db2.gz UHPIGYAHGAVAFK-JTQLQIEISA-N 1 0 204.277 1.624 40 0 BDABRO C[NH2+][C@@H](Cc1ccc2c(c1)OCO2)C1CC1 ZINC000043133332 384264135 /nfs/dbraw/zinc/26/41/35/384264135.db2.gz DNROCNZQNQSVOG-NSHDSACASA-N 1 0 219.284 1.956 40 0 in-vitro BDABRO CCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC000074920964 384312311 /nfs/dbraw/zinc/31/23/11/384312311.db2.gz RMAZAGCGEQKIDT-UHFFFAOYSA-N 1 0 212.337 1.587 40 0 BDABRO C[N@H+](Cc1ccccc1)C1CCN(CCO)CC1 ZINC000083318805 384288978 /nfs/dbraw/zinc/28/89/78/384288978.db2.gz KADJOZPZGAUREF-UHFFFAOYSA-N 1 0 248.370 1.575 40 0 BDABRO CSc1c2c(cc3c1[C@H](O)C[NH2+]C3)OCO2 ZINC000095470382 384377123 /nfs/dbraw/zinc/37/71/23/384377123.db2.gz ZVUQNPWHQPXHEY-SSDOTTSWSA-N 1 0 239.296 1.274 40 0 BDABRO Cc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)c(C)c1 ZINC000000203660 384380348 /nfs/dbraw/zinc/38/03/48/384380348.db2.gz PMRCTNJGDMXAPA-UHFFFAOYSA-N 1 0 245.330 1.489 40 0 BDABRO CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CC1CC1 ZINC000096260281 384447065 /nfs/dbraw/zinc/44/70/65/384447065.db2.gz HITCERALPFOPJV-CYBMUJFWSA-N 1 0 249.358 1.766 40 0 BDABRO Cc1ccc(CN2CCO[C@@H]3C[NH2+]CC[C@H]32)o1 ZINC000096054660 384430213 /nfs/dbraw/zinc/43/02/13/384430213.db2.gz JRSCEYUEFFPVAM-CHWSQXEVSA-N 1 0 236.315 1.151 40 0 BDABRO CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccncc1 ZINC000096057765 384431137 /nfs/dbraw/zinc/43/11/37/384431137.db2.gz QIBXBTLMILGEOL-BFHYXJOUSA-N 1 0 248.326 1.460 40 0 BDABRO COC[C@@]12CCCO[C@H]1CC[N@H+](CC1CC1)C2 ZINC000096056769 384432531 /nfs/dbraw/zinc/43/25/31/384432531.db2.gz UDHXMYVILOGCFL-KBPBESRZSA-N 1 0 239.359 1.914 40 0 BDABRO CCOC[C@@H]1C[N@@H+](C(C)C)Cc2nnn(C)c21 ZINC000096198521 384443140 /nfs/dbraw/zinc/44/31/40/384443140.db2.gz ZFZUHYPCCNXJJE-JTQLQIEISA-N 1 0 238.335 1.159 40 0 BDABRO O=C(C1CCC1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC000096202657 384443306 /nfs/dbraw/zinc/44/33/06/384443306.db2.gz NTXLTPCKYMVSRS-UHFFFAOYSA-N 1 0 248.370 1.731 40 0 BDABRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH2+]CC2 ZINC000096199659 384443408 /nfs/dbraw/zinc/44/34/08/384443408.db2.gz GHRYSJPLDYPNCU-CYBMUJFWSA-N 1 0 244.338 1.755 40 0 BDABRO C(OC[C@@]12CCC[C@@H]1C[NH2+]C2)C1CCOCC1 ZINC000096218543 384443807 /nfs/dbraw/zinc/44/38/07/384443807.db2.gz YNZTYLILQNMQNM-KGLIPLIRSA-N 1 0 239.359 1.819 40 0 BDABRO Cc1cc(C[NH3+])ccc1[C@H]1CNC(=O)C1 ZINC000199775697 384539982 /nfs/dbraw/zinc/53/99/82/384539982.db2.gz QVNSIWBLVKUFED-SNVBAGLBSA-N 1 0 204.273 1.057 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H]2[NH3+] ZINC000100615499 384648322 /nfs/dbraw/zinc/64/83/22/384648322.db2.gz DGXZHHKGGSODLS-AYMMMOKOSA-N 1 0 212.293 1.201 40 0 BDABRO [NH3+]C[C@@H](c1cccc(F)c1)N1CCCC1 ZINC000019259837 384661741 /nfs/dbraw/zinc/66/17/41/384661741.db2.gz GDHHNWNPIHRNHF-LBPRGKRZSA-N 1 0 208.280 1.921 40 0 BDABRO [NH3+][C@H](CO)Cc1ccc(Cl)c(Cl)c1 ZINC000044463712 384735140 /nfs/dbraw/zinc/73/51/40/384735140.db2.gz SDQHHIMPZYXBMS-ZETCQYMHSA-N 1 0 220.099 1.856 40 0 BDABRO CC[NH+](CC)CCNCc1c(C)cnn1C ZINC000256052119 384874955 /nfs/dbraw/zinc/87/49/55/384874955.db2.gz LZJVXKQSSCNGNW-UHFFFAOYSA-N 1 0 224.352 1.160 40 0 BDABRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)CO)CC(C)(C)C1 ZINC000004803903 384999237 /nfs/dbraw/zinc/99/92/37/384999237.db2.gz IMTMQBHEIQEOEX-VWYCJHECSA-N 1 0 215.337 1.144 40 0 BDABRO CCOc1c(C)cccc1C[NH2+]CCCO ZINC000095094842 384964104 /nfs/dbraw/zinc/96/41/04/384964104.db2.gz DJTRVQSQVJDWOS-UHFFFAOYSA-N 1 0 223.316 1.866 40 0 BDABRO C[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207642 385062283 /nfs/dbraw/zinc/06/22/83/385062283.db2.gz CWISESPKYLRZOQ-VHSXEESVSA-N 1 0 228.336 1.994 40 0 BDABRO C[C@@H]([NH3+])c1nocc1C(=O)Nc1ccccc1 ZINC000072208407 385062316 /nfs/dbraw/zinc/06/23/16/385062316.db2.gz NLNZXIPKABXXRO-MRVPVSSYSA-N 1 0 231.255 1.947 40 0 BDABRO CNc1ccc([C@@H]2CCCCN2C=O)cn1 ZINC000072212508 385074129 /nfs/dbraw/zinc/07/41/29/385074129.db2.gz HMQNKENMCPIOII-NSHDSACASA-N 1 0 219.288 1.807 40 0 BDABRO Nc1ncc(C[NH2+]Cc2ccc(F)cc2)cn1 ZINC000062717379 385032387 /nfs/dbraw/zinc/03/23/87/385032387.db2.gz LZTNFGALVBSNJC-UHFFFAOYSA-N 1 0 232.262 1.488 40 0 BDABRO Cc1cc([C@H](C)O)cnc1N1CC[NH+](C)CC1 ZINC000072222560 385110713 /nfs/dbraw/zinc/11/07/13/385110713.db2.gz KNXNQCRDKXFHLW-NSHDSACASA-N 1 0 235.331 1.195 40 0 BDABRO C=Cc1cnc(N2CCOCC2)cc1C ZINC000072223561 385112636 /nfs/dbraw/zinc/11/26/36/385112636.db2.gz GDRDEGOLDNUWPV-UHFFFAOYSA-N 1 0 204.273 1.870 40 0 BDABRO CC[C@@H](O)c1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000072225548 385115768 /nfs/dbraw/zinc/11/57/68/385115768.db2.gz UFXCPFQRRJYCDV-CYBMUJFWSA-N 1 0 249.358 1.667 40 0 BDABRO C=Cc1ccc(N2CC[NH+](C)CC2)nc1C ZINC000072224658 385119237 /nfs/dbraw/zinc/11/92/37/385119237.db2.gz IQUSFMVFMBOSTK-UHFFFAOYSA-N 1 0 217.316 1.785 40 0 BDABRO C[C@H]([NH3+])c1ccc(I)nc1 ZINC000072225934 385125705 /nfs/dbraw/zinc/12/57/05/385125705.db2.gz WIMAFHBZABIJEA-YFKPBYRVSA-N 1 0 248.067 1.706 40 0 BDABRO C[N@@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216147 385095240 /nfs/dbraw/zinc/09/52/40/385095240.db2.gz RANFLFIXFQBPPO-CYBMUJFWSA-N 1 0 247.342 1.685 40 0 BDABRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000062619112 385177857 /nfs/dbraw/zinc/17/78/57/385177857.db2.gz WDVBCUPJKFNTEH-SECBINFHSA-N 1 0 238.718 1.774 40 0 BDABRO [NH3+]C[C@H]1C[C@H]1CN1CCc2ccccc21 ZINC000096509407 385240937 /nfs/dbraw/zinc/24/09/37/385240937.db2.gz LEMZYZWTWUEHLL-NEPJUHHUSA-N 1 0 202.301 1.644 40 0 BDABRO C[C@H]([NH3+])c1nc2cnccc2n1CC1CC1 ZINC000096510509 385250741 /nfs/dbraw/zinc/25/07/41/385250741.db2.gz SZWQIKMZXHZTEK-QMMMGPOBSA-N 1 0 216.288 1.861 40 0 BDABRO [NH3+][C@@H]1CCN(c2cc(C3CC3)nc(C3CC3)n2)C1 ZINC000096517002 385254712 /nfs/dbraw/zinc/25/47/12/385254712.db2.gz UUSMPJPFXRDPOK-LLVKDONJSA-N 1 0 244.342 1.769 40 0 BDABRO CSCC[C@@H]([NH3+])CN1CCC(C)CC1 ZINC000096523860 385267151 /nfs/dbraw/zinc/26/71/51/385267151.db2.gz JOVUEJYZHBTTQW-LLVKDONJSA-N 1 0 216.394 1.799 40 0 BDABRO CN(C)c1cccc(CN2CCC[C@@H]([NH3+])C2)c1 ZINC000096523548 385267163 /nfs/dbraw/zinc/26/71/63/385267163.db2.gz OGPVBHSXTKXYMV-CYBMUJFWSA-N 1 0 233.359 1.676 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1ccc(N)cc1 ZINC000096524824 385275318 /nfs/dbraw/zinc/27/53/18/385275318.db2.gz KWKNNVLPBMNHNZ-KCJUWKMLSA-N 1 0 242.344 1.092 40 0 BDABRO C[C@@H]1CCc2nnc(N3CCC([NH3+])CC3)cc2C1 ZINC000096530195 385285545 /nfs/dbraw/zinc/28/55/45/385285545.db2.gz RBYXHGVRHUGPGW-SNVBAGLBSA-N 1 0 246.358 1.529 40 0 BDABRO Cc1noc([C@@H]2C[NH2+]C[C@H]2c2cccnc2)n1 ZINC000328579741 385488279 /nfs/dbraw/zinc/48/82/79/385488279.db2.gz YZAPMRNPFAYYTE-WDEREUQCSA-N 1 0 230.271 1.244 40 0 BDABRO CC[NH+](CC)CCn1cccc(C=O)c1=O ZINC000095098133 385486477 /nfs/dbraw/zinc/48/64/77/385486477.db2.gz XSABPTXSXYAZHO-UHFFFAOYSA-N 1 0 222.288 1.003 40 0 BDABRO Cc1noc([C@@H]2C[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000328579578 385491726 /nfs/dbraw/zinc/49/17/26/385491726.db2.gz PORBAEOFKOZWTA-VXGBXAGGSA-N 1 0 229.283 1.849 40 0 BDABRO O=C(/C=C/c1ccccc1)N1CCC[NH2+]CC1 ZINC000019510598 385513811 /nfs/dbraw/zinc/51/38/11/385513811.db2.gz VUGSYNRZGNEQFS-BQYQJAHWSA-N 1 0 230.311 1.522 40 0 BDABRO CCSc1ncc(C[NH2+][C@@H](CC)CO)cn1 ZINC000062717290 385711901 /nfs/dbraw/zinc/71/19/01/385711901.db2.gz FEXQRJLPQBHODN-JTQLQIEISA-N 1 0 241.360 1.449 40 0 BDABRO CC(C)(C)OC(=O)N1CCSC[C@H]1C[NH3+] ZINC000071478969 385730797 /nfs/dbraw/zinc/73/07/97/385730797.db2.gz DDVWZKBCRRKHPY-MRVPVSSYSA-N 1 0 232.349 1.298 40 0 BDABRO Cc1nc(-c2cc[nH]n2)cc([C@H]2CC[NH2+]C2)n1 ZINC000257211788 385752889 /nfs/dbraw/zinc/75/28/89/385752889.db2.gz CAJUSJOKGTZAJQ-VIFPVBQESA-N 1 0 229.287 1.252 40 0 BDABRO Cc1nc(COc2ccccc2)[nH]c(=O)c1C[NH3+] ZINC000213202587 385764057 /nfs/dbraw/zinc/76/40/57/385764057.db2.gz MMOWDCPRUITUMO-UHFFFAOYSA-N 1 0 245.282 1.116 40 0 BDABRO c1cc([C@@H]2CC[N@@H+](Cc3cncnc3)C2)n[nH]1 ZINC000257335315 385764316 /nfs/dbraw/zinc/76/43/16/385764316.db2.gz YJQHYZPTYGZSCU-LLVKDONJSA-N 1 0 229.287 1.189 40 0 BDABRO O=C1CCC[C@H]2[NH2+]C[C@H](c3ccccc3)[C@H]2N1 ZINC000212420302 385722580 /nfs/dbraw/zinc/72/25/80/385722580.db2.gz VQVPWKVKPQWWHG-YRGRVCCFSA-N 1 0 230.311 1.411 40 0 BDABRO [NH3+]CCc1cccnc1Br ZINC000034455380 385815850 /nfs/dbraw/zinc/81/58/50/385815850.db2.gz UJORRABWNOHMTO-UHFFFAOYSA-N 1 0 201.067 1.345 40 0 BDABRO c1csc(C[NH2+]C[C@H]2CCc3nccn32)n1 ZINC000306144403 385991577 /nfs/dbraw/zinc/99/15/77/385991577.db2.gz ZEHZGZIBEODUOY-SECBINFHSA-N 1 0 234.328 1.617 40 0 BDABRO CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]([NH3+])CC[C@@H]21 ZINC000306143400 385992772 /nfs/dbraw/zinc/99/27/72/385992772.db2.gz YBKQTUGFQHAILU-GUBZILKMSA-N 1 0 242.319 1.112 40 0 BDABRO [NH3+][C@@H]1CCC(=O)N[C@H]1c1ccccc1F ZINC000057495243 385932501 /nfs/dbraw/zinc/93/25/01/385932501.db2.gz BPPKTRSYPZQENX-KOLCDFICSA-N 1 0 208.236 1.104 40 0 BDABRO COC(=O)c1ccc2c(c1)OC[C@]21CC[NH2+]1 ZINC000306145385 385993981 /nfs/dbraw/zinc/99/39/81/385993981.db2.gz CYYFHJYIWMGNOY-GFCCVEGCSA-N 1 0 219.240 1.054 40 0 BDABRO [NH3+]Cc1ccc(C[C@H]2CNC(=O)OC2)s1 ZINC000218692160 386408742 /nfs/dbraw/zinc/40/87/42/386408742.db2.gz MTNYMQARKRPCGG-ZETCQYMHSA-N 1 0 226.301 1.105 40 0 BDABRO c1ccc(CN2CCO[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000096082156 386586878 /nfs/dbraw/zinc/58/68/78/386586878.db2.gz OLWKHFKTUXKTFC-KGLIPLIRSA-N 1 0 232.327 1.249 40 0 BDABRO CCS(=O)(=O)[C@H]1[C@@H]([NH3+])[C@@H]1c1cccc(F)c1 ZINC000218545725 386702479 /nfs/dbraw/zinc/70/24/79/386702479.db2.gz VKDAXLOTUGJBND-GARJFASQSA-N 1 0 243.303 1.054 40 0 BDABRO CC(C)(C)OC(=O)[C@H](N)C[C@@H]1CCC[NH2+]C1 ZINC000088247613 386947010 /nfs/dbraw/zinc/94/70/10/386947010.db2.gz HXRMBJYKFKADGB-VHSXEESVSA-N 1 0 228.336 1.045 40 0 BDABRO [NH3+]C[C@@H](c1ccccn1)N1CCCCCC1 ZINC000019395042 386958952 /nfs/dbraw/zinc/95/89/52/386958952.db2.gz LQKHGGQOGXXYGW-ZDUSSCGKSA-N 1 0 219.332 1.957 40 0 BDABRO C[NH2+][C@@H]1COc2ccc(Br)cc2C1 ZINC000084789062 386971198 /nfs/dbraw/zinc/97/11/98/386971198.db2.gz TZQSXAIFKBWBGR-VIFPVBQESA-N 1 0 242.116 1.972 40 0 BDABRO CCn1cc(-c2noc([C@@H]3CCC[NH2+]3)n2)c(C)n1 ZINC000575410857 387011491 /nfs/dbraw/zinc/01/14/91/387011491.db2.gz NMWOXDYHUJQHKR-JTQLQIEISA-N 1 0 247.302 1.686 40 0 BDABRO O=C1C[C@@]2(CC[NH2+]C2)CN1c1cccc(F)c1 ZINC000096100170 387017251 /nfs/dbraw/zinc/01/72/51/387017251.db2.gz CZLDUOWXMFKFBY-CYBMUJFWSA-N 1 0 234.274 1.542 40 0 BDABRO O=C1CCC2(CC[NH2+]CC2)N1Cc1cccnc1 ZINC000096228315 387022968 /nfs/dbraw/zinc/02/29/68/387022968.db2.gz NVRLLFXGFXJHOH-UHFFFAOYSA-N 1 0 245.326 1.326 40 0 BDABRO c1nn(CC2CC2)cc1CN1CCC[NH2+]CC1 ZINC000575415097 387022969 /nfs/dbraw/zinc/02/29/69/387022969.db2.gz AXZBQIJMWITYMT-UHFFFAOYSA-N 1 0 234.347 1.088 40 0 BDABRO CN1C(=O)C2(CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000096244735 387023916 /nfs/dbraw/zinc/02/39/16/387023916.db2.gz VZQBWUHSSAQBDX-LBPRGKRZSA-N 1 0 230.311 1.570 40 0 BDABRO O=C(CC[C@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000050940349 387356860 /nfs/dbraw/zinc/35/68/60/387356860.db2.gz FZNMCGZFBDJIEW-GFCCVEGCSA-N 1 0 224.348 1.921 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1cccs1 ZINC000242575127 387674549 /nfs/dbraw/zinc/67/45/49/387674549.db2.gz NSVKEPSAPPWVRX-RKDXNWHRSA-N 1 0 225.313 1.566 40 0 BDABRO CCn1cc(CNCC[NH+](CC)CC)cn1 ZINC000050539413 387847249 /nfs/dbraw/zinc/84/72/49/387847249.db2.gz WUHSXHFSSXHIGA-UHFFFAOYSA-N 1 0 224.352 1.334 40 0 BDABRO O=C(OCc1ccccc1)N1CCC2(C[NH2+]C2)C1 ZINC000098181551 387852466 /nfs/dbraw/zinc/85/24/66/387852466.db2.gz UJALRZQHRXFXRD-UHFFFAOYSA-N 1 0 246.310 1.619 40 0 BDABRO CC(C)n1cc(CNCCC[NH+](C)C)cn1 ZINC000163969400 387853062 /nfs/dbraw/zinc/85/30/62/387853062.db2.gz GOEGFONHUXPOFS-UHFFFAOYSA-N 1 0 224.352 1.505 40 0 BDABRO CCOc1cc(N2CCC[C@@H](C[NH3+])C2)ncn1 ZINC000079439867 387855909 /nfs/dbraw/zinc/85/59/09/387855909.db2.gz FSHHFKCRFKWKOY-JTQLQIEISA-N 1 0 236.319 1.050 40 0 BDABRO COc1ccc([C@@H]2CN(C)C[C@@H]2[NH3+])c(OC)c1 ZINC000216411673 388355179 /nfs/dbraw/zinc/35/51/79/388355179.db2.gz TUJBJQKETRTNLU-RYUDHWBXSA-N 1 0 236.315 1.060 40 0 BDABRO C[C@H]([NH2+]C1CCN(C)CC1)[C@@H]1CCOC1 ZINC000132238424 388357548 /nfs/dbraw/zinc/35/75/48/388357548.db2.gz YWOUFBRDUWRXKT-WDEREUQCSA-N 1 0 212.337 1.095 40 0 BDABRO CCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000038538724 388371539 /nfs/dbraw/zinc/37/15/39/388371539.db2.gz LZWZFWYFQFLVAX-CYBMUJFWSA-N 1 0 205.301 1.816 40 0 BDABRO CCC[C@@H]1C[C@@H](O)C[N@@H+]1CCOCC ZINC000217877282 388382527 /nfs/dbraw/zinc/38/25/27/388382527.db2.gz GPEHGFXDSBXEBE-GHMZBOCLSA-N 1 0 201.310 1.258 40 0 BDABRO C[NH2+]C[C@@H]1CC[C@]2(CCOC(C)(C)C2)O1 ZINC000242548210 388399792 /nfs/dbraw/zinc/39/97/92/388399792.db2.gz LDCGOVCOSZSMCK-CMPLNLGQSA-N 1 0 213.321 1.713 40 0 BDABRO Cc1ccc(OC[C@H]2CCC[NH2+]C2)nc1 ZINC000040434904 388415845 /nfs/dbraw/zinc/41/58/45/388415845.db2.gz FMSXJKKCUGNVCA-NSHDSACASA-N 1 0 206.289 1.768 40 0 BDABRO [NH3+]CCS(=O)(=O)c1ccc2ccccc2c1 ZINC000006886228 388528234 /nfs/dbraw/zinc/52/82/34/388528234.db2.gz RKBKNRADSKGEAB-UHFFFAOYSA-N 1 0 235.308 1.572 40 0 BDABRO c1coc(-c2n[nH]c(C3CC[NH2+]CC3)n2)c1 ZINC000064875521 388671998 /nfs/dbraw/zinc/67/19/98/388671998.db2.gz KXCWWXUANTYHBI-UHFFFAOYSA-N 1 0 218.260 1.532 40 0 BDABRO COc1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000066057172 388680848 /nfs/dbraw/zinc/68/08/48/388680848.db2.gz RSKZUPMDQJMMDB-UHFFFAOYSA-N 1 0 235.327 1.900 40 0 BDABRO Cc1ccncc1[C@H](C)O[C@H]1CC[NH2+]C1 ZINC000252478585 388652640 /nfs/dbraw/zinc/65/26/40/388652640.db2.gz APXUOFVCOGKFOI-QWRGUYRKSA-N 1 0 206.289 1.830 40 0 BDABRO CCNc1ncc(C[NH2+]C[C@H]2CCCO2)cn1 ZINC000062717528 388655622 /nfs/dbraw/zinc/65/56/22/388655622.db2.gz KPHCHHXWPWOLAO-LLVKDONJSA-N 1 0 236.319 1.177 40 0 BDABRO CCNc1ncc(C[NH2+]CCCCCO)cn1 ZINC000062717576 388655645 /nfs/dbraw/zinc/65/56/45/388655645.db2.gz JCVRPEADKSOILZ-UHFFFAOYSA-N 1 0 238.335 1.161 40 0 BDABRO CCOc1cc(N[C@@H]2CCC[NH2+]C2)ncn1 ZINC000079438874 388695923 /nfs/dbraw/zinc/69/59/23/388695923.db2.gz OYBQHNWZNZNXBG-SECBINFHSA-N 1 0 222.292 1.039 40 0 BDABRO CCOc1cc(N(C)[C@@H]2CCC[NH2+]C2)ncn1 ZINC000079438888 388696396 /nfs/dbraw/zinc/69/63/96/388696396.db2.gz WUPQVCDEIBLCTR-SNVBAGLBSA-N 1 0 236.319 1.064 40 0 BDABRO CCOc1cc(N(C)[C@H]2CCC[NH2+]C2)ncn1 ZINC000079438891 388696411 /nfs/dbraw/zinc/69/64/11/388696411.db2.gz WUPQVCDEIBLCTR-JTQLQIEISA-N 1 0 236.319 1.064 40 0 BDABRO c1ccc(Nc2nccc([C@H]3CC[NH2+]C3)n2)nc1 ZINC000257219470 388698273 /nfs/dbraw/zinc/69/82/73/388698273.db2.gz DGXADHHXMVLMJU-JTQLQIEISA-N 1 0 241.298 1.692 40 0 BDABRO [NH3+]C[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000011888337 388710933 /nfs/dbraw/zinc/71/09/33/388710933.db2.gz VMGWGONMSQMCKW-LBPRGKRZSA-N 1 0 222.307 1.996 40 0 BDABRO CC(C)Oc1cccc(N2CC[NH2+]CC2)c1 ZINC000019688509 132326303 /nfs/dbraw/zinc/32/63/03/132326303.db2.gz FXQBSUBCXFCTEA-UHFFFAOYSA-N 1 0 220.316 1.883 40 0 BDABRO C[C@H]1CN(c2ccc(Cl)cn2)CC[NH2+]1 ZINC000052783326 132362337 /nfs/dbraw/zinc/36/23/37/132362337.db2.gz QOECGVDYZAXYTF-QMMMGPOBSA-N 1 0 211.696 1.533 40 0 BDABRO C[NH2+]C1CCN(c2ccnc(Cl)n2)CC1 ZINC000072203422 132396433 /nfs/dbraw/zinc/39/64/33/132396433.db2.gz CMGZLWJOZLYLEX-UHFFFAOYSA-N 1 0 226.711 1.318 40 0 BDABRO [NH3+]C[C@H]1CCCCN1c1ncc(Cl)cn1 ZINC000072203253 132396434 /nfs/dbraw/zinc/39/64/34/132396434.db2.gz QQBLHQYGTHBTTL-SECBINFHSA-N 1 0 226.711 1.448 40 0 BDABRO [NH3+][C@@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1 ZINC000328579464 132243969 /nfs/dbraw/zinc/24/39/69/132243969.db2.gz JVCFEKNNJLKQIA-SSDOTTSWSA-N 1 0 246.236 1.423 40 0 BDABRO CCCCc1nc(C)cc(N2CC[NH2+]CC2)n1 ZINC000008731078 132319217 /nfs/dbraw/zinc/31/92/17/132319217.db2.gz XJHGQWBGWHPOKB-UHFFFAOYSA-N 1 0 234.347 1.537 40 0 BDABRO Cc1ccc(N2C[C@H](C)[NH2+][C@@H](C)C2)c(N)c1 ZINC000008702611 132319261 /nfs/dbraw/zinc/31/92/61/132319261.db2.gz ZMBZYVXBSGVVOS-QWRGUYRKSA-N 1 0 219.332 1.764 40 0 BDABRO Cc1ccc(N2C[C@@H](C)[NH2+][C@H](C)C2)c(N)c1 ZINC000008702609 132319290 /nfs/dbraw/zinc/31/92/90/132319290.db2.gz ZMBZYVXBSGVVOS-GHMZBOCLSA-N 1 0 219.332 1.764 40 0 BDABRO CCn1cc2c(n1)nc(N1CC[NH2+]CC1)cc2C ZINC000012398910 132321369 /nfs/dbraw/zinc/32/13/69/132321369.db2.gz UYLQONKBNBUEBU-UHFFFAOYSA-N 1 0 245.330 1.169 40 0 BDABRO CC(C)Nc1cccnc1N1CC[NH2+]CC1 ZINC000021992775 132332466 /nfs/dbraw/zinc/33/24/66/132332466.db2.gz COALJHRGWIXLFP-UHFFFAOYSA-N 1 0 220.320 1.312 40 0 BDABRO COC(=O)c1cccc(N2CC[NH2+][C@H](C)C2)c1 ZINC000039952494 132347072 /nfs/dbraw/zinc/34/70/72/132347072.db2.gz BTZCQJSKLLSXLC-SNVBAGLBSA-N 1 0 234.299 1.271 40 0 BDABRO CSc1nccc(N2CCC[C@H](C[NH3+])C2)n1 ZINC000072203117 132396244 /nfs/dbraw/zinc/39/62/44/132396244.db2.gz FUBCNNVJTCWJNG-SECBINFHSA-N 1 0 238.360 1.374 40 0 BDABRO Cc1cnc(N2CCC[C@H]([NH3+])C2)nc1Cl ZINC000072203535 132396683 /nfs/dbraw/zinc/39/66/83/132396683.db2.gz MRHSIYSLKQXNGO-QMMMGPOBSA-N 1 0 226.711 1.366 40 0 BDABRO CC(C)Cc1nnc(NC(=O)CC[NH3+])s1 ZINC000031959027 398063986 /nfs/dbraw/zinc/06/39/86/398063986.db2.gz RUMXYXYRPZEDTJ-UHFFFAOYSA-N 1 0 228.321 1.024 40 0 BDABRO CCNc1ncc(C[NH2+]CCCOCC)cn1 ZINC000062717530 398055907 /nfs/dbraw/zinc/05/59/07/398055907.db2.gz CRXCHURSMIPQIQ-UHFFFAOYSA-N 1 0 238.335 1.425 40 0 BDABRO CC(C)NC(=O)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000096157176 167070275 /nfs/dbraw/zinc/07/02/75/167070275.db2.gz UIOARNAHHXQWKV-CYBMUJFWSA-N 1 0 239.363 1.570 40 0 BDABRO CC(C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000072194531 167140135 /nfs/dbraw/zinc/14/01/35/167140135.db2.gz JRECQALUKGSSFA-JTQLQIEISA-N 1 0 228.336 1.994 40 0 BDABRO CC(C)C[NH+](Cc1cc(N)nn1C)CC(C)C ZINC000408715265 410715597 /nfs/dbraw/zinc/71/55/97/410715597.db2.gz AIZBSDDPMHZXIL-UHFFFAOYSA-N 1 0 238.379 2.116 40 0 BDABRO CCN(CC)CC[NH2+]C[C@@H]1CCCOC1 ZINC000038045934 169779790 /nfs/dbraw/zinc/77/97/90/169779790.db2.gz RPEIOYHLXUHADF-LBPRGKRZSA-N 1 0 214.353 1.344 40 0 BDABRO CC(C)NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000004238131 167067403 /nfs/dbraw/zinc/06/74/03/167067403.db2.gz FVJUXPFPBSAAAZ-UHFFFAOYSA-N 1 0 239.363 1.570 40 0 BDABRO CC(C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC000096224909 167083331 /nfs/dbraw/zinc/08/33/31/167083331.db2.gz DJZKJRVMROOLPN-LLVKDONJSA-N 1 0 240.347 1.060 40 0 BDABRO CC1=C[C@@H](Cc2ccccc2)[N@@H+](C)[C@H](C(N)=O)C1 ZINC000005495712 168125400 /nfs/dbraw/zinc/12/54/00/168125400.db2.gz FUWGAYHVUGNBGY-KBPBESRZSA-N 1 0 244.338 1.733 40 0 BDABRO CC1=C[C@H](Cc2ccccc2)[N@@H+](C)[C@H](C(N)=O)C1 ZINC000001581127 168132374 /nfs/dbraw/zinc/13/23/74/168132374.db2.gz FUWGAYHVUGNBGY-KGLIPLIRSA-N 1 0 244.338 1.733 40 0 BDABRO CC1CC[NH+](CC(=O)Nc2ccccc2N)CC1 ZINC000004171036 168180008 /nfs/dbraw/zinc/18/00/08/168180008.db2.gz LABUXBPZXJDKNM-UHFFFAOYSA-N 1 0 247.342 1.939 40 0 BDABRO CC[NH2+][C@@H]1C(C)=N[C@H]2C[C@@H](C(=O)OC)CC[C@@H]21 ZINC000096305880 170149790 /nfs/dbraw/zinc/14/97/90/170149790.db2.gz PLYJHDWWKOTOCG-FIQHERPVSA-N 1 0 238.331 1.397 40 0 BDABRO CCNc1nc(NC(C)C)nc(NCC)[nH+]1 ZINC000002011064 170176855 /nfs/dbraw/zinc/17/68/55/170176855.db2.gz ANCXQLFAWHZRLK-UHFFFAOYSA-N 1 0 224.312 1.556 40 0 BDABRO CCO[C@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000062711918 170504521 /nfs/dbraw/zinc/50/45/21/170504521.db2.gz IVOIHIYKZJBGGG-LLVKDONJSA-N 1 0 213.252 1.871 40 0 BDABRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](C)C1 ZINC000034689302 171393931 /nfs/dbraw/zinc/39/39/31/171393931.db2.gz QYFKHMNKZMJIHM-DCAQKATOSA-N 1 0 212.337 1.618 40 0 BDABRO CCc1nnc2sc(-c3cc[n+](C)cc3)nn12 ZINC000226773721 172068926 /nfs/dbraw/zinc/06/89/26/172068926.db2.gz ZOZIGCAGAXVHNG-UHFFFAOYSA-N 1 0 246.319 1.240 40 0 BDABRO CCn1c2ccccc2nc1N1CCC[C@H]([NH3+])C1 ZINC000043220237 172145988 /nfs/dbraw/zinc/14/59/88/172145988.db2.gz ZRYWOHWETUYIKS-NSHDSACASA-N 1 0 244.342 1.984 40 0 BDABRO CCn1ncc(C)c1C[NH2+]CCCOC ZINC000256050863 172253906 /nfs/dbraw/zinc/25/39/06/172253906.db2.gz GUMATQSQWKLJGQ-UHFFFAOYSA-N 1 0 211.309 1.338 40 0 BDABRO CCn1ncc(C[N@@H+]2CCC[C@@H](O)C2)c1C ZINC000072397795 172255228 /nfs/dbraw/zinc/25/52/28/172255228.db2.gz WLKLPPPHQXKGSY-GFCCVEGCSA-N 1 0 223.320 1.168 40 0 BDABRO CCn1nccc1C[NH2+]Cc1cccn1C ZINC000020351285 172270190 /nfs/dbraw/zinc/27/01/90/172270190.db2.gz KXTNOKMUBOMCPV-UHFFFAOYSA-N 1 0 218.304 1.531 40 0 BDABRO CN(C)C(=O)Oc1ncccc1[C@H]1CCC[N@@H+]1C ZINC000002046769 172383883 /nfs/dbraw/zinc/38/38/83/172383883.db2.gz CXBVRHNOFNLISC-LLVKDONJSA-N 1 0 249.314 1.909 40 0 BDABRO C[NH+]1CCC([C@H](C(N)=O)c2ccccc2)CC1 ZINC000352067572 173000333 /nfs/dbraw/zinc/00/03/33/173000333.db2.gz CYXZAUNTWNCHAB-CYBMUJFWSA-N 1 0 232.327 1.597 40 0 BDABRO C[N@@H+]1CCC[C@@H](Oc2ccncc2N)C1 ZINC000096526674 173022549 /nfs/dbraw/zinc/02/25/49/173022549.db2.gz DALQVUQLIZHRTO-SECBINFHSA-N 1 0 207.277 1.137 40 0 BDABRO CN(C)c1cc(C[C@H]2CCC[N@H+](C)C2)ncn1 ZINC000072381288 173040364 /nfs/dbraw/zinc/04/03/64/173040364.db2.gz BGOROEKWRGCGHK-LLVKDONJSA-N 1 0 234.347 1.427 40 0 BDABRO CN(C)c1cccc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072381281 173047385 /nfs/dbraw/zinc/04/73/85/173047385.db2.gz YONCOEFAOFFNFI-NSHDSACASA-N 1 0 219.332 1.957 40 0 BDABRO C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](CO)C1 ZINC000217672449 173182632 /nfs/dbraw/zinc/18/26/32/173182632.db2.gz PMTYDJRHJNLFNW-JQWIXIFHSA-N 1 0 209.264 1.463 40 0 BDABRO C[N@H+]1C[C@@H](c2ccccc2Cl)[C@H](CO)C1 ZINC000217672641 173183155 /nfs/dbraw/zinc/18/31/55/173183155.db2.gz DDZZQUCYKMUZND-GXSJLCMTSA-N 1 0 225.719 1.978 40 0 BDABRO CNC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](C)[C@@H](C)C1 ZINC000134810478 173295839 /nfs/dbraw/zinc/29/58/39/173295839.db2.gz GNWSGTHKHNIYGI-MMWGEVLESA-N 1 0 212.337 1.535 40 0 BDABRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000026895578 173299776 /nfs/dbraw/zinc/29/97/76/173299776.db2.gz FXFVVDRBBMRQTI-GFCCVEGCSA-N 1 0 218.300 1.255 40 0 BDABRO CNC(=O)[C@@]1(CCCc2cccnc2)CCC[NH2+]1 ZINC000072344200 173300552 /nfs/dbraw/zinc/30/05/52/173300552.db2.gz FFCSMHAZEKFJSJ-CQSZACIVSA-N 1 0 247.342 1.273 40 0 BDABRO CNC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000217526428 173305500 /nfs/dbraw/zinc/30/55/00/173305500.db2.gz JAHOELAZMQBMSO-CHWSQXEVSA-N 1 0 232.327 1.658 40 0 BDABRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832075 173306714 /nfs/dbraw/zinc/30/67/14/173306714.db2.gz KSPKXQPGGJTNJE-ZDUSSCGKSA-N 1 0 232.327 1.645 40 0 BDABRO CNC(=O)c1cnc(C2(C)CC[NH2+]CC2)s1 ZINC000257221889 173313032 /nfs/dbraw/zinc/31/30/32/173313032.db2.gz DQYRBFPCPOCCKZ-UHFFFAOYSA-N 1 0 239.344 1.144 40 0 BDABRO C[NH2+]CCN(CCOC)Cc1cccs1 ZINC000096523939 173354502 /nfs/dbraw/zinc/35/45/02/173354502.db2.gz HYZLYFUEZGQUQT-UHFFFAOYSA-N 1 0 228.361 1.416 40 0 BDABRO C[NH2+]C[C@H](C)Cc1ccc2c(c1)OCO2 ZINC000071746257 173376173 /nfs/dbraw/zinc/37/61/73/173376173.db2.gz OUDAACSONIJLOT-SECBINFHSA-N 1 0 207.273 1.813 40 0 in-vitro BDABRO COCC(=O)NCCC[NH+]1CCCCCC1 ZINC000057288871 174048725 /nfs/dbraw/zinc/04/87/25/174048725.db2.gz PATNPFWUTBBLMY-UHFFFAOYSA-N 1 0 228.336 1.015 40 0 BDABRO COCCC[NH2+]CCC(=O)OC(C)(C)C ZINC000005066341 174246974 /nfs/dbraw/zinc/24/69/74/174246974.db2.gz PSPJFWWDBUNXOF-UHFFFAOYSA-N 1 0 217.309 1.344 40 0 BDABRO COCCC[NH2+]Cc1cnn(C(C)C)c1C ZINC000256049870 174248255 /nfs/dbraw/zinc/24/82/55/174248255.db2.gz BUTIGMFPKYKKEC-UHFFFAOYSA-N 1 0 225.336 1.899 40 0 BDABRO COCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072357043 174308483 /nfs/dbraw/zinc/30/84/83/174308483.db2.gz ONRMONHXZDWTEG-JTQLQIEISA-N 1 0 209.293 1.236 40 0 BDABRO COCC[N@@H+]1CCc2cc(N)ccc2C1 ZINC000117624976 174316407 /nfs/dbraw/zinc/31/64/07/174316407.db2.gz MNNGZDYGFVCNND-UHFFFAOYSA-N 1 0 206.289 1.273 40 0 BDABRO COCC[NH2+]CCOC1CCSCC1 ZINC000085391062 174333990 /nfs/dbraw/zinc/33/39/90/174333990.db2.gz DZGNJCBEMBQOHQ-UHFFFAOYSA-N 1 0 219.350 1.135 40 0 BDABRO COCC[NH2+]Cc1cnn(C(C)C)c1C ZINC000080073399 174336247 /nfs/dbraw/zinc/33/62/47/174336247.db2.gz QLDBUAVRTHZQGJ-UHFFFAOYSA-N 1 0 211.309 1.508 40 0 BDABRO COCCO[C@@H]1C[NH2+][C@@H](CC(C)C)C1 ZINC000217864691 174364986 /nfs/dbraw/zinc/36/49/86/174364986.db2.gz JGNBTESGAWQZKP-QWRGUYRKSA-N 1 0 201.310 1.426 40 0 BDABRO COc1cc2nc(C[NH3+])[nH]c2cc1OC ZINC000011567882 175028133 /nfs/dbraw/zinc/02/81/33/175028133.db2.gz HRWTYPSEHDGINA-UHFFFAOYSA-N 1 0 207.233 1.039 40 0 BDABRO COc1ccc(Br)cc1[C@H](O)C[NH3+] ZINC000036894214 175051474 /nfs/dbraw/zinc/05/14/74/175051474.db2.gz USRLAEMRMIFVSC-MRVPVSSYSA-N 1 0 246.104 1.450 40 0 BDABRO COc1ccc(C[C@@H](O)C[NH2+]CC(C)C)cc1 ZINC000001669905 175115789 /nfs/dbraw/zinc/11/57/89/175115789.db2.gz XLOXZYAARSINMQ-CYBMUJFWSA-N 1 0 237.343 1.844 40 0 BDABRO COc1ccc(NC(=O)C2CC[NH2+]CC2)c(C)c1 ZINC000032103676 175140510 /nfs/dbraw/zinc/14/05/10/175140510.db2.gz ONTNSUOOQNVVMY-UHFFFAOYSA-N 1 0 248.326 1.942 40 0 BDABRO COc1ccc([C@@H]2C[N@H+](C)C[C@@H]2CO)cc1 ZINC000217673860 175183949 /nfs/dbraw/zinc/18/39/49/175183949.db2.gz KUYYGVJYJPSSMR-YPMHNXCESA-N 1 0 221.300 1.333 40 0 BDABRO COc1ccc2c(c1)OCC[C@]21CC[NH2+]1 ZINC000306145864 175212394 /nfs/dbraw/zinc/21/23/94/175212394.db2.gz UBVVHPXLTLUZBX-GFCCVEGCSA-N 1 0 205.257 1.666 40 0 BDABRO COc1ccc2c(c1)[C@]1(C[C@H]1[NH3+])CCO2 ZINC000218687139 175215344 /nfs/dbraw/zinc/21/53/44/175215344.db2.gz QPSANWIUZNLNLW-VXGBXAGGSA-N 1 0 205.257 1.447 40 0 BDABRO COc1ccc2c(c1)[C@@]1(CCC2)COCC[NH2+]1 ZINC000306145636 175215666 /nfs/dbraw/zinc/21/56/66/175215666.db2.gz LEMWYGNLZDAYFQ-CQSZACIVSA-N 1 0 233.311 1.847 40 0 BDABRO COc1cccc(-c2noc([C@@H]3CC[NH2+]C3)n2)c1 ZINC000062119658 175238285 /nfs/dbraw/zinc/23/82/85/175238285.db2.gz CRTGAFLSKNGCCF-SNVBAGLBSA-N 1 0 245.282 1.822 40 0 BDABRO COc1cccc(C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000062617029 175243767 /nfs/dbraw/zinc/24/37/67/175243767.db2.gz PDGZWOJOOWTIAB-JTQLQIEISA-N 1 0 234.299 1.129 40 0 BDABRO COc1cccc(C2=NO[C@H](C[NH3+])C2)c1 ZINC000069978244 175249141 /nfs/dbraw/zinc/24/91/41/175249141.db2.gz VCPHYLSDEUZPGZ-JTQLQIEISA-N 1 0 206.245 1.147 40 0 BDABRO COc1cccc(CC2C[NH2+]C2)c1OC ZINC000022157528 175250900 /nfs/dbraw/zinc/25/09/00/175250900.db2.gz GWRKKMIIWTXNBP-UHFFFAOYSA-N 1 0 207.273 1.466 40 0 BDABRO COc1cccc(CN(C)C(=O)[C@H](C)[NH3+])c1 ZINC000037797891 175253647 /nfs/dbraw/zinc/25/36/47/175253647.db2.gz ZHRFYVVJFGTZGM-VIFPVBQESA-N 1 0 222.288 1.001 40 0 BDABRO COc1cccc(Cn2cnc(C[NH3+])c2)c1 ZINC000071520056 175273129 /nfs/dbraw/zinc/27/31/29/175273129.db2.gz MAZTUQGTSQPHPU-UHFFFAOYSA-N 1 0 217.272 1.399 40 0 BDABRO COc1cccc([C@@H]2C[C@@H]2C[NH3+])c1OC ZINC000054586870 175291243 /nfs/dbraw/zinc/29/12/43/175291243.db2.gz UEPSALDSZBPAMV-PSASIEDQSA-N 1 0 207.273 1.766 40 0 BDABRO COc1cccc2c1C[C@@H](CO)[N@H+](C)C2 ZINC000095470432 175303411 /nfs/dbraw/zinc/30/34/11/175303411.db2.gz KONKAKAQKXKOCP-JTQLQIEISA-N 1 0 207.273 1.044 40 0 BDABRO COc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000038538711 175327679 /nfs/dbraw/zinc/32/76/79/175327679.db2.gz IXGUDVWQYVCUHK-NSHDSACASA-N 1 0 207.273 1.262 40 0 BDABRO C[C@@H]1CC[NH2+]C[C@H]1N(C)c1ncnc2[nH]ccc21 ZINC000038847052 176185246 /nfs/dbraw/zinc/18/52/46/176185246.db2.gz XRIARWQZLGCQDM-MWLCHTKSSA-N 1 0 245.330 1.392 40 0 BDABRO C[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[NH2+]1 ZINC000034431804 176261460 /nfs/dbraw/zinc/26/14/60/176261460.db2.gz GFYPGLIUERDLAW-SECBINFHSA-N 1 0 222.263 1.260 40 0 BDABRO C[C@@]1(C[NH3+])CCN1C(=O)OCc1ccccc1 ZINC000261506971 176530373 /nfs/dbraw/zinc/53/03/73/176530373.db2.gz DCIYOSFLNTUNRE-ZDUSSCGKSA-N 1 0 234.299 1.746 40 0 BDABRO C[C@H](O)[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000013542068 177013385 /nfs/dbraw/zinc/01/33/85/177013385.db2.gz UJFAUIPJOQKLMK-ZANVPECISA-N 1 0 244.294 1.486 40 0 BDABRO C[C@H]([C@H]([NH3+])c1ccc(F)cc1)S(C)(=O)=O ZINC000075418419 177031046 /nfs/dbraw/zinc/03/10/46/177031046.db2.gz ALCYFFYWNBELAH-XCBNKYQSSA-N 1 0 231.292 1.259 40 0 BDABRO C[C@H]1CC[C@H]([NH2+]CCNC(=O)C2CC2)C[C@@H]1C ZINC000128724841 177204680 /nfs/dbraw/zinc/20/46/80/177204680.db2.gz ANKKXYNZXLKOTE-GVXVVHGQSA-N 1 0 238.375 1.927 40 0 BDABRO C[C@H]1C[NH2+]CCN1CCCOc1ccccc1 ZINC000054372720 177283606 /nfs/dbraw/zinc/28/36/06/177283606.db2.gz CLLVKAHVFFVNPV-ZDUSSCGKSA-N 1 0 234.343 1.749 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(F)c(F)c1 ZINC000054369878 177283884 /nfs/dbraw/zinc/28/38/84/177283884.db2.gz HHOREGRWBIKMBN-QMMMGPOBSA-N 1 0 240.253 1.399 40 0 BDABRO C[C@H]1C[NH2+]CCN1CCc1ccccc1 ZINC000041213217 177284086 /nfs/dbraw/zinc/28/40/86/177284086.db2.gz AIBKALAREQBOCN-LBPRGKRZSA-N 1 0 204.317 1.523 40 0 BDABRO C[C@H]1C[NH2+]CCN1CCOc1ccc(F)cc1 ZINC000054371906 177284215 /nfs/dbraw/zinc/28/42/15/177284215.db2.gz RHADZQRHLVBUMA-NSHDSACASA-N 1 0 238.306 1.498 40 0 BDABRO C[C@@H]1C[NH2+][C@@H](C)C[C@@]1(O)c1ccccc1 ZINC000072434042 177352604 /nfs/dbraw/zinc/35/26/04/177352604.db2.gz QBPQEQQKSQOQBI-MDZLAQPJSA-N 1 0 205.301 1.892 40 0 BDABRO O=c1[nH]c([C@H]2CCC[NH2+]2)nc2ncccc12 ZINC000253536215 324191889 /nfs/dbraw/zinc/19/18/89/324191889.db2.gz LBHHSJFEENNYPZ-MRVPVSSYSA-N 1 0 216.244 1.155 40 0 BDABRO OCC1(C[N@@H+]2CCc3ccsc3C2)COC1 ZINC000132718996 325240690 /nfs/dbraw/zinc/24/06/90/325240690.db2.gz PMKLQJSVVMBTFP-UHFFFAOYSA-N 1 0 239.340 1.115 40 0 BDABRO O=C(CCO)N(c1ccccc1)C1CC[NH2+]CC1 ZINC000065742966 488014635 /nfs/dbraw/zinc/01/46/35/488014635.db2.gz ODJQWAPHOXFBAG-UHFFFAOYSA-N 1 0 248.326 1.154 40 0 in-vitro BDABRO Cc1noc([C@@H]2C[NH2+]C[C@@H]2c2ccccn2)n1 ZINC000328579440 491069026 /nfs/dbraw/zinc/06/90/26/491069026.db2.gz IPRQZQBGJKNSAC-VHSXEESVSA-N 1 0 230.271 1.244 40 0 BDABRO COC(=O)[C@@H](C)C[NH2+]CCCOC(C)C ZINC000047219197 518000638 /nfs/dbraw/zinc/00/06/38/518000638.db2.gz GKSGEIDUNNZGAP-JTQLQIEISA-N 1 0 217.309 1.200 40 0 BDABRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[NH2+]C[C@@H]12 ZINC000252448647 518837943 /nfs/dbraw/zinc/83/79/43/518837943.db2.gz ZBCUZTCLSWQWPS-IWSPIJDZSA-N 1 0 212.293 1.119 40 0 BDABRO COc1ccc2[nH+]c(N(C)N)c(C)cc2c1 ZINC000199546824 525668009 /nfs/dbraw/zinc/66/80/09/525668009.db2.gz IANNBYULAMUYNI-UHFFFAOYSA-N 1 0 217.272 1.862 40 0 BDABRO NC(=[NH2+])Nc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000143722813 526817665 /nfs/dbraw/zinc/81/76/65/526817665.db2.gz CAQWXZBFTPUOIB-UHFFFAOYSA-N 1 0 243.192 1.887 40 0 BDABRO Cn1cc(Cc2cccc(F)c2)[nH+]c1N ZINC000199550853 527236809 /nfs/dbraw/zinc/23/68/09/527236809.db2.gz PERFIUDXZCFHFD-UHFFFAOYSA-N 1 0 205.236 1.732 40 0 BDABRO CC(C)[C@H]([NH3+])CN1CCN(c2ccccn2)CC1 ZINC000019852459 535066657 /nfs/dbraw/zinc/06/66/57/535066657.db2.gz GPRLHELWVUBCQL-CYBMUJFWSA-N 1 0 248.374 1.187 40 0 BDABRO COc1ccc2c(c1C)C[N@@H+](C)C[C@H]2O ZINC000261828408 537020747 /nfs/dbraw/zinc/02/07/47/537020747.db2.gz NMWZMHMUHNQISD-LLVKDONJSA-N 1 0 207.273 1.482 40 0 BDABRO O[C@@H]1CC[NH2+]C[C@H]1Cc1cccc(F)c1 ZINC000159144959 634552658 /nfs/dbraw/zinc/55/26/58/634552658.db2.gz XPLXJLUZKQRKBS-ZYHUDNBSSA-N 1 0 209.264 1.339 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]2([NH3+])C1 ZINC000091305077 644622969 /nfs/dbraw/zinc/62/29/69/644622969.db2.gz WVHBMTCLKVJTOE-KCJUWKMLSA-N 1 0 212.293 1.345 40 0 BDABRO C[NH2+]C1Cc2cccc3[nH]c(=O)n(c32)C1 ZINC001560410223 991473099 /nfs/dbraw/zinc/47/30/99/991473099.db2.gz OXBHYNOQAAYLOZ-UHFFFAOYSA-N 1 0 202.237 1.049 40 0 BDABRO CC1(C)[NH2+]CC[C@]12c1ccccc1OC2=O ZINC000261507082 187330528 /nfs/dbraw/zinc/33/05/28/187330528.db2.gz FCJXMEDYNWARDN-CYBMUJFWSA-N 1 0 217.268 1.615 40 0 BDABRO Cc1cc([C@H]2CCCC[NH2+]2)nc2nccn21 ZINC000257237797 178264141 /nfs/dbraw/zinc/26/41/41/178264141.db2.gz HIFMSTIGOPJPIH-SNVBAGLBSA-N 1 0 216.288 1.852 40 0 BDABRO CSCC[C@H]([NH3+])CN1CCCCC1 ZINC000039794782 349536898 /nfs/dbraw/zinc/53/68/98/349536898.db2.gz NBUHLSCIHHRHFA-JTQLQIEISA-N 1 0 202.367 1.553 40 0 BDABRO Cc1ccc(-c2cnn(CC[NH3+])c2)cc1 ZINC000049812300 178328987 /nfs/dbraw/zinc/32/89/87/178328987.db2.gz DMKRBKOSPCVCMB-UHFFFAOYSA-N 1 0 201.273 1.817 40 0 BDABRO [NH3+]Cc1ccc([C@H]2CCNC(=O)C2)cc1 ZINC000199775856 398265283 /nfs/dbraw/zinc/26/52/83/398265283.db2.gz WPHFTBVURBZULI-NSHDSACASA-N 1 0 204.273 1.139 40 0 BDABRO C[C@](CO)(c1ccccc1)[NH+]1CCCC1 ZINC000070453379 259313857 /nfs/dbraw/zinc/31/38/57/259313857.db2.gz FICWVYFJKDWVGY-ZDUSSCGKSA-N 1 0 205.301 1.990 40 0 BDABRO C[NH2+]C/C=C/c1cccc(OC)c1OC ZINC000070453270 259313896 /nfs/dbraw/zinc/31/38/96/259313896.db2.gz HBZQUEPNSCCDRS-FNORWQNLSA-N 1 0 207.273 1.936 40 0 BDABRO CC(=O)OC1=CC2=[O+]C(=O)CN2c2ccccc21 ZINC000001582341 342704316 /nfs/dbraw/zinc/70/43/16/342704316.db2.gz KNDZHDPRXPMXEU-UHFFFAOYSA-O 1 0 244.226 1.802 40 0 BDABRO O=C1C[C@H]([NH2+]C2CC2)C(=O)N1c1ccc(F)cc1 ZINC000004127541 342743156 /nfs/dbraw/zinc/74/31/56/342743156.db2.gz YFBFUJHQPDWHGK-NSHDSACASA-N 1 0 248.257 1.210 40 0 BDABRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H](C)C1 ZINC000034689303 342726780 /nfs/dbraw/zinc/72/67/80/342726780.db2.gz QYFKHMNKZMJIHM-HBNTYKKESA-N 1 0 212.337 1.618 40 0 BDABRO Cc1cc(N2CCOCC2)ncc1[C@H]1CCC[NH2+]1 ZINC000072219383 259318978 /nfs/dbraw/zinc/31/89/78/259318978.db2.gz MLFDFNWRTIBYCJ-CYBMUJFWSA-N 1 0 247.342 1.651 40 0 BDABRO C[NH2+]CCN1CCO[C@H](c2ccccc2)C1 ZINC000072220375 259319378 /nfs/dbraw/zinc/31/93/78/259319378.db2.gz XDEIKBZVVFWWRM-ZDUSSCGKSA-N 1 0 220.316 1.279 40 0 BDABRO Clc1nccc(N[C@H]2CCC[NH2+]C2)n1 ZINC000038579773 342800695 /nfs/dbraw/zinc/80/06/95/342800695.db2.gz SRQSEBVXVKPYFF-ZETCQYMHSA-N 1 0 212.684 1.294 40 0 BDABRO CCOc1cccc(C[NH2+]C[C@H](C)O)c1 ZINC000008325237 342797839 /nfs/dbraw/zinc/79/78/39/342797839.db2.gz BJNSAXOVNYADGF-JTQLQIEISA-N 1 0 209.289 1.556 40 0 BDABRO CCOC[C@H]1C[N@H+](CC2CC2)Cc2cn(C)nc21 ZINC000096059849 398312365 /nfs/dbraw/zinc/31/23/65/398312365.db2.gz DBQLZFFUHHPVPM-CYBMUJFWSA-N 1 0 249.358 1.766 40 0 BDABRO Cc1ccc([C@@H]2C[N@H+](C)C[C@H]2CO)cc1 ZINC000217671440 398322851 /nfs/dbraw/zinc/32/28/51/398322851.db2.gz GYBGIDIQZMAAIP-STQMWFEESA-N 1 0 205.301 1.633 40 0 BDABRO CCN(CC)CC(CN(CC)CC)[NH2+]C ZINC000019365992 342946967 /nfs/dbraw/zinc/94/69/67/342946967.db2.gz GVXDSWKZHIOMDG-UHFFFAOYSA-N 1 0 215.385 1.258 40 0 BDABRO O=C1CCCc2nc([C@H]3CCC[NH2+]C3)ncc21 ZINC000019292357 342945314 /nfs/dbraw/zinc/94/53/14/342945314.db2.gz BRPVNHKZOWXYLF-VIFPVBQESA-N 1 0 231.299 1.463 40 0 BDABRO Cc1ccc2c(c1)[C@@H]([NH3+])CCS2(=O)=O ZINC000020437189 342985283 /nfs/dbraw/zinc/98/52/83/342985283.db2.gz CWXNWXDUTHQXFJ-VIFPVBQESA-N 1 0 211.286 1.172 40 0 BDABRO CC(C)(C)NC(=O)COc1ccc(C[NH3+])cc1 ZINC000021958375 343030330 /nfs/dbraw/zinc/03/03/30/343030330.db2.gz LDJOCGUUOGPOAV-UHFFFAOYSA-N 1 0 236.315 1.439 40 0 BDABRO CC[C@@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000214564216 343077324 /nfs/dbraw/zinc/07/73/24/343077324.db2.gz IQABHQNNJFMISW-SECBINFHSA-N 1 0 214.309 1.591 40 0 BDABRO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(O)cc1 ZINC000259603716 343135299 /nfs/dbraw/zinc/13/52/99/343135299.db2.gz FLAIGAZHHHCSDP-VXGBXAGGSA-N 1 0 235.283 1.258 40 0 BDABRO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(O)cc1 ZINC000259603705 343135329 /nfs/dbraw/zinc/13/53/29/343135329.db2.gz FLAIGAZHHHCSDP-NEPJUHHUSA-N 1 0 235.283 1.258 40 0 BDABRO CC(=O)Oc1ccc2ccc[n+](C)c2c1 ZINC000004521101 187247157 /nfs/dbraw/zinc/24/71/57/187247157.db2.gz BWYHCXMWKBSTQV-UHFFFAOYSA-N 1 0 202.233 1.590 40 0 BDABRO CC(C)COC[C@@H](O)C[NH+]1CCCCC1 ZINC000005380639 187247678 /nfs/dbraw/zinc/24/76/78/187247678.db2.gz WYGFPFCWKUDPQY-LBPRGKRZSA-N 1 0 215.337 1.506 40 0 BDABRO C[C@H](O)C[NH2+]CCNCc1ccccc1Cl ZINC000022074863 136278019 /nfs/dbraw/zinc/27/80/19/136278019.db2.gz DKJPCOIANGDNMT-JTQLQIEISA-N 1 0 242.750 1.400 40 0 BDABRO C[C@H]([NH3+])C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000037807699 343312660 /nfs/dbraw/zinc/31/26/60/343312660.db2.gz XBPREMHXIWWADM-VIFPVBQESA-N 1 0 236.290 1.664 40 0 BDABRO CCN(Cc1cccc(OC)c1)C(=O)C[NH3+] ZINC000076611190 343366769 /nfs/dbraw/zinc/36/67/69/343366769.db2.gz BFAPAMLXPYKNDL-UHFFFAOYSA-N 1 0 222.288 1.002 40 0 BDABRO [NH3+][C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000040434233 343403080 /nfs/dbraw/zinc/40/30/80/343403080.db2.gz GUWYKPZOXCWZGB-SECBINFHSA-N 1 0 210.302 1.311 40 0 BDABRO CC(=O)N1CCCC[C@H]1C[N@@H+](CCO)C(C)C ZINC000079405423 187263423 /nfs/dbraw/zinc/26/34/23/187263423.db2.gz SYJMBZSGIUGZJF-ZDUSSCGKSA-N 1 0 242.363 1.090 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)NCc1cnc(Cl)s1 ZINC000079422129 187263490 /nfs/dbraw/zinc/26/34/90/187263490.db2.gz KJFBYBMQPYFGMH-ZETCQYMHSA-N 1 0 247.751 1.396 40 0 BDABRO [NH3+][C@H](CO)Cc1ccc(Cl)cc1Cl ZINC000044463650 343501856 /nfs/dbraw/zinc/50/18/56/343501856.db2.gz YAAHVYMDWVLVEW-QMMMGPOBSA-N 1 0 220.099 1.856 40 0 BDABRO CC(C)(C)c1nnc([C@@H]2CCC[NH2+]C2)o1 ZINC000083289373 187267496 /nfs/dbraw/zinc/26/74/96/187267496.db2.gz VKPXURUBRYITSM-MRVPVSSYSA-N 1 0 209.293 1.834 40 0 BDABRO COc1cc(Br)cc(C[NH3+])c1 ZINC000084482350 187269214 /nfs/dbraw/zinc/26/92/14/187269214.db2.gz DFTOTOJXAAJQNO-UHFFFAOYSA-N 1 0 216.078 1.916 40 0 BDABRO COc1c[nH]c(C[NH+]2CCCCCC2)cc1=O ZINC000062716008 343744301 /nfs/dbraw/zinc/74/43/01/343744301.db2.gz JTOOWAPCXLLSAO-UHFFFAOYSA-N 1 0 236.315 1.760 40 0 BDABRO CN[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000050269799 259369988 /nfs/dbraw/zinc/36/99/88/259369988.db2.gz FDFWOTYUZMZRFR-SECBINFHSA-N 1 0 218.222 1.925 40 0 BDABRO CC(C)CN1CCC(=O)Nc2c[nH+]ccc21 ZINC000096510699 343756579 /nfs/dbraw/zinc/75/65/79/343756579.db2.gz RBSRRHHAYYGQLV-UHFFFAOYSA-N 1 0 219.288 1.886 40 0 BDABRO Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1C ZINC000038538878 343783464 /nfs/dbraw/zinc/78/34/64/343783464.db2.gz ZYXHHHMIXGLBHF-ZDUSSCGKSA-N 1 0 205.301 1.870 40 0 BDABRO OC[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)s1 ZINC000307177187 343797317 /nfs/dbraw/zinc/79/73/17/343797317.db2.gz WGPPWTVZVBYNCR-RNFRBKRXSA-N 1 0 217.721 1.697 40 0 BDABRO Cc1ncc(CO)c(C[NH+]2CCCCC2)c1O ZINC000409422241 343812848 /nfs/dbraw/zinc/81/28/48/343812848.db2.gz DABYIJBDRRYAOZ-UHFFFAOYSA-N 1 0 236.315 1.574 40 0 BDABRO [NH3+]Cc1cncn1Cc1cc(F)cc(F)c1 ZINC000409423015 343814246 /nfs/dbraw/zinc/81/42/46/343814246.db2.gz NSLCATHKOZTWRI-UHFFFAOYSA-N 1 0 223.226 1.668 40 0 BDABRO CCOc1ccccc1[C@H]1C[NH2+]C[C@H]1CO ZINC000396971372 343811169 /nfs/dbraw/zinc/81/11/69/343811169.db2.gz KDXIMIHSZYAWDX-JQWIXIFHSA-N 1 0 221.300 1.381 40 0 BDABRO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](c2cc[nH]n2)C1 ZINC000072383360 187276682 /nfs/dbraw/zinc/27/66/82/187276682.db2.gz SEFPCQQQNSYGLB-LLVKDONJSA-N 1 0 245.330 1.441 40 0 BDABRO Cc1nc(C)c(CO[C@@H]2CC[NH2+]C2)s1 ZINC000585144638 343879563 /nfs/dbraw/zinc/87/95/63/343879563.db2.gz WHXVIPWMDFJVRD-SECBINFHSA-N 1 0 212.318 1.638 40 0 BDABRO CC(C)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051919040 187357435 /nfs/dbraw/zinc/35/74/35/187357435.db2.gz JUJAOJHPGBFSSZ-CQSZACIVSA-N 1 0 239.407 1.402 40 0 BDABRO C[C@@]([NH3+])(CO)c1ccccc1Br ZINC000038124540 344083990 /nfs/dbraw/zinc/08/39/90/344083990.db2.gz HYMVIYDMZAFEPS-SECBINFHSA-N 1 0 230.105 1.615 40 0 BDABRO CC(C)[C@H]([NH3+])c1nc([C@@H]2CCCO2)n[nH]1 ZINC000095534778 187287998 /nfs/dbraw/zinc/28/79/98/187287998.db2.gz FBOLPPDWEIHMRR-YUMQZZPRSA-N 1 0 210.281 1.312 40 0 BDABRO CC(C)N(C(C)C)[C@H](C[NH3+])C(F)(F)F ZINC000096529444 187288492 /nfs/dbraw/zinc/28/84/92/187288492.db2.gz ZMPAKHCOLOQKAD-MRVPVSSYSA-N 1 0 212.259 1.995 40 0 BDABRO C([C@H]1CCOC1)[NH+]1CCC2(COC2)CC1 ZINC000096051235 187288798 /nfs/dbraw/zinc/28/87/98/187288798.db2.gz PKJZJOIAUSEVKW-LLVKDONJSA-N 1 0 211.305 1.135 40 0 BDABRO C[C@@]12CC[N@H+](CC3CC3)[C@@H]1CCCCC(=O)N2 ZINC000019695468 347031846 /nfs/dbraw/zinc/03/18/46/347031846.db2.gz ZKJVMRGETFDCJU-TZMCWYRMSA-N 1 0 236.359 1.920 40 0 BDABRO c1c[nH]c(-c2cnc([C@@H]3CCC[NH2+]3)cn2)n1 ZINC000585178860 344276326 /nfs/dbraw/zinc/27/63/26/344276326.db2.gz SZHWJGFEWVCLAY-QMMMGPOBSA-N 1 0 215.260 1.291 40 0 BDABRO CC(=O)N[C@H]1CC[C@H]([N@@H+](CCN)C(C)C)CC1 ZINC000100178636 187361772 /nfs/dbraw/zinc/36/17/72/187361772.db2.gz GDNVSMPNPIXIRI-BETUJISGSA-N 1 0 241.379 1.103 40 0 BDABRO Cc1cccc(C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000062608751 179009804 /nfs/dbraw/zinc/00/98/04/179009804.db2.gz ROFFVQLXYMBJTD-NSHDSACASA-N 1 0 218.300 1.429 40 0 BDABRO COc1ccc([C@H]2CC(N)=[NH+]N2C)cc1OC ZINC000222549020 187320145 /nfs/dbraw/zinc/32/01/45/187320145.db2.gz YXHRLDMHQXKGJO-SECBINFHSA-N 1 0 235.287 1.353 40 0 BDABRO Cc1cccc(CN2C[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000096081383 179084261 /nfs/dbraw/zinc/08/42/61/179084261.db2.gz ZPFYSPGYMLEIPF-KGLIPLIRSA-N 1 0 216.328 1.789 40 0 BDABRO Cc1ccccc1C(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC000248160870 179248818 /nfs/dbraw/zinc/24/88/18/179248818.db2.gz ORYNLGHNJVTJLB-XYYAHUGASA-N 1 0 230.311 1.272 40 0 BDABRO CCCn1nccc1[C@@H]1CCCN1CC[NH3+] ZINC000022763048 347604905 /nfs/dbraw/zinc/60/49/05/347604905.db2.gz XSOVKQSLBWUFIJ-NSHDSACASA-N 1 0 222.336 1.389 40 0 BDABRO Cc1ccccc1S(=O)(=O)C1CC[NH2+]CC1 ZINC000083296128 179314372 /nfs/dbraw/zinc/31/43/72/179314372.db2.gz JVMNVAFPTDTKBO-UHFFFAOYSA-N 1 0 239.340 1.521 40 0 BDABRO CC(C)(C)NC(=S)NCC[NH+]1CCCCC1 ZINC000201948020 347950379 /nfs/dbraw/zinc/95/03/79/347950379.db2.gz LJRJNRGRNQPTRK-UHFFFAOYSA-N 1 0 243.420 1.735 40 0 BDABRO c1cc(-c2cncc(C[C@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000205688061 348575328 /nfs/dbraw/zinc/57/53/28/348575328.db2.gz UIZMFZRYVAGFFG-SNVBAGLBSA-N 1 0 243.314 1.409 40 0 BDABRO Cc1ccnc([C@@H]2CC[N@@H+](C3CCOCC3)C2)n1 ZINC000205694508 348576178 /nfs/dbraw/zinc/57/61/78/348576178.db2.gz KKDGWUWEHBQSKJ-GFCCVEGCSA-N 1 0 247.342 1.753 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000221283592 350203801 /nfs/dbraw/zinc/20/38/01/350203801.db2.gz NRSXXKHXMGDSKT-AOOOYVTPSA-N 1 0 226.320 1.748 40 0 BDABRO COC(=O)CC(C)(C)CC(C)(C)C[NH3+] ZINC000256052923 351033730 /nfs/dbraw/zinc/03/37/30/351033730.db2.gz PERLXWQTHPTKBX-UHFFFAOYSA-N 1 0 201.310 1.951 40 0 BDABRO c1ccc2cc([C@H]3C[NH2+]CCO3)ncc2c1 ZINC000019399724 352754599 /nfs/dbraw/zinc/75/45/99/352754599.db2.gz BLWDMBRPRYRJMF-CYBMUJFWSA-N 1 0 214.268 1.896 40 0 BDABRO COc1cc(OC)c2nccc(NCC[NH3+])c2c1 ZINC000222681995 188009541 /nfs/dbraw/zinc/00/95/41/188009541.db2.gz SJMWIGVSFMVEIL-UHFFFAOYSA-N 1 0 247.298 1.623 40 0 BDABRO CC(C)(C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000015446210 353132442 /nfs/dbraw/zinc/13/24/42/353132442.db2.gz HRNKSMLMHBPKNE-SNVBAGLBSA-N 1 0 212.337 1.620 40 0 BDABRO FC(F)(F)Cc1noc([C@H]2CCC[NH2+]C2)n1 ZINC000042413009 180887009 /nfs/dbraw/zinc/88/70/09/180887009.db2.gz VQBOCTFGLCRFOX-LURJTMIESA-N 1 0 235.209 1.641 40 0 BDABRO C[N@H+](CC1(O)CCCCC1)[C@H]1CCCC[C@@H]1O ZINC000134069805 353261369 /nfs/dbraw/zinc/26/13/69/353261369.db2.gz RPODDEPOTXLBCZ-STQMWFEESA-N 1 0 241.375 1.917 40 0 BDABRO Fc1cccc(O[C@@H]2C[C@@H]3C[NH2+]CCN3C2)c1 ZINC000107915974 181003079 /nfs/dbraw/zinc/00/30/79/181003079.db2.gz NOXHOBVVJWJJLT-DGCLKSJQSA-N 1 0 236.290 1.251 40 0 BDABRO Fc1ccccc1[C@H]1NCC[C@H]2[NH+]=CN[C@@H]21 ZINC000012375426 181016003 /nfs/dbraw/zinc/01/60/03/181016003.db2.gz CUGLGYBRHHCWRK-UTUOFQBUSA-N 1 0 219.263 1.229 40 0 BDABRO Fc1cccnc1O[C@H]1CC[C@@H]2[NH2+]CCO[C@H]21 ZINC000306140092 181016682 /nfs/dbraw/zinc/01/66/82/181016682.db2.gz UJRZJGRLWDOPRX-GARJFASQSA-N 1 0 238.262 1.119 40 0 BDABRO NC(=[NH2+])NCc1cccc(Br)c1 ZINC000002014191 181190652 /nfs/dbraw/zinc/19/06/52/181190652.db2.gz NQAHHMUBLBQHKO-UHFFFAOYSA-N 1 0 228.093 1.432 40 0 BDABRO NC(=[NH2+])SCCOc1ccc(F)cc1 ZINC000007715592 181191965 /nfs/dbraw/zinc/19/19/65/181191965.db2.gz KWVRTPZFGPZDRV-UHFFFAOYSA-N 1 0 214.265 1.831 40 0 BDABRO Nc1cc(OCc2ccccc2)nc(N)n1 ZINC000013602291 355876457 /nfs/dbraw/zinc/87/64/57/355876457.db2.gz MVIHQMTVQZOYCE-UHFFFAOYSA-N 1 0 216.244 1.220 40 0 BDABRO NC(=O)[C@@H]([NH3+])CC12CC3CC(CC(C3)C1)C2 ZINC000001643440 181264951 /nfs/dbraw/zinc/26/49/51/181264951.db2.gz GIFUIGLMTVCHRC-ZQMDXNIRSA-N 1 0 222.332 1.406 40 0 BDABRO NC(=O)[C@@H](c1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000163203085 181266648 /nfs/dbraw/zinc/26/66/48/181266648.db2.gz YLGCEJFUJPOUQW-RYUDHWBXSA-N 1 0 236.290 1.537 40 0 BDABRO NC(=O)[C@H](c1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000163203183 181278286 /nfs/dbraw/zinc/27/82/86/181278286.db2.gz YLGCEJFUJPOUQW-NWDGAFQWSA-N 1 0 236.290 1.537 40 0 BDABRO C[C@H](C1CC1)[N@H+](C1CC1)[C@@H]1CNCC[C@@]1(C)O ZINC000685936119 538756223 /nfs/dbraw/zinc/75/62/23/538756223.db2.gz FYAXTXJNIYAOCQ-LERXQTSPSA-N 1 0 238.375 1.362 40 0 BDABRO Cn1cc(C[NH2+]Cc2cccn2C)cn1 ZINC000020351148 357339501 /nfs/dbraw/zinc/33/95/01/357339501.db2.gz LHSDSXYNRKSZPS-UHFFFAOYSA-N 1 0 204.277 1.048 40 0 BDABRO Cn1cc(C[NH2+]Cc2cccs2)cn1 ZINC000020139501 357339828 /nfs/dbraw/zinc/33/98/28/357339828.db2.gz MSWNBBXKIUSSLL-UHFFFAOYSA-N 1 0 207.302 1.771 40 0 BDABRO [NH3+][C@@H]1c2cc(Br)ccc2C[C@H]1O ZINC000039941415 491110706 /nfs/dbraw/zinc/11/07/06/491110706.db2.gz BCTITPKCHCGPPC-RKDXNWHRSA-N 1 0 228.089 1.366 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1sccc1C ZINC000396830339 357823291 /nfs/dbraw/zinc/82/32/91/357823291.db2.gz RHBJKDNSPWPFRO-BDAKNGLRSA-N 1 0 225.313 1.533 40 0 BDABRO CCOc1ccc([C@H]2C[NH2+]C[C@@H]2N)cc1 ZINC000396917048 359881522 /nfs/dbraw/zinc/88/15/22/359881522.db2.gz NYWKNSURPSLGEQ-NEPJUHHUSA-N 1 0 206.289 1.099 40 0 BDABRO CCOc1ccc([C@@H]2C[NH2+]C[C@H]2CO)cc1 ZINC000396932580 359884622 /nfs/dbraw/zinc/88/46/22/359884622.db2.gz YTYRNRUFRJALTM-AAEUAGOBSA-N 1 0 221.300 1.381 40 0 BDABRO [NH3+]CC(=O)NCc1ccc(Cl)cc1Cl ZINC000057521308 181353291 /nfs/dbraw/zinc/35/32/91/181353291.db2.gz PWRFTEXZYDQTLB-UHFFFAOYSA-N 1 0 233.098 1.568 40 0 BDABRO [NH3+]CC(=O)NCc1ccccc1Br ZINC000042419479 181354607 /nfs/dbraw/zinc/35/46/07/181354607.db2.gz XVYZDVUWMQPVRE-UHFFFAOYSA-N 1 0 243.104 1.024 40 0 BDABRO C[NH2+]Cc1cnc(N2CCCC2)c(C)c1 ZINC000072222447 259531733 /nfs/dbraw/zinc/53/17/33/259531733.db2.gz JGHKYPMBSJTADV-UHFFFAOYSA-N 1 0 205.305 1.710 40 0 BDABRO [NH3+]CCC(=O)Nc1ccccc1Br ZINC000011755247 181369955 /nfs/dbraw/zinc/36/99/55/181369955.db2.gz RLPJOXMOSYUJEK-UHFFFAOYSA-N 1 0 243.104 1.736 40 0 BDABRO [NH3+]CCCO[C@@H]1CCN(c2ccccc2)C1 ZINC000096528368 181385007 /nfs/dbraw/zinc/38/50/07/181385007.db2.gz HBAVEYNVXBIQDP-CYBMUJFWSA-N 1 0 220.316 1.631 40 0 BDABRO c1cncc(C[C@@H]2COC3(C2)CC[NH2+]CC3)c1 ZINC000205674807 368356478 /nfs/dbraw/zinc/35/64/78/368356478.db2.gz JTXNKDDSRGTVCV-ZDUSSCGKSA-N 1 0 232.327 1.783 40 0 BDABRO CN(C)C(=O)c1cccc([C@H]2CCC[N@@H+]2C)n1 ZINC000205697300 368358479 /nfs/dbraw/zinc/35/84/79/368358479.db2.gz WBKCULCXKRRTJW-GFCCVEGCSA-N 1 0 233.315 1.550 40 0 BDABRO CCN(C(C)=O)[C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC000205703530 368359770 /nfs/dbraw/zinc/35/97/70/368359770.db2.gz KJQRNCXFIBVENI-LBPRGKRZSA-N 1 0 240.347 1.156 40 0 BDABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000205701021 368360187 /nfs/dbraw/zinc/36/01/87/368360187.db2.gz ZVUDSIYLERMVKA-LBPRGKRZSA-N 1 0 247.342 1.349 40 0 BDABRO COC(=O)c1ccc([C@H]2CSCC[NH2+]2)cc1 ZINC000207428294 368361133 /nfs/dbraw/zinc/36/11/33/368361133.db2.gz VYPADCDJLBYQCO-LLVKDONJSA-N 1 0 237.324 1.851 40 0 BDABRO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 ZINC000011885871 181437234 /nfs/dbraw/zinc/43/72/34/181437234.db2.gz URHLIEZUUMCYOY-GFCCVEGCSA-N 1 0 240.734 1.500 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@H]1c1ccc(Cl)cc1 ZINC000062713476 181469716 /nfs/dbraw/zinc/46/97/16/181469716.db2.gz NJYRNIMNZFYCPB-QWRGUYRKSA-N 1 0 211.692 1.765 40 0 BDABRO [NH3+][C@@H]1COC[C@@H]1Nc1ccc(Cl)cc1 ZINC000218677999 181596125 /nfs/dbraw/zinc/59/61/25/181596125.db2.gz NCKCBWMEFGIHAU-ZJUUUORDSA-N 1 0 212.680 1.478 40 0 BDABRO CC[C@H]1C[NH2+][C@H](C)CN1C(=O)OC(C)(C)C ZINC000022011480 371511661 /nfs/dbraw/zinc/51/16/61/371511661.db2.gz PDQANZVZHPLKDA-ZJUUUORDSA-N 1 0 228.336 1.994 40 0 BDABRO Nc1c[nH+]ccc1NC[C@H](O)c1ccccc1 ZINC000002017282 181769630 /nfs/dbraw/zinc/76/96/30/181769630.db2.gz BTBAJOKMSMQTKI-ZDUSSCGKSA-N 1 0 229.283 1.809 40 0 BDABRO [NH3+][C@H]1C[C@H](C(F)(F)F)C[C@@H]2OCC[C@@H]21 ZINC000225763111 371575092 /nfs/dbraw/zinc/57/50/92/371575092.db2.gz JDVVYQROBUQBAO-YWIQKCBGSA-N 1 0 209.211 1.691 40 0 BDABRO O=C(C[C@@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000020597493 182016775 /nfs/dbraw/zinc/01/67/75/182016775.db2.gz ZFXQMLGDIXYJGT-LBPRGKRZSA-N 1 0 224.348 1.921 40 0 BDABRO Clc1cc(NC[C@H]2CCC[NH2+]C2)ncn1 ZINC000040434324 373262388 /nfs/dbraw/zinc/26/23/88/373262388.db2.gz RVNXAMOKXRRDSR-QMMMGPOBSA-N 1 0 226.711 1.542 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000040434917 373263865 /nfs/dbraw/zinc/26/38/65/373263865.db2.gz PMQZMAZMQPLHRI-JTQLQIEISA-N 1 0 225.723 1.658 40 0 BDABRO O=C(NC1CCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000096054127 182107973 /nfs/dbraw/zinc/10/79/73/182107973.db2.gz PXAQESPEAIPIIP-GHMZBOCLSA-N 1 0 237.347 1.180 40 0 BDABRO O=C(NC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000004293965 182116183 /nfs/dbraw/zinc/11/61/83/182116183.db2.gz IEGGLLUYCOSVIB-UHFFFAOYSA-N 1 0 238.718 1.822 40 0 BDABRO O=C(NC[C@H]1CC[NH2+]C1)OCc1ccccc1 ZINC000039951988 182243083 /nfs/dbraw/zinc/24/30/83/182243083.db2.gz QGZPSEQCVNAHGG-LBPRGKRZSA-N 1 0 234.299 1.522 40 0 BDABRO O=C(Nc1cccc(F)c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000038076575 182370061 /nfs/dbraw/zinc/37/00/61/182370061.db2.gz YDYKSMTZFRFGSA-JOYOIKCWSA-N 1 0 249.289 1.651 40 0 BDABRO O=C1COC2(CC[NH2+]CC2)c2ccccc2N1 ZINC000096053555 182767510 /nfs/dbraw/zinc/76/75/10/182767510.db2.gz LQEMNOYMNYNEOX-UHFFFAOYSA-N 1 0 232.283 1.234 40 0 BDABRO OCC[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000256054484 183078920 /nfs/dbraw/zinc/07/89/20/183078920.db2.gz WMNGQXCOMIXVHU-UHFFFAOYSA-N 1 0 209.293 1.080 40 0 BDABRO O[C@@H](C[NH2+]C1CC1)COc1ccc(Cl)cc1 ZINC000032099997 183178041 /nfs/dbraw/zinc/17/80/41/183178041.db2.gz RUXHKSZLGZBVRB-NSHDSACASA-N 1 0 241.718 1.832 40 0 BDABRO O[C@@H]1CC[N@H+]([C@@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200042 183199476 /nfs/dbraw/zinc/19/94/76/183199476.db2.gz YGNNPJYPCIQFKX-QLFBSQMISA-N 1 0 247.338 1.453 40 0 BDABRO c1c2c(nnc1OCC1CCC1)CC[NH2+]C2 ZINC000328579598 183321806 /nfs/dbraw/zinc/32/18/06/183321806.db2.gz QPRFIJVTRPXNGY-UHFFFAOYSA-N 1 0 219.288 1.301 40 0 BDABRO c1c[nH]c(-c2nccnc2C[C@H]2CCC[NH2+]C2)n1 ZINC000257309286 183323104 /nfs/dbraw/zinc/32/31/04/183323104.db2.gz UAIHBZXKQHHURR-SNVBAGLBSA-N 1 0 243.314 1.409 40 0 BDABRO c1cc(-c2ncnc3c2CC[NH2+]CC3)ccn1 ZINC000096187633 183332049 /nfs/dbraw/zinc/33/20/49/183332049.db2.gz KXKPSJDLOHUAHD-UHFFFAOYSA-N 1 0 226.283 1.227 40 0 BDABRO c1cc(CN2CC[NH2+]CC2)n(C2CC2)c1 ZINC000082639944 183343793 /nfs/dbraw/zinc/34/37/93/183343793.db2.gz NDCDWDAVCDWYGP-UHFFFAOYSA-N 1 0 205.305 1.228 40 0 BDABRO c1[nH]nc2ccc(O[C@@H]3CCC[NH2+]C3)cc12 ZINC000080442787 183364890 /nfs/dbraw/zinc/36/48/90/183364890.db2.gz BQSDKFJPDIYXMH-LLVKDONJSA-N 1 0 217.272 1.694 40 0 BDABRO c1cc2c(C[C@@H]3C[NH2+]CCOC3)nccn2c1 ZINC000257198090 183364922 /nfs/dbraw/zinc/36/49/22/183364922.db2.gz SJKIHVBQCCKKDU-LLVKDONJSA-N 1 0 231.299 1.113 40 0 BDABRO c1cc([C@H]2CCC[N@H+](C3CCOCC3)C2)n[nH]1 ZINC000072381923 183361864 /nfs/dbraw/zinc/36/18/64/183361864.db2.gz WYZYXDBMWZCZAM-NSHDSACASA-N 1 0 235.331 1.768 40 0 BDABRO c1cc(CN2CC[NH2+]CC2)n(-c2ccccc2)c1 ZINC000225309908 183386422 /nfs/dbraw/zinc/38/64/22/183386422.db2.gz CZRRGUWRJJRAEH-UHFFFAOYSA-N 1 0 241.338 1.883 40 0 BDABRO c1ccc(O[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000306124277 183421982 /nfs/dbraw/zinc/42/19/82/183421982.db2.gz BLLNFLDJCUZTAR-DGCLKSJQSA-N 1 0 234.299 1.372 40 0 BDABRO CCC[NH2+][C@H]1CCc2nc(N)sc2C1=O ZINC000065748333 169292433 /nfs/dbraw/zinc/29/24/33/169292433.db2.gz ZOCPEKBIHMIJSC-LURJTMIESA-N 1 0 225.317 1.222 40 0 in-vitro BDABRO c1cc([C@H]2CC[NH2+]C2)nc(Nc2cncnc2)n1 ZINC000072354557 183547399 /nfs/dbraw/zinc/54/73/99/183547399.db2.gz WEPPOTSZXURICR-VIFPVBQESA-N 1 0 242.286 1.087 40 0 BDABRO C[C@H](CC[NH3+])n1nc(C(F)(F)F)ccc1=O ZINC000575622664 383877963 /nfs/dbraw/zinc/87/79/63/383877963.db2.gz OLQTTWRUSOKYRM-ZCFIWIBFSA-N 1 0 235.209 1.172 40 0 BDABRO C[C@@H]1Cc2ccc(OCC[NH+](C)C)cc2[C@@H]1O ZINC000001668191 383918454 /nfs/dbraw/zinc/91/84/54/383918454.db2.gz CEOBYMIETDTWSK-QMTHXVAHSA-N 1 0 235.327 1.853 40 0 BDABRO COc1ccc(CN(C(=O)[C@H](C)[NH3+])C2CC2)cc1 ZINC000037801557 383889129 /nfs/dbraw/zinc/88/91/29/383889129.db2.gz UPPSMFPFNAIWEO-JTQLQIEISA-N 1 0 248.326 1.533 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC000091304827 384116917 /nfs/dbraw/zinc/11/69/17/384116917.db2.gz VMUXGMBHACBHJJ-KXUCPTDWSA-N 1 0 226.320 1.591 40 0 BDABRO c1ccc(CN2[C@@H]3CC[C@H]2C[NH2+]C3)cc1 ZINC000038846440 384093413 /nfs/dbraw/zinc/09/34/13/384093413.db2.gz KQCFTYDLIJTKLE-BETUJISGSA-N 1 0 202.301 1.623 40 0 BDABRO C[NH+](C)CCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000005509015 384119153 /nfs/dbraw/zinc/11/91/53/384119153.db2.gz FLMRCMWDPRPBGI-OLZOCXBDSA-N 1 0 232.327 1.468 40 0 BDABRO CSc1nccnc1CN(CC[NH3+])C1CC1 ZINC000079422253 384146921 /nfs/dbraw/zinc/14/69/21/384146921.db2.gz BMYADAJFEMZLJV-UHFFFAOYSA-N 1 0 238.360 1.122 40 0 BDABRO C[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(=O)[nH]1 ZINC000408731657 384204811 /nfs/dbraw/zinc/20/48/11/384204811.db2.gz OMVYNGIWKYCWOO-UHFFFAOYSA-N 1 0 245.282 1.520 40 0 BDABRO Cc1ccc(C[C@H]2CCC[N@H+](CCO)C2)nc1 ZINC000072381361 384217099 /nfs/dbraw/zinc/21/70/99/384217099.db2.gz JYZRDLACBYNHKP-CYBMUJFWSA-N 1 0 234.343 1.637 40 0 BDABRO C[NH+](C)CC(=O)N1CCC[C@H](c2ccncc2)C1 ZINC000072382045 384219895 /nfs/dbraw/zinc/21/98/95/384219895.db2.gz NTPSEWMCIFGLGN-ZDUSSCGKSA-N 1 0 247.342 1.349 40 0 BDABRO Cn1ccnc1C[C@@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000072381942 384220011 /nfs/dbraw/zinc/22/00/11/384220011.db2.gz ICIQXDBUKQZMMQ-LBPRGKRZSA-N 1 0 249.358 1.464 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccsc1 ZINC000095942465 384416667 /nfs/dbraw/zinc/41/66/67/384416667.db2.gz SKHDMTAEEVBFQP-BDAKNGLRSA-N 1 0 211.286 1.224 40 0 BDABRO O=C1CCC[C@H]2[NH2+]C[C@@H](c3cccc(F)c3)[C@@H]2N1 ZINC000095951678 384419600 /nfs/dbraw/zinc/41/96/00/384419600.db2.gz RKJMJKFYRCNIRL-SCRDCRAPSA-N 1 0 248.301 1.550 40 0 biogenic BDABRO Cc1ccc(C[NH+]2CCC3(CCNC3=O)CC2)o1 ZINC000096046690 384427200 /nfs/dbraw/zinc/42/72/00/384427200.db2.gz HSWHBFYQMNTRJP-UHFFFAOYSA-N 1 0 248.326 1.690 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]2CC(C[NH3+])C[C@@H]2C1 ZINC000076685764 384381969 /nfs/dbraw/zinc/38/19/69/384381969.db2.gz RJVLJEBUNGKANQ-FGWVZKOKSA-N 1 0 240.347 1.838 40 0 BDABRO CCCCOCCC[NH2+]C[C@H](C)C(=O)OC ZINC000047219157 384446996 /nfs/dbraw/zinc/44/69/96/384446996.db2.gz YCWIPQYSLFYFGK-NSHDSACASA-N 1 0 231.336 1.592 40 0 BDABRO CN1C(=O)CCC[C@]12CCC[N@H+](CC1CC1)C2 ZINC000096049980 384428536 /nfs/dbraw/zinc/42/85/36/384428536.db2.gz MMCGWSQUHXESLZ-CQSZACIVSA-N 1 0 236.359 1.873 40 0 BDABRO O=C1CCC[C@]2(CCC[N@H+](Cc3ccco3)C2)N1 ZINC000096049929 384428797 /nfs/dbraw/zinc/42/87/97/384428797.db2.gz VOEXIPJBPUPDRX-CQSZACIVSA-N 1 0 248.326 1.914 40 0 BDABRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccoc1 ZINC000096056462 384429625 /nfs/dbraw/zinc/42/96/25/384429625.db2.gz DMIPJGFHFUHKSS-VXGBXAGGSA-N 1 0 234.299 1.475 40 0 BDABRO O=C(C1CC1)N1CCC2(CCC[NH2+]2)CC1 ZINC000096049367 384429702 /nfs/dbraw/zinc/42/97/02/384429702.db2.gz VUTQIYQPWVJJIL-UHFFFAOYSA-N 1 0 208.305 1.141 40 0 BDABRO c1ccc(NC[C@H]2CCC[C@]3(CC[NH2+]C3)O2)nc1 ZINC000096217149 384442760 /nfs/dbraw/zinc/44/27/60/384442760.db2.gz AOAVDBPSBLKJRZ-TZMCWYRMSA-N 1 0 247.342 1.795 40 0 BDABRO COCc1cncc2c1CC[N@H+](CC1CC1)C2 ZINC000096189297 384443168 /nfs/dbraw/zinc/44/31/68/384443168.db2.gz ZKCSHIPCBXGJNN-UHFFFAOYSA-N 1 0 232.327 1.996 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000079033814 384480643 /nfs/dbraw/zinc/48/06/43/384480643.db2.gz WHVRANRQYMSGMH-QWRGUYRKSA-N 1 0 240.347 1.995 40 0 BDABRO c1ccc2c(c1)CCN(NCC[NH+]1CCCC1)C2 ZINC000019167162 384509455 /nfs/dbraw/zinc/50/94/55/384509455.db2.gz JTLGQLWDFJJXAM-UHFFFAOYSA-N 1 0 245.370 1.645 40 0 BDABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000097758701 384555006 /nfs/dbraw/zinc/55/50/06/384555006.db2.gz HODGRZURVLFVKM-AEJSXWLSSA-N 1 0 226.320 1.509 40 0 BDABRO COc1cc(C[NH3+])ccc1[C@H]1CCNC(=O)C1 ZINC000199775569 384540322 /nfs/dbraw/zinc/54/03/22/384540322.db2.gz SWYCEPHDXUVISZ-JTQLQIEISA-N 1 0 234.299 1.148 40 0 BDABRO O=C1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C1)C2=O ZINC000098090362 384590090 /nfs/dbraw/zinc/59/00/90/384590090.db2.gz MDUBSGPAIQUGGK-BETUJISGSA-N 1 0 243.306 1.667 40 0 BDABRO [NH3+]CCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000041141881 384606240 /nfs/dbraw/zinc/60/62/40/384606240.db2.gz DDAXFQSWMVSKIL-UHFFFAOYSA-N 1 0 205.236 1.717 40 0 BDABRO Cc1cc(C(F)(F)Cl)nn1CC[NH3+] ZINC000020313048 384613452 /nfs/dbraw/zinc/61/34/52/384613452.db2.gz KHBVKQKSLPDLJS-UHFFFAOYSA-N 1 0 209.627 1.438 40 0 BDABRO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000082305809 384663765 /nfs/dbraw/zinc/66/37/65/384663765.db2.gz FWYVSUHKTKWJEY-CQSZACIVSA-N 1 0 246.354 1.953 40 0 BDABRO Cn1ncc(C[NH3+])c1C[N@H+](C)C1CCCCC1 ZINC000408715793 384701423 /nfs/dbraw/zinc/70/14/23/384701423.db2.gz DTMBTWVKGBMXEQ-UHFFFAOYSA-N 1 0 236.363 1.643 40 0 BDABRO CCn1c(=O)c2cnccc2nc1[C@H]1CCC[NH2+]1 ZINC000242548507 384757636 /nfs/dbraw/zinc/75/76/36/384757636.db2.gz LOZDEDFSSVYBQA-LLVKDONJSA-N 1 0 244.298 1.236 40 0 BDABRO CC[C@H](NC(=O)[C@H](C)[NH3+])c1ccccc1 ZINC000051628306 384822420 /nfs/dbraw/zinc/82/24/20/384822420.db2.gz BVPRIMPISJNHNB-ONGXEEELSA-N 1 0 206.289 1.601 40 0 BDABRO COc1c(C)cccc1C[NH2+]C[C@H](C)O ZINC000095094819 384960580 /nfs/dbraw/zinc/96/05/80/384960580.db2.gz CYJXVHPTBNTPIN-JTQLQIEISA-N 1 0 209.289 1.474 40 0 BDABRO c1csc(CN2CC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000107254783 384959348 /nfs/dbraw/zinc/95/93/48/384959348.db2.gz QJEQDJYDJNMIBW-NXEZZACHSA-N 1 0 223.345 1.327 40 0 BDABRO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH3+] ZINC000072208923 385065203 /nfs/dbraw/zinc/06/52/03/385065203.db2.gz CCDGWMGDQSLCED-RKDXNWHRSA-N 1 0 216.325 1.883 40 0 BDABRO CCOC(=O)[C@H](CN)C(C)(C)[NH+]1CCCCC1 ZINC000072210411 385067796 /nfs/dbraw/zinc/06/77/96/385067796.db2.gz CXMCKQVVDZAKDK-NSHDSACASA-N 1 0 242.363 1.389 40 0 BDABRO CCOC(=O)[C@@H](N)[C@](C)(CC)[NH+]1CCCCC1 ZINC000072210579 385068116 /nfs/dbraw/zinc/06/81/16/385068116.db2.gz ZHXJDVYDYSMPDL-YPMHNXCESA-N 1 0 242.363 1.531 40 0 BDABRO CN(C)c1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072212669 385079375 /nfs/dbraw/zinc/07/93/75/385079375.db2.gz HCWBSQRLVJOZMV-LLVKDONJSA-N 1 0 205.305 1.962 40 0 BDABRO CCOCCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000059231739 385043519 /nfs/dbraw/zinc/04/35/19/385043519.db2.gz GZQWRZNBODJVHK-CQSZACIVSA-N 1 0 234.343 1.669 40 0 BDABRO CC[NH+]1CCN(c2ncc([C@H](C)O)cc2C)CC1 ZINC000072222586 385113369 /nfs/dbraw/zinc/11/33/69/385113369.db2.gz ZSUVPGWMEVXJLL-LBPRGKRZSA-N 1 0 249.358 1.585 40 0 BDABRO C=Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000072225557 385123318 /nfs/dbraw/zinc/12/33/18/385123318.db2.gz XSZYFIRTDIGAMM-UHFFFAOYSA-N 1 0 217.316 1.867 40 0 BDABRO C[C@@H]([NH3+])c1ccc(I)nc1 ZINC000072225935 385126229 /nfs/dbraw/zinc/12/62/29/385126229.db2.gz WIMAFHBZABIJEA-RXMQYKEDSA-N 1 0 248.067 1.706 40 0 BDABRO c1ccc2c(c1)C[NH+](CCCN1CCOCC1)C2 ZINC000031622994 385090450 /nfs/dbraw/zinc/09/04/50/385090450.db2.gz USNNBKXIDYBFJT-UHFFFAOYSA-N 1 0 246.354 1.725 40 0 BDABRO CN(C)[C@H](C[NH3+])c1cc(Cl)cs1 ZINC000072220819 385098891 /nfs/dbraw/zinc/09/88/91/385098891.db2.gz FLHHHDFMNIDNPA-SSDOTTSWSA-N 1 0 204.726 1.963 40 0 BDABRO Cc1cc([C@H]2CCC[NH2+]2)cnc1N(C)C ZINC000072218603 385099755 /nfs/dbraw/zinc/09/97/55/385099755.db2.gz LPNLTCJKWYWBOO-LLVKDONJSA-N 1 0 205.305 1.881 40 0 BDABRO Cc1ccoc1[C@H](O)C1(C[NH3+])CCOCC1 ZINC000085395959 385159622 /nfs/dbraw/zinc/15/96/22/385159622.db2.gz TUSZRUQWIZRKKB-NSHDSACASA-N 1 0 225.288 1.377 40 0 BDABRO CC(C)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000062615429 385245981 /nfs/dbraw/zinc/24/59/81/385245981.db2.gz FXQBXYJXSIJDGO-CYBMUJFWSA-N 1 0 232.327 1.816 40 0 BDABRO CC(C)Cn1cccc([C@H]2CCC[NH2+]2)c1=O ZINC000096510365 385248649 /nfs/dbraw/zinc/24/86/49/385248649.db2.gz JNQPYADPOGVZOQ-GFCCVEGCSA-N 1 0 220.316 1.929 40 0 BDABRO CCCn1cccc([C@@H]2CCC[NH2+]2)c1=O ZINC000096510362 385249479 /nfs/dbraw/zinc/24/94/79/385249479.db2.gz GWKLBOOAGSLXNH-NSHDSACASA-N 1 0 206.289 1.683 40 0 BDABRO COC(=O)c1cnc(C)nc1C1CC[NH2+]CC1 ZINC000096517128 385254860 /nfs/dbraw/zinc/25/48/60/385254860.db2.gz BKGPGGMLKVNBQZ-UHFFFAOYSA-N 1 0 235.287 1.039 40 0 BDABRO [NH3+]C[C@H](O)COCc1ccc(Cl)c(F)c1 ZINC000095096224 385204606 /nfs/dbraw/zinc/20/46/06/385204606.db2.gz BHXMUPHPLANJTB-QMMMGPOBSA-N 1 0 233.670 1.315 40 0 BDABRO CN1C(=O)C(c2ccccc2)=N[C@@]12CCC[NH2+]C2 ZINC000096516440 385258313 /nfs/dbraw/zinc/25/83/13/385258313.db2.gz BRZXSLZPJRIPNK-AWEZNQCLSA-N 1 0 243.310 1.027 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2cc(C3CC3)n[nH]2)C1 ZINC000096523558 385268639 /nfs/dbraw/zinc/26/86/39/385268639.db2.gz QQNRWURYYGPADG-JTQLQIEISA-N 1 0 220.320 1.210 40 0 BDABRO CC[C@H]([C@H]([NH3+])c1ccccc1C)S(C)(=O)=O ZINC000096524900 385278754 /nfs/dbraw/zinc/27/87/54/385278754.db2.gz QZDWTXYMANREPD-VXGBXAGGSA-N 1 0 241.356 1.818 40 0 BDABRO FC(F)(F)[C@@]1(OCC2CC2)CC[NH2+]C1 ZINC000096529916 385285897 /nfs/dbraw/zinc/28/58/97/385285897.db2.gz SKLKFVZYBMIMLZ-MRVPVSSYSA-N 1 0 209.211 1.707 40 0 BDABRO COc1ccc(Cn2cncc2C[NH3+])cc1F ZINC000409424406 385332336 /nfs/dbraw/zinc/33/23/36/385332336.db2.gz ZSFCYAOEJAJVNA-UHFFFAOYSA-N 1 0 235.262 1.538 40 0 BDABRO CC[C@@H]([NH3+])CN(C)c1cnnc2ccccc21 ZINC000095097474 385427617 /nfs/dbraw/zinc/42/76/17/385427617.db2.gz CROBULOUGXKZIL-SNVBAGLBSA-N 1 0 230.315 1.803 40 0 BDABRO Cc1noc([C@H]2C[NH2+]C[C@H]2c2ccccc2)n1 ZINC000328579577 385491717 /nfs/dbraw/zinc/49/17/17/385491717.db2.gz PORBAEOFKOZWTA-RYUDHWBXSA-N 1 0 229.283 1.849 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@@H]([NH3+])C1 ZINC000250595830 385603427 /nfs/dbraw/zinc/60/34/27/385603427.db2.gz RGUXKOMAMWNWBO-HLTSFMKQSA-N 1 0 212.293 1.201 40 0 BDABRO CC(C)CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000063528221 385620022 /nfs/dbraw/zinc/62/00/22/385620022.db2.gz XKUNWTGQIPZCDJ-UHFFFAOYSA-N 1 0 224.348 1.635 40 0 BDABRO NNc1cc2c(n[nH+]1)-c1ccccc1CCC2 ZINC000054931339 385639535 /nfs/dbraw/zinc/63/95/35/385639535.db2.gz QZIUIFLAIPSBTH-UHFFFAOYSA-N 1 0 226.283 1.918 40 0 BDABRO CCOc1ccc([C@H]2C[C@@]2(C[NH3+])CO)cc1 ZINC000062713328 385693430 /nfs/dbraw/zinc/69/34/30/385693430.db2.gz PLJBQSGICFBIDR-CHWSQXEVSA-N 1 0 221.300 1.510 40 0 BDABRO Cc1cc(C)nc([C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000257295914 385761365 /nfs/dbraw/zinc/76/13/65/385761365.db2.gz RALIEGDJDCHAIT-GFCCVEGCSA-N 1 0 235.331 1.265 40 0 BDABRO Cc1cc(-c2cc(C)nc([C@@H]3CCC[NH2+]3)n2)n[nH]1 ZINC000257327260 385765317 /nfs/dbraw/zinc/76/53/17/385765317.db2.gz XARRJCUQGYBRCU-JTQLQIEISA-N 1 0 243.314 1.908 40 0 BDABRO c1ccc(OC[C@@H]2CCC[C@@]23C[NH2+]CCO3)nc1 ZINC000306129945 385991329 /nfs/dbraw/zinc/99/13/29/385991329.db2.gz IROSTHSIRJZWMN-GXTWGEPZSA-N 1 0 248.326 1.619 40 0 BDABRO [NH3+][C@@H]1COC[C@@H]1Nc1cccc(C(F)(F)F)c1 ZINC000218678722 386264939 /nfs/dbraw/zinc/26/49/39/386264939.db2.gz BUJHTNQNWWTXLA-ZJUUUORDSA-N 1 0 246.232 1.843 40 0 BDABRO [NH3+][C@@H]1COC[C@H]1Nc1cccc(C(F)(F)F)c1 ZINC000218678872 386265630 /nfs/dbraw/zinc/26/56/30/386265630.db2.gz BUJHTNQNWWTXLA-NXEZZACHSA-N 1 0 246.232 1.843 40 0 BDABRO CC[NH+](CC)C[C@H]1CN(C)Cc2ccnn21 ZINC000248080028 386743999 /nfs/dbraw/zinc/74/39/99/386743999.db2.gz AHBWNXAWONMLCO-GFCCVEGCSA-N 1 0 222.336 1.211 40 0 BDABRO C[C@H]1CCCN(c2ccncc2C[NH3+])C1 ZINC000088114699 386824520 /nfs/dbraw/zinc/82/45/20/386824520.db2.gz UISRPZWNRQHEQU-JTQLQIEISA-N 1 0 205.305 1.777 40 0 BDABRO CC1CCN(c2ccncc2C[NH3+])CC1 ZINC000088114624 386826373 /nfs/dbraw/zinc/82/63/73/386826373.db2.gz MQSUWZMTWYTINJ-UHFFFAOYSA-N 1 0 205.305 1.777 40 0 BDABRO c1c(CN2CCC[NH2+]CC2)nc2ccccn12 ZINC000019395465 386959669 /nfs/dbraw/zinc/95/96/69/386959669.db2.gz GMFPENFQEZFGQU-UHFFFAOYSA-N 1 0 230.315 1.130 40 0 BDABRO CCn1cc(-c2noc([C@H]3CCC[NH2+]3)n2)c(C)n1 ZINC000575410859 387012038 /nfs/dbraw/zinc/01/20/38/387012038.db2.gz NMWOXDYHUJQHKR-SNVBAGLBSA-N 1 0 247.302 1.686 40 0 BDABRO c1ccc(OC[C@@H]2C[C@H]3[NH2+]CCO[C@@H]3C2)nc1 ZINC000096250530 387025834 /nfs/dbraw/zinc/02/58/34/387025834.db2.gz IMNVOPBCAIYZKB-IJLUTSLNSA-N 1 0 234.299 1.227 40 0 BDABRO O=C1Nc2ccc(F)cc2C12CC[NH2+]CC2 ZINC000098213799 387153127 /nfs/dbraw/zinc/15/31/27/387153127.db2.gz JNJZHRUOAQWSEA-UHFFFAOYSA-N 1 0 220.247 1.399 40 0 BDABRO C[NH2+][C@@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000053203315 387539730 /nfs/dbraw/zinc/53/97/30/387539730.db2.gz XQAPNXODRNBAJZ-LLVKDONJSA-N 1 0 239.750 1.919 40 0 BDABRO Cc1nn(C)cc1C[NH2+]Cc1cccn1C ZINC000020351164 387848746 /nfs/dbraw/zinc/84/87/46/387848746.db2.gz PSQKELJXUHTVQR-UHFFFAOYSA-N 1 0 218.304 1.357 40 0 BDABRO Cc1c(C[NH2+]Cc2cnn(C)c2)cnn1C(C)C ZINC000256053116 387860203 /nfs/dbraw/zinc/86/02/03/387860203.db2.gz QCGKRINNVVNOMP-UHFFFAOYSA-N 1 0 247.346 1.796 40 0 BDABRO CCCn1cc(C[NH2+]C[C@H]2CCCO2)c(C)n1 ZINC000256052391 387860894 /nfs/dbraw/zinc/86/08/94/387860894.db2.gz NDIFJXAFOZPGQW-CYBMUJFWSA-N 1 0 237.347 1.870 40 0 BDABRO Cc1c(C[NH2+]CCCCO)cnn1C(C)C ZINC000256055067 387862170 /nfs/dbraw/zinc/86/21/70/387862170.db2.gz YZTPUPVGWSIECH-UHFFFAOYSA-N 1 0 225.336 1.635 40 0 BDABRO CN[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000050269868 387955618 /nfs/dbraw/zinc/95/56/18/387955618.db2.gz RBMGQIGSLPNJAN-VIFPVBQESA-N 1 0 247.111 1.807 40 0 BDABRO C[C@@H]([NH2+][C@H]1CCCSC1)[C@@H]1CN(C)CCO1 ZINC000195558693 388168537 /nfs/dbraw/zinc/16/85/37/388168537.db2.gz KNWZWXIIIKKQEL-WOPDTQHZSA-N 1 0 244.404 1.191 40 0 BDABRO CCS(=O)(=O)C[C@@H](C[NH3+])C1CCCCC1 ZINC000217770693 388381070 /nfs/dbraw/zinc/38/10/70/388381070.db2.gz BNOSEPPAWZCHDJ-LLVKDONJSA-N 1 0 233.377 1.576 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1F ZINC000242688669 388400949 /nfs/dbraw/zinc/40/09/49/388400949.db2.gz VWHZWDWGOAOBKG-WDEREUQCSA-N 1 0 237.274 1.644 40 0 BDABRO CCOC(=O)NCc1ccc([C@H]2CCC[NH2+]2)o1 ZINC000217460814 256840919 /nfs/dbraw/zinc/84/09/19/256840919.db2.gz BNQOORUKDQELKB-SNVBAGLBSA-N 1 0 238.287 1.950 40 0 BDABRO Cc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000095067835 388590979 /nfs/dbraw/zinc/59/09/79/388590979.db2.gz RGCSVCJROHGGOU-CYBMUJFWSA-N 1 0 204.317 1.837 40 0 BDABRO Cc1nc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000080692493 388615521 /nfs/dbraw/zinc/61/55/21/388615521.db2.gz QRNGEHYHQGMPEV-AOOOYVTPSA-N 1 0 223.345 1.103 40 0 BDABRO Cc1ccc(O[C@@H]2C[C@@H]3C[NH2+]CCN3C2)cc1 ZINC000107243937 388615780 /nfs/dbraw/zinc/61/57/80/388615780.db2.gz HBGDTJGRCMSULY-TZMCWYRMSA-N 1 0 232.327 1.420 40 0 BDABRO FC(F)(F)CN1CC[NH2+][C@@H]2CCC[C@H]21 ZINC000218846640 388586067 /nfs/dbraw/zinc/58/60/67/388586067.db2.gz UMQQIUAWJQDGNR-HTQZYQBOSA-N 1 0 208.227 1.375 40 0 BDABRO Fc1cc(C(F)(F)F)cnc1N1CC[NH2+]CC1 ZINC000091690757 388671464 /nfs/dbraw/zinc/67/14/64/388671464.db2.gz MUONIPDFCCBLEH-UHFFFAOYSA-N 1 0 249.211 1.649 40 0 BDABRO CCOC[C@@H]1C[NH2+]Cc2ncn(CC3CC3)c21 ZINC000306128941 388629723 /nfs/dbraw/zinc/62/97/23/388629723.db2.gz HOTKJQXEBQDRTD-NSHDSACASA-N 1 0 235.331 1.516 40 0 BDABRO Cn1c[nH+]c2c1NC[C@@H](C(F)(F)F)C2 ZINC000110751016 388649984 /nfs/dbraw/zinc/64/99/84/388649984.db2.gz GLORIRWQDFZSPP-YFKPBYRVSA-N 1 0 205.183 1.567 40 0 BDABRO NNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC000062203239 388650272 /nfs/dbraw/zinc/65/02/72/388650272.db2.gz AOQIMTVGVSKQMM-UHFFFAOYSA-N 1 0 244.233 1.240 40 0 BDABRO [NH3+]CCc1ccccc1I ZINC000038977571 388651457 /nfs/dbraw/zinc/65/14/57/388651457.db2.gz YNDYXJUDBNYUBF-UHFFFAOYSA-N 1 0 247.079 1.792 40 0 BDABRO [NH3+][C@@H](Cc1ccccc1)CN1CCC[C@H]1CO ZINC000252486093 388653184 /nfs/dbraw/zinc/65/31/84/388653184.db2.gz FBGLDEKTMMVMJS-KBPBESRZSA-N 1 0 234.343 1.013 40 0 BDABRO COc1ccc([C@H]2C[C@]2(C[NH3+])CO)cc1OC ZINC000062713408 388655259 /nfs/dbraw/zinc/65/52/59/388655259.db2.gz AWXFMNQIYDUJFS-MFKMUULPSA-N 1 0 237.299 1.129 40 0 BDABRO CCCC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062717792 388655848 /nfs/dbraw/zinc/65/58/48/388655848.db2.gz CYNVTUTUIJOCKN-UHFFFAOYSA-N 1 0 234.347 1.967 40 0 BDABRO CCOc1cc(N[C@H]2CCC[NH2+]C2)ncn1 ZINC000079438880 388696480 /nfs/dbraw/zinc/69/64/80/388696480.db2.gz OYBQHNWZNZNXBG-VIFPVBQESA-N 1 0 222.292 1.039 40 0 BDABRO Cc1c[nH]c(-c2cc(C[C@@H]3CC[NH2+]C3)ncn2)n1 ZINC000257205575 388698220 /nfs/dbraw/zinc/69/82/20/388698220.db2.gz AZSCCPPSMJOTFR-JTQLQIEISA-N 1 0 243.314 1.327 40 0 BDABRO [NH3+]C[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000011888341 388710865 /nfs/dbraw/zinc/71/08/65/388710865.db2.gz VMGWGONMSQMCKW-GFCCVEGCSA-N 1 0 222.307 1.996 40 0 BDABRO C([C@@H]1CCCO1)N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225711592 388841117 /nfs/dbraw/zinc/84/11/17/388841117.db2.gz JXGJYHMXVRWTCW-XQQFMLRXSA-N 1 0 224.348 1.382 40 0 BDABRO CCOC(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC000026898357 132333947 /nfs/dbraw/zinc/33/39/47/132333947.db2.gz MFHSHQIHYPPRMQ-UHFFFAOYSA-N 1 0 234.299 1.273 40 0 BDABRO Cc1cnc(N2CCC[C@@H]([NH3+])C2)nc1Cl ZINC000072203536 132396680 /nfs/dbraw/zinc/39/66/80/132396680.db2.gz MRHSIYSLKQXNGO-MRVPVSSYSA-N 1 0 226.711 1.366 40 0 BDABRO CC[C@H](C)CNC(=O)[C@H]([NH3+])CC(C)C ZINC000054473170 134763915 /nfs/dbraw/zinc/76/39/15/134763915.db2.gz SOWWQDYNXSVQGB-VHSXEESVSA-N 1 0 200.326 1.522 40 0 BDABRO O=C([C@@H]1CCCCC[NH2+]1)N1CCSCC1 ZINC000080993529 135385104 /nfs/dbraw/zinc/38/51/04/135385104.db2.gz RCKGHPJJUJBJEA-JTQLQIEISA-N 1 0 228.361 1.094 40 0 BDABRO Cc1c(C[NH3+])nnn1-c1ccc(F)cc1 ZINC000020391091 397963923 /nfs/dbraw/zinc/96/39/23/397963923.db2.gz PBGCMRLKKMZCCD-UHFFFAOYSA-N 1 0 206.224 1.174 40 0 BDABRO CCCn1nc(C)cc1C[NH2+]CCCOC ZINC000256049654 398040700 /nfs/dbraw/zinc/04/07/00/398040700.db2.gz AULKWIOFTDFANV-UHFFFAOYSA-N 1 0 225.336 1.728 40 0 BDABRO Brc1cccc(N[C@H]2CC[NH2+]C2)n1 ZINC000072203691 166101572 /nfs/dbraw/zinc/10/15/72/166101572.db2.gz SQSAORFSFWGGQT-ZETCQYMHSA-N 1 0 242.120 1.618 40 0 BDABRO CC(C)(C)[NH2+]C[C@H](O)c1ccc(O)cc1 ZINC000002040369 166633393 /nfs/dbraw/zinc/63/33/93/166633393.db2.gz JOGFUYPGDLRKHD-NSHDSACASA-N 1 0 209.289 1.814 40 0 BDABRO CC(C)[N@@H+]1CCc2[nH]c(=O)c(Cl)cc2C1 ZINC000096510617 167027665 /nfs/dbraw/zinc/02/76/65/167027665.db2.gz WROPBPLDCPVEHO-UHFFFAOYSA-N 1 0 226.707 1.795 40 0 BDABRO CC(C)Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328996718 167035627 /nfs/dbraw/zinc/03/56/27/167035627.db2.gz JMLXJMLLRRJGTF-UHFFFAOYSA-N 1 0 232.331 1.592 40 0 BDABRO CC(C)[NH2+]C[C@@H](O)COc1cccc2c1C=CC2 ZINC000000000389 167110646 /nfs/dbraw/zinc/11/06/46/167110646.db2.gz MPGBPFMOOXKQRX-CYBMUJFWSA-N 1 0 247.338 1.994 40 0 in-man BDABRO CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000062608784 168220963 /nfs/dbraw/zinc/22/09/63/168220963.db2.gz GFBPXXMWACDMRZ-GFCCVEGCSA-N 1 0 218.300 1.570 40 0 BDABRO CCS(=O)(=O)[C@H]1[C@H]([NH3+])[C@@H]1c1ccc(C)cc1 ZINC000218418523 411455300 /nfs/dbraw/zinc/45/53/00/411455300.db2.gz RHJJQEUGCMQWRN-QJPTWQEYSA-N 1 0 239.340 1.223 40 0 BDABRO [NH3+][C@@H]1C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218005311 411415182 /nfs/dbraw/zinc/41/51/82/411415182.db2.gz AHCXSLUQKZFUNX-BDAKNGLRSA-N 1 0 231.704 1.213 40 0 BDABRO CC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000054719272 170130610 /nfs/dbraw/zinc/13/06/10/170130610.db2.gz UHDWEJDRQCDRJJ-UHFFFAOYSA-N 1 0 207.199 1.555 40 0 BDABRO CCOC(=O)CC[NH2+]CCCOC(C)C ZINC000047219008 170208993 /nfs/dbraw/zinc/20/89/93/170208993.db2.gz DBXHQVUKWYGZLO-UHFFFAOYSA-N 1 0 217.309 1.344 40 0 BDABRO CCOc1cc(NCC2CC[NH2+]CC2)ncn1 ZINC000079439033 170525822 /nfs/dbraw/zinc/52/58/22/170525822.db2.gz QVPBOJGIZKDDFC-UHFFFAOYSA-N 1 0 236.319 1.287 40 0 BDABRO CCS(=O)(=O)C[C@H](C[NH3+])C1CCCC1 ZINC000217771192 170611764 /nfs/dbraw/zinc/61/17/64/170611764.db2.gz KBGKJZUZMTZQAD-JTQLQIEISA-N 1 0 219.350 1.186 40 0 BDABRO C[C@@H]1C[C@H]2C=CC=C[C@@H]2[N@@H+]1Cc1cc(N)nn1C ZINC000408716629 411913109 /nfs/dbraw/zinc/91/31/09/411913109.db2.gz OZGNYYJORXTVMQ-WZRBSPASSA-N 1 0 244.342 1.707 40 0 BDABRO CCn1c(SC)nnc1[C@H]1CCC[NH2+]C1 ZINC000005000660 172147788 /nfs/dbraw/zinc/14/77/88/172147788.db2.gz WRQDURBCYPSFLR-QMMMGPOBSA-N 1 0 226.349 1.487 40 0 BDABRO CCn1cc(CN(C)C[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000096523704 172160653 /nfs/dbraw/zinc/16/06/53/172160653.db2.gz QVAFMCSSNALYFU-ZDUSSCGKSA-N 1 0 236.363 1.395 40 0 BDABRO CCn1cc(C[NH2+]Cc2cc(C)nn2C)c(C)n1 ZINC000256049734 172172937 /nfs/dbraw/zinc/17/29/37/172172937.db2.gz BEONEWYRMNTGPQ-UHFFFAOYSA-N 1 0 247.346 1.543 40 0 BDABRO CCn1ccc(C[NH2+]CCCOC(C)C)n1 ZINC000256050928 172200851 /nfs/dbraw/zinc/20/08/51/172200851.db2.gz HATMENZUULBPEE-UHFFFAOYSA-N 1 0 225.336 1.808 40 0 BDABRO C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000095937468 173002530 /nfs/dbraw/zinc/00/25/30/173002530.db2.gz SMSDLQBMOVKECF-UHFFFAOYSA-N 1 0 240.347 1.949 40 0 BDABRO C[N@@H+]1CCC[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096071566 173061405 /nfs/dbraw/zinc/06/14/05/173061405.db2.gz NMFWIHPLHLUGLM-HNNXBMFYSA-N 1 0 245.370 1.999 40 0 BDABRO CN1CC[N@H+](C[C@@H]2CCOC2)Cc2cccnc21 ZINC000096198816 173086060 /nfs/dbraw/zinc/08/60/60/173086060.db2.gz CSYFYGNWCSOHCY-LBPRGKRZSA-N 1 0 247.342 1.370 40 0 BDABRO C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096187634 173173098 /nfs/dbraw/zinc/17/30/98/173173098.db2.gz ZHLPCNUZSZWHCM-UHFFFAOYSA-N 1 0 240.310 1.569 40 0 BDABRO C[N@@H+]1C[C@H](CO)[C@H](c2ccccc2F)C1 ZINC000217672332 173193283 /nfs/dbraw/zinc/19/32/83/173193283.db2.gz XTRXJCILCOVILR-MWLCHTKSSA-N 1 0 209.264 1.463 40 0 BDABRO C[NH2+]C1CCC(N(C(C)=O)C(C)C)CC1 ZINC000079438165 173322295 /nfs/dbraw/zinc/32/22/95/173322295.db2.gz QEJLWFXNQCTMFB-UHFFFAOYSA-N 1 0 212.337 1.774 40 0 BDABRO C[NH2+]CC(=O)Nc1cccc(C(C)=O)c1 ZINC000040414474 173334057 /nfs/dbraw/zinc/33/40/57/173334057.db2.gz WOHKPXUBPGNEQA-UHFFFAOYSA-N 1 0 206.245 1.047 40 0 BDABRO C[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072203597 173367072 /nfs/dbraw/zinc/36/70/72/173367072.db2.gz MDSFYYLVYHYPGW-JTQLQIEISA-N 1 0 228.336 1.995 40 0 BDABRO C[NH2+]C[C@H](OC)c1ccc2c(c1)OCCO2 ZINC000062711459 173377711 /nfs/dbraw/zinc/37/77/11/173377711.db2.gz GQJWWYBDPBQDGF-LBPRGKRZSA-N 1 0 223.272 1.365 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(F)c1 ZINC000008699280 173823168 /nfs/dbraw/zinc/82/31/68/173823168.db2.gz DHNONVNQXOJHJT-QWRGUYRKSA-N 1 0 223.247 1.302 40 0 BDABRO COC(=O)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC000044135344 173897049 /nfs/dbraw/zinc/89/70/49/173897049.db2.gz IXMKHFGBZYSDRQ-LLVKDONJSA-N 1 0 205.257 1.898 40 0 BDABRO COCCC(=O)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257209971 174126414 /nfs/dbraw/zinc/12/64/14/174126414.db2.gz BSPFRDAKUPSMKK-VXGBXAGGSA-N 1 0 240.347 1.014 40 0 BDABRO COCC[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000085654956 174336034 /nfs/dbraw/zinc/33/60/34/174336034.db2.gz TXCIAPKOLYTVMI-UHFFFAOYSA-N 1 0 237.225 1.175 40 0 BDABRO COc1cc(C[C@H](C)[NH3+])cc(OC)c1OC ZINC000001668943 174987787 /nfs/dbraw/zinc/98/77/87/174987787.db2.gz WGTASENVNYJZBK-QMMMGPOBSA-N 1 0 225.288 1.602 40 0 in-man BDABRO COc1cc(OC)c(OC)cc1C[C@H](C)[NH3+] ZINC000002015685 175006936 /nfs/dbraw/zinc/00/69/36/175006936.db2.gz TVSIMAWGATVNGK-QMMMGPOBSA-N 1 0 225.288 1.602 40 0 in-vitro BDABRO COc1cc(OC)c([C@@H]2C[C@H]2C[NH3+])c(OC)c1 ZINC000054587021 175007750 /nfs/dbraw/zinc/00/77/50/175007750.db2.gz XUNXISWRMRSWND-WCBMZHEXSA-N 1 0 237.299 1.775 40 0 BDABRO COc1ccc(-[n+]2ccccc2)cc1OC ZINC000006647130 175029143 /nfs/dbraw/zinc/02/91/43/175029143.db2.gz SRPSFHZUFQGIPJ-UHFFFAOYSA-N 1 0 216.260 1.981 40 0 BDABRO COc1ccc(C(=O)OCC[NH+](C)C)cc1 ZINC000000322404 175064932 /nfs/dbraw/zinc/06/49/32/175064932.db2.gz ZOOXXZHDUKMQAF-UHFFFAOYSA-N 1 0 223.272 1.414 40 0 BDABRO COc1ccc(CCC2=[NH+]CCN2)cc1OC ZINC000001692955 175088578 /nfs/dbraw/zinc/08/85/78/175088578.db2.gz NZHUMGNBTATHKK-UHFFFAOYSA-N 1 0 234.299 1.638 40 0 BDABRO COc1ccc(F)c([C@H]2NC(=O)CC[C@@H]2[NH3+])c1 ZINC000019551251 175126315 /nfs/dbraw/zinc/12/63/15/175126315.db2.gz GNRWIYIZHULJGO-CMPLNLGQSA-N 1 0 238.262 1.113 40 0 BDABRO COc1ccc(NC[C@H]2C[C@H]2CO)cc1 ZINC000096509352 175151396 /nfs/dbraw/zinc/15/13/96/175151396.db2.gz YLWJAEIPDTYFCG-ZJUUUORDSA-N 1 0 207.273 1.736 40 0 BDABRO COc1ccc([C@H]2C[C@H]2C[NH3+])c(OC)c1 ZINC000041215846 175198080 /nfs/dbraw/zinc/19/80/80/175198080.db2.gz RPNVHDCLEYPKNI-KWQFWETISA-N 1 0 207.273 1.766 40 0 BDABRO COc1ccc2c(c1)OCC21CC[NH2+]CC1 ZINC000098213589 175212905 /nfs/dbraw/zinc/21/29/05/175212905.db2.gz JIKLWUCNKHICNV-UHFFFAOYSA-N 1 0 219.284 1.709 40 0 BDABRO COc1cccc(-c2c(N)n[nH]c2C[NH+](C)C)c1 ZINC000026511489 175233312 /nfs/dbraw/zinc/23/33/12/175233312.db2.gz BDUFPAKWIDOXCV-UHFFFAOYSA-N 1 0 246.314 1.729 40 0 BDABRO COc1cccc(NC[C@@H]2C[C@H]2C[NH3+])c1 ZINC000096509427 175279295 /nfs/dbraw/zinc/27/92/95/175279295.db2.gz AHWYKSMUPXDZLA-UWVGGRQHSA-N 1 0 206.289 1.702 40 0 BDABRO COc1cccc(O[C@H]2CCC[NH2+]C2)n1 ZINC000082458616 175284782 /nfs/dbraw/zinc/28/47/82/175284782.db2.gz OZSIELSDFTXLPR-VIFPVBQESA-N 1 0 208.261 1.221 40 0 BDABRO COc1ccccc1/C=C/C(=O)NCC[NH+](C)C ZINC000013673520 175314576 /nfs/dbraw/zinc/31/45/76/175314576.db2.gz BRMGKGYXMGRIMQ-CMDGGOBGSA-N 1 0 248.326 1.386 40 0 BDABRO COc1ccccc1C[N@H+](CCO)C(C)C ZINC000049826159 175325922 /nfs/dbraw/zinc/32/59/22/175325922.db2.gz HHBWBWVZOZTOOR-UHFFFAOYSA-N 1 0 223.316 1.898 40 0 BDABRO COc1ccccc1CNC(=O)C1CC[NH2+]CC1 ZINC000021951685 175328593 /nfs/dbraw/zinc/32/85/93/175328593.db2.gz WCKJFDAIYVYUPO-UHFFFAOYSA-N 1 0 248.326 1.311 40 0 BDABRO COc1ccccc1[C@@H]1C[C@H](CO)C[NH2+]1 ZINC000108351322 175349551 /nfs/dbraw/zinc/34/95/51/175349551.db2.gz CIPYJJFOPZERCR-ONGXEEELSA-N 1 0 207.273 1.338 40 0 BDABRO COc1ccccc1[C@@H]1C[C@]1(C[NH3+])CO ZINC000062713344 175350260 /nfs/dbraw/zinc/35/02/60/175350260.db2.gz AASXMIXJNPBOHJ-JQWIXIFHSA-N 1 0 207.273 1.120 40 0 BDABRO COc1ccnc(OC2CC[NH2+]CC2)c1 ZINC000095483683 175367927 /nfs/dbraw/zinc/36/79/27/175367927.db2.gz CNJMSPHNEVWNSF-UHFFFAOYSA-N 1 0 208.261 1.221 40 0 BDABRO COc1ccnc(O[C@@H]2CCC[NH2+]C2)c1 ZINC000095483694 175368009 /nfs/dbraw/zinc/36/80/09/175368009.db2.gz ZKDDPJHDPZSNEH-SNVBAGLBSA-N 1 0 208.261 1.221 40 0 BDABRO C[C@@H](c1cnccn1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000070026319 176035834 /nfs/dbraw/zinc/03/58/34/176035834.db2.gz LLZIMHNFJBPJTN-WDEREUQCSA-N 1 0 220.320 1.221 40 0 BDABRO C[C@@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290439 176066991 /nfs/dbraw/zinc/06/69/91/176066991.db2.gz SBZHKAOVUMLDKW-VXGBXAGGSA-N 1 0 224.348 1.777 40 0 BDABRO C[C@@H]1CCN(CCO)CC[N@@H+]1Cc1ccccc1 ZINC000177842946 176169805 /nfs/dbraw/zinc/16/98/05/176169805.db2.gz YTUVMHUKVKWZEJ-CQSZACIVSA-N 1 0 248.370 1.575 40 0 BDABRO C[C@@H]1CC[NH2+]C[C@H]1CNC(=O)OC(C)(C)C ZINC000084237607 176185180 /nfs/dbraw/zinc/18/51/80/176185180.db2.gz RNFPBXPQIJEINV-ZJUUUORDSA-N 1 0 228.336 1.757 40 0 BDABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccco1 ZINC000072397530 176323102 /nfs/dbraw/zinc/32/31/02/176323102.db2.gz UIUNVKLEHFHLRL-VXGBXAGGSA-N 1 0 220.316 1.948 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(F)cc1F ZINC000054370382 176326509 /nfs/dbraw/zinc/32/65/09/176326509.db2.gz OKRCYZPNVZZHNW-MRVPVSSYSA-N 1 0 240.253 1.399 40 0 BDABRO C[C@@H]1C[NH2+]CCN1CCCOc1ccccc1 ZINC000054372719 176326694 /nfs/dbraw/zinc/32/66/94/176326694.db2.gz CLLVKAHVFFVNPV-CYBMUJFWSA-N 1 0 234.343 1.749 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)cc(F)c1 ZINC000054369815 176327113 /nfs/dbraw/zinc/32/71/13/176327113.db2.gz GBCJXXGBRATULZ-MRVPVSSYSA-N 1 0 240.253 1.399 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1cccs1 ZINC000054370378 176327233 /nfs/dbraw/zinc/32/72/33/176327233.db2.gz ZXBAZKIDQGDEAA-MRVPVSSYSA-N 1 0 210.302 1.182 40 0 BDABRO C[C@H]1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C[C@@H]1C ZINC000128725255 177192979 /nfs/dbraw/zinc/19/29/79/177192979.db2.gz ANKKXYNZXLKOTE-GMXVVIOVSA-N 1 0 238.375 1.927 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)CCC1CCCC1 ZINC000054370231 177282603 /nfs/dbraw/zinc/28/26/03/177282603.db2.gz ZHXJDXUGYXFBBT-NSHDSACASA-N 1 0 224.348 1.777 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccccc1Cl ZINC000054369972 177284151 /nfs/dbraw/zinc/28/41/51/177284151.db2.gz QOHBYKMUXLHZFI-VIFPVBQESA-N 1 0 238.718 1.774 40 0 BDABRO C[C@H]1C[NH2+]CCN1Cc1cc(F)cc(F)c1 ZINC000071978869 177284255 /nfs/dbraw/zinc/28/42/55/177284255.db2.gz WPVGFUHATFANCG-VIFPVBQESA-N 1 0 226.270 1.759 40 0 BDABRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[NH2+]1 ZINC000088247634 177330045 /nfs/dbraw/zinc/33/00/45/177330045.db2.gz HBFRNKXGNAOUDC-JGVFFNPUSA-N 1 0 200.282 1.262 40 0 BDABRO C[C@H]1Cc2ccc(OCC[NH+](C)C)cc2[C@@H]1O ZINC000001668190 177389364 /nfs/dbraw/zinc/38/93/64/177389364.db2.gz CEOBYMIETDTWSK-IINYFYTJSA-N 1 0 235.327 1.853 40 0 BDABRO CNC(=O)C[C@H](c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000072208340 262722050 /nfs/dbraw/zinc/72/20/50/262722050.db2.gz HVIYGSUTDMLSMT-ZIAGYGMSSA-N 1 0 246.354 1.906 40 0 BDABRO Clc1cccc(CN[C@@H]2CC[NH2+]C2)c1 ZINC000072202933 487994805 /nfs/dbraw/zinc/99/48/05/487994805.db2.gz WNAHYHMDBDUZRE-LLVKDONJSA-N 1 0 210.708 1.792 40 0 BDABRO COc1ccc(CC[NH2+]C[C@@H](C)O)cc1 ZINC000037488800 487471711 /nfs/dbraw/zinc/47/17/11/487471711.db2.gz XRGRLOPSKDLWEE-SNVBAGLBSA-N 1 0 209.289 1.208 40 0 BDABRO CC(C)c1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2C)cc1 ZINC000225776059 519836735 /nfs/dbraw/zinc/83/67/35/519836735.db2.gz ZFJRRHWMTSTSBR-JOYOIKCWSA-N 1 0 218.300 1.872 40 0 BDABRO CCn1cc(C[NH2+]Cc2cn(CC)nc2C)cn1 ZINC000020349889 523385848 /nfs/dbraw/zinc/38/58/48/523385848.db2.gz GPTJUVDINQHFRR-UHFFFAOYSA-N 1 0 247.346 1.718 40 0 BDABRO COc1ccccc1C[C@H]1C[N@@H+]2CCC[C@H]2CN1 ZINC000039957310 524515120 /nfs/dbraw/zinc/51/51/20/524515120.db2.gz RGHOSBJYYVCBFX-KBPBESRZSA-N 1 0 246.354 1.674 40 0 BDABRO C[C@H]1[C@@H]([NH3+])C(=O)N1c1cccc2ccccc21 ZINC000225776845 525088419 /nfs/dbraw/zinc/08/84/19/525088419.db2.gz WMWHRXOHXCNIMQ-TVQRCGJNSA-N 1 0 226.279 1.902 40 0 BDABRO Fc1ccccc1C[C@@H]1C[N@@H+]2CCC[C@H]2CN1 ZINC000039957308 526411974 /nfs/dbraw/zinc/41/19/74/526411974.db2.gz XGCFKMNGBPSTPU-OLZOCXBDSA-N 1 0 234.318 1.804 40 0 BDABRO O=C1NCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000261507628 527072415 /nfs/dbraw/zinc/07/24/15/527072415.db2.gz KLBIDDAWGHRPBL-OLZOCXBDSA-N 1 0 230.311 1.255 40 0 BDABRO [NH3+]CCCn1cc(CO)c(-c2ccc(F)cc2)n1 ZINC000228969336 527184098 /nfs/dbraw/zinc/18/40/98/527184098.db2.gz KVPSTNDQDNZBMD-UHFFFAOYSA-N 1 0 249.289 1.530 40 0 BDABRO C[NH2+]C1CCc2[nH]c3ccc(C(N)=O)cc3c2C1 ZINC001560403769 991468945 /nfs/dbraw/zinc/46/89/45/991468945.db2.gz UCHYFUKZLZTLCC-UHFFFAOYSA-N 1 0 242.302 1.507 40 0 BDABRO CC([NH3+])[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1 ZINC001560410211 991473026 /nfs/dbraw/zinc/47/30/26/991473026.db2.gz MIDQRSZGFKTQTL-HAQNSBGRSA-N 1 0 246.334 1.759 40 0 BDABRO CC[NH+]1CCC(Cc2cc(NC)ncn2)CC1 ZINC000072352114 343979500 /nfs/dbraw/zinc/97/95/00/343979500.db2.gz LFZDPEUIPKBTME-UHFFFAOYSA-N 1 0 234.347 1.793 40 0 BDABRO CC(C)(C)OC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000071373378 398147971 /nfs/dbraw/zinc/14/79/71/398147971.db2.gz ZVFIWIQKOQJBCE-SECBINFHSA-N 1 0 226.320 1.653 40 0 BDABRO CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H]1[NH2+]C2 ZINC000071373458 398148076 /nfs/dbraw/zinc/14/80/76/398148076.db2.gz LKMTYLUKCLIYBU-CIUDSAMLSA-N 1 0 212.293 1.262 40 0 BDABRO Cc1cc(C[N@@H+]2CC[C@H](O)C2)ccc1F ZINC000038538894 178002641 /nfs/dbraw/zinc/00/26/41/178002641.db2.gz RZHLITVBKAITBF-NSHDSACASA-N 1 0 209.264 1.701 40 0 BDABRO CC(=O)NCc1cc([C@@H]2CCC[NH2+]2)ccn1 ZINC000257197934 187330427 /nfs/dbraw/zinc/33/04/27/187330427.db2.gz NRYXORKZFVQINR-LBPRGKRZSA-N 1 0 219.288 1.142 40 0 BDABRO Cc1ccc(-c2ccn(CC[NH3+])n2)cc1 ZINC000072206333 178327680 /nfs/dbraw/zinc/32/76/80/178327680.db2.gz APLDDNDHAFFMHO-UHFFFAOYSA-N 1 0 201.273 1.817 40 0 BDABRO Cc1cc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)no1 ZINC000063527670 398251832 /nfs/dbraw/zinc/25/18/32/398251832.db2.gz HMUPFAMIYPGAEQ-CQSZACIVSA-N 1 0 249.358 1.901 40 0 BDABRO Cc1cc(Cl)ccc1OCC(=O)NC[NH3+] ZINC000071195814 259314221 /nfs/dbraw/zinc/31/42/21/259314221.db2.gz MELVSPBTKPKZGB-UHFFFAOYSA-N 1 0 228.679 1.060 40 0 BDABRO Cc1ccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000033426493 178397547 /nfs/dbraw/zinc/39/75/47/178397547.db2.gz OPLSIJFTFWUYSH-OAHLLOKOSA-N 1 0 244.338 1.821 40 0 BDABRO CCOC(=O)C[C@H]([NH2+]C)c1ccc(OC)cc1 ZINC000072210274 259316613 /nfs/dbraw/zinc/31/66/13/259316613.db2.gz CLDUPDNCUMDTFC-LBPRGKRZSA-N 1 0 237.299 1.909 40 0 BDABRO CCOC(=O)[C@@H](N)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000072210530 259316794 /nfs/dbraw/zinc/31/67/94/259316794.db2.gz GIYCRJHTIHENPE-RYUDHWBXSA-N 1 0 242.363 1.387 40 0 BDABRO CCOC(=O)[C@@H](N)[C@@H](C(C)C)[NH+](CC)CC ZINC000072210524 259316959 /nfs/dbraw/zinc/31/69/59/259316959.db2.gz GMTBAXOOAFAWOT-WDEREUQCSA-N 1 0 230.352 1.243 40 0 BDABRO C=Cc1ccc(C[n+]2cccc(C(N)=O)c2)cc1 ZINC000001710875 342710717 /nfs/dbraw/zinc/71/07/17/342710717.db2.gz LRSOQTIQKXAKIE-UHFFFAOYSA-O 1 0 239.298 1.764 40 0 BDABRO Cn1c2ccccc2nc1OC1CC[NH2+]CC1 ZINC000043220328 342790847 /nfs/dbraw/zinc/79/08/47/342790847.db2.gz OAEQMHWHVYJVTL-UHFFFAOYSA-N 1 0 231.299 1.704 40 0 BDABRO CSc1nn(C)c[n+]1-c1ccccc1 ZINC000012433183 342852103 /nfs/dbraw/zinc/85/21/03/342852103.db2.gz CGGHNNLWEQJKLG-UHFFFAOYSA-N 1 0 206.294 1.419 40 0 BDABRO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]CC12CC2 ZINC000165261546 342893567 /nfs/dbraw/zinc/89/35/67/342893567.db2.gz HOVWKJWUCRVIBO-VIFPVBQESA-N 1 0 226.320 1.511 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccc(F)cc1 ZINC000217668404 398322696 /nfs/dbraw/zinc/32/26/96/398322696.db2.gz AAMDSQYMUNGGNR-VXGBXAGGSA-N 1 0 237.274 1.644 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1F ZINC000217668004 398322782 /nfs/dbraw/zinc/32/27/82/398322782.db2.gz VWHZWDWGOAOBKG-GHMZBOCLSA-N 1 0 237.274 1.644 40 0 BDABRO O=C1CCCc2nc([C@@H]3CCC[NH2+]C3)ncc21 ZINC000019292356 342945519 /nfs/dbraw/zinc/94/55/19/342945519.db2.gz BRPVNHKZOWXYLF-SECBINFHSA-N 1 0 231.299 1.463 40 0 BDABRO [NH3+][C@H](CO)Cc1cccc(Br)c1 ZINC000020268090 342979623 /nfs/dbraw/zinc/97/96/23/342979623.db2.gz RRMCWFHKHSBXJH-VIFPVBQESA-N 1 0 230.105 1.311 40 0 BDABRO [NH3+]CCCc1cnn(-c2ccccc2)c1 ZINC000020412727 342984628 /nfs/dbraw/zinc/98/46/28/342984628.db2.gz LEKZYHXXKNYIJY-UHFFFAOYSA-N 1 0 201.273 1.764 40 0 BDABRO CCOc1cccc(C[NH2+]CCN(C)C)c1 ZINC000022075988 343039383 /nfs/dbraw/zinc/03/93/83/343039383.db2.gz ZEGXVMLULQFTMK-UHFFFAOYSA-N 1 0 222.332 1.737 40 0 BDABRO IC12CC[NH+](CC1)CC2 ZINC000005134165 187248224 /nfs/dbraw/zinc/24/82/24/187248224.db2.gz KLPGPCRMPAELML-UHFFFAOYSA-N 1 0 237.084 1.660 40 0 BDABRO COC(=O)[C@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC000035133360 343285964 /nfs/dbraw/zinc/28/59/64/343285964.db2.gz VWQYMFAACAIQRL-LLVKDONJSA-N 1 0 221.300 1.894 40 0 BDABRO CC(=O)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC000019686838 187252900 /nfs/dbraw/zinc/25/29/00/187252900.db2.gz XFWZSAHPUPEYLA-LBPRGKRZSA-N 1 0 210.321 1.387 40 0 BDABRO COC(=O)C[C@H](C)[NH2+]Cc1ccncc1 ZINC000035748693 343303984 /nfs/dbraw/zinc/30/39/84/343303984.db2.gz IAKGAFZZFXFHFG-VIFPVBQESA-N 1 0 208.261 1.123 40 0 BDABRO Cc1ccc(C2(C[NH3+])CCOCC2)nc1 ZINC000082932860 178511749 /nfs/dbraw/zinc/51/17/49/178511749.db2.gz OKHXJZLEYZKSGM-UHFFFAOYSA-N 1 0 206.289 1.397 40 0 BDABRO CN(CC[NH3+])Cc1ccccc1Br ZINC000037268014 343307781 /nfs/dbraw/zinc/30/77/81/343307781.db2.gz HFIUVJQNBSQMSA-UHFFFAOYSA-N 1 0 243.148 1.840 40 0 BDABRO Cc1ccc(CN(C(=O)[C@H](C)[NH3+])C2CC2)cc1 ZINC000037809016 343314916 /nfs/dbraw/zinc/31/49/16/343314916.db2.gz YAABDDSCTSBUNG-NSHDSACASA-N 1 0 232.327 1.833 40 0 BDABRO COC(=O)c1ccccc1CN1CC[NH2+]C[C@H]1C ZINC000039952490 343394122 /nfs/dbraw/zinc/39/41/22/343394122.db2.gz RTTSGIMGUPFARD-LLVKDONJSA-N 1 0 248.326 1.267 40 0 BDABRO CCN(Cc1c(F)cccc1Cl)C(=O)C[NH3+] ZINC000079420230 343400339 /nfs/dbraw/zinc/40/03/39/343400339.db2.gz GHIZGBPTHWULIQ-UHFFFAOYSA-N 1 0 244.697 1.786 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cccnc1)C1CC1 ZINC000037801723 187261264 /nfs/dbraw/zinc/26/12/64/187261264.db2.gz UISYQGJVYMPEPS-ZDUSSCGKSA-N 1 0 247.342 1.556 40 0 BDABRO Nc1c(N2CCCC2)ncnc1N1CCCC1 ZINC000040724198 343408406 /nfs/dbraw/zinc/40/84/06/343408406.db2.gz BLQZQWIMPVHFAG-UHFFFAOYSA-N 1 0 233.319 1.259 40 0 BDABRO O=C1N(c2cccc(F)c2)CC[C@]12CCC[NH2+]C2 ZINC000044136474 343493165 /nfs/dbraw/zinc/49/31/65/343493165.db2.gz SDAKOXHRBZROKO-AWEZNQCLSA-N 1 0 248.301 1.932 40 0 BDABRO CSc1nccc(N[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000079439885 187263303 /nfs/dbraw/zinc/26/33/03/187263303.db2.gz YYXYPLGLBMENEP-BDAKNGLRSA-N 1 0 238.360 1.880 40 0 BDABRO CCN(CC)CC[NH2+]CCC(=O)OC(C)(C)C ZINC000047218974 343559079 /nfs/dbraw/zinc/55/90/79/343559079.db2.gz CIYZVVHACRAJJE-UHFFFAOYSA-N 1 0 244.379 1.650 40 0 BDABRO CC(C)(C)c1nnc([C@H]2CCC[NH2+]C2)o1 ZINC000083289374 187267168 /nfs/dbraw/zinc/26/71/68/187267168.db2.gz VKPXURUBRYITSM-QMMMGPOBSA-N 1 0 209.293 1.834 40 0 BDABRO COC(=O)[C@@H]1CC[NH2+][C@@H]1c1ccc(OC)cc1 ZINC000049587280 343603765 /nfs/dbraw/zinc/60/37/65/343603765.db2.gz ZIFNSVMYHQPTFI-VXGBXAGGSA-N 1 0 235.283 1.519 40 0 BDABRO CCn1nc(N)cc1C[NH+]1CCCCCC1 ZINC000257980723 259367052 /nfs/dbraw/zinc/36/70/52/259367052.db2.gz WUHXAETYHYERRA-UHFFFAOYSA-N 1 0 222.336 1.861 40 0 BDABRO C[C@]1(NC(=O)OCc2ccccc2)CC[NH2+]C1 ZINC000059912943 343714055 /nfs/dbraw/zinc/71/40/55/343714055.db2.gz RHHCLMKILIIQLR-ZDUSSCGKSA-N 1 0 234.299 1.665 40 0 BDABRO CO[C@@H]1C[NH2+][C@H](c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253536374 349854463 /nfs/dbraw/zinc/85/44/63/349854463.db2.gz OYFVHHHKDBXZHN-KWQFWETISA-N 1 0 245.282 1.385 40 0 BDABRO Cc1ccc(CN2CC[C@H]([NH3+])C2)cc1F ZINC000096523515 178581448 /nfs/dbraw/zinc/58/14/48/178581448.db2.gz JVCHQGVNHIUXDM-NSHDSACASA-N 1 0 208.280 1.667 40 0 BDABRO Cc1ccc(CN2CC[C@@H]([NH3+])C2)cc1C ZINC000038538874 343783501 /nfs/dbraw/zinc/78/35/01/343783501.db2.gz KNQLJUDPCORRRM-CYBMUJFWSA-N 1 0 204.317 1.836 40 0 BDABRO [NH3+][C@@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000096517459 343785193 /nfs/dbraw/zinc/78/51/93/343785193.db2.gz ZFULEVVFEHJNFL-LLVKDONJSA-N 1 0 229.283 1.341 40 0 BDABRO Nc1ccc(N2CC[NH+](C3CCC3)CC2)nc1 ZINC000378688419 343795358 /nfs/dbraw/zinc/79/53/58/343795358.db2.gz XMMWSKASUGBYFS-UHFFFAOYSA-N 1 0 232.331 1.338 40 0 BDABRO C[NH2+]CCCc1cnn(C[C@@H]2CCCCO2)c1 ZINC000575623224 343875801 /nfs/dbraw/zinc/87/58/01/343875801.db2.gz ADXQASMMMQDRFT-ZDUSSCGKSA-N 1 0 237.347 1.604 40 0 BDABRO CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C)C1 ZINC000019422186 347018498 /nfs/dbraw/zinc/01/84/98/347018498.db2.gz KDRVLCAYVALHSW-WDEREUQCSA-N 1 0 212.337 1.618 40 0 BDABRO CC(C)[C@H]([NH3+])c1nc([C@H]2CCCO2)n[nH]1 ZINC000095534780 187287434 /nfs/dbraw/zinc/28/74/34/187287434.db2.gz FBOLPPDWEIHMRR-SFYZADRCSA-N 1 0 210.281 1.312 40 0 BDABRO C(OC[C@@]12CCCO[C@@H]1CC[NH2+]C2)C1CC1 ZINC000096039923 187288733 /nfs/dbraw/zinc/28/87/33/187288733.db2.gz DTKGAAOGOXOWRT-OLZOCXBDSA-N 1 0 225.332 1.572 40 0 BDABRO CC(C)N(C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096157307 187288856 /nfs/dbraw/zinc/28/88/56/187288856.db2.gz VKNABONQPBTSBG-LLVKDONJSA-N 1 0 240.347 1.154 40 0 BDABRO C1C[C@]2(CC[N@@H+](C3CCOCC3)C2)CO1 ZINC000096051058 187289141 /nfs/dbraw/zinc/28/91/41/187289141.db2.gz WMUSSPCVQOEZOQ-LBPRGKRZSA-N 1 0 211.305 1.278 40 0 BDABRO O=C1C[C@]2(CCC[NH2+]C2)C(=O)N1C1CCCC1 ZINC000096268833 187289027 /nfs/dbraw/zinc/28/90/27/187289027.db2.gz GMNWJBXBZFNRJZ-ZDUSSCGKSA-N 1 0 236.315 1.058 40 0 BDABRO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)OC(C)(C)C ZINC000084237627 344367942 /nfs/dbraw/zinc/36/79/42/344367942.db2.gz XNAMFDCOLGVSON-NXEZZACHSA-N 1 0 228.336 1.981 40 0 BDABRO [NH3+]C[C@H](CO)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000072210331 344512034 /nfs/dbraw/zinc/51/20/34/344512034.db2.gz KGTXLTAWHMNUME-HUUCEWRRSA-N 1 0 248.370 1.781 40 0 BDABRO COC(=O)C[C@H]([NH3+])c1c[nH]c2ccccc21 ZINC000044909627 344550298 /nfs/dbraw/zinc/55/02/98/344550298.db2.gz QEIRGWNVWZHYEX-JTQLQIEISA-N 1 0 218.256 1.731 40 0 BDABRO C[C@H]([NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000048045962 344582470 /nfs/dbraw/zinc/58/24/70/344582470.db2.gz WTRLYNKEEJOIGJ-DTWKUNHWSA-N 1 0 214.309 1.733 40 0 BDABRO Cc1ccc(CCC(=O)NCCC[NH+](C)C)cc1 ZINC000010357324 347079545 /nfs/dbraw/zinc/07/95/45/347079545.db2.gz CROUEPHCXPQMJU-UHFFFAOYSA-N 1 0 248.370 1.996 40 0 BDABRO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC000096223705 178779053 /nfs/dbraw/zinc/77/90/53/178779053.db2.gz RQDDJTWDUQIPHR-YPMHNXCESA-N 1 0 248.330 1.108 40 0 BDABRO Cc1cccc(NC2=NC(C)(C)NC(=[NH2+])N2)c1 ZINC000000269202 345812634 /nfs/dbraw/zinc/81/26/34/345812634.db2.gz FTOZHDVIBQNOEF-UHFFFAOYSA-N 1 0 231.303 1.417 40 0 BDABRO Cc1cccc(C[NH2+]CCO)c1OC(C)C ZINC000095094847 179092029 /nfs/dbraw/zinc/09/20/29/179092029.db2.gz JYBBUVAJVGHPTP-UHFFFAOYSA-N 1 0 223.316 1.864 40 0 BDABRO Cc1cccc(N2CC[C@@H](OCC[NH3+])C2)c1 ZINC000096528317 179122558 /nfs/dbraw/zinc/12/25/58/179122558.db2.gz QKKBEBFYQGOTMF-CYBMUJFWSA-N 1 0 220.316 1.549 40 0 BDABRO COC(C[NH2+]Cc1ccc2[nH]ccc2c1)OC ZINC000015424154 347113214 /nfs/dbraw/zinc/11/32/14/347113214.db2.gz DQZHMYBARUFFDY-UHFFFAOYSA-N 1 0 234.299 1.876 40 0 BDABRO Cc1ccccc1C(=O)NCC1CC[NH2+]CC1 ZINC000019275637 179249269 /nfs/dbraw/zinc/24/92/69/179249269.db2.gz KXNUYUZTFBVSGI-UHFFFAOYSA-N 1 0 232.327 1.724 40 0 BDABRO CCCc1cc(CN2CC[NH2+]CC2)on1 ZINC000022763278 347604533 /nfs/dbraw/zinc/60/45/33/347604533.db2.gz VJHDVHKTBYPOLS-UHFFFAOYSA-N 1 0 209.293 1.032 40 0 BDABRO Cn1nccc1-c1cnc([C@H]2CCC[NH2+]2)cn1 ZINC000205681550 348574039 /nfs/dbraw/zinc/57/40/39/348574039.db2.gz MVRYDLOOMHPBTC-SECBINFHSA-N 1 0 229.287 1.302 40 0 BDABRO Cc1cc(-c2cncc(C3CC[NH2+]CC3)n2)n[nH]1 ZINC000205681627 348574048 /nfs/dbraw/zinc/57/40/48/348574048.db2.gz YLYIHAFMEZUGHZ-UHFFFAOYSA-N 1 0 243.314 1.642 40 0 BDABRO Cc1nc(N)cc([C@]2(C)CCC[NH2+]C2)n1 ZINC000205684573 348575417 /nfs/dbraw/zinc/57/54/17/348575417.db2.gz ZWOUAAHVUGKCFS-LLVKDONJSA-N 1 0 206.293 1.008 40 0 BDABRO Cn1cc(-c2nccnc2[C@@H]2CCC[NH2+]C2)cn1 ZINC000205690502 348575752 /nfs/dbraw/zinc/57/57/52/348575752.db2.gz DGKGYXVUZRSMMZ-SNVBAGLBSA-N 1 0 243.314 1.344 40 0 BDABRO CCCNc1ncc(C[NH2+]CCC)cn1 ZINC000062717689 259407263 /nfs/dbraw/zinc/40/72/63/259407263.db2.gz PRVBSEACZLBOMR-UHFFFAOYSA-N 1 0 208.309 1.798 40 0 BDABRO CCN1CCC[C@H]1C[NH2+]Cc1cnc(NC)nc1 ZINC000062718409 259408097 /nfs/dbraw/zinc/40/80/97/259408097.db2.gz WMOSZVFCECTHLB-LBPRGKRZSA-N 1 0 249.362 1.092 40 0 BDABRO O=C1CCC[C@H]2[NH2+]C[C@H](c3cccc(F)c3)[C@H]2N1 ZINC000212420219 349330302 /nfs/dbraw/zinc/33/03/02/349330302.db2.gz RKJMJKFYRCNIRL-YRGRVCCFSA-N 1 0 248.301 1.550 40 0 BDABRO Cc1nc([C@H]2CCC[N@@H+]2CC2CC2)cc(=O)[nH]1 ZINC000072361362 180056804 /nfs/dbraw/zinc/05/68/04/180056804.db2.gz YUKYOVWJQMEFAS-GFCCVEGCSA-N 1 0 233.315 1.625 40 0 BDABRO c1cc2c(C[C@H]3C[NH2+]CCOC3)cccn2n1 ZINC000221923855 350225725 /nfs/dbraw/zinc/22/57/25/350225725.db2.gz JXWOSLJBLTYPBH-NSHDSACASA-N 1 0 231.299 1.113 40 0 BDABRO Cc1ncnc2c1CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096254992 180290910 /nfs/dbraw/zinc/29/09/10/180290910.db2.gz BGXPTQSTVCJZQI-GFCCVEGCSA-N 1 0 247.342 1.222 40 0 BDABRO Cc1nn(C)cc1CN(C)C[C@@H]1CCCC[NH2+]1 ZINC000096524001 180372756 /nfs/dbraw/zinc/37/27/56/180372756.db2.gz AVLPGGHLBRXMBI-ZDUSSCGKSA-N 1 0 236.363 1.302 40 0 BDABRO CCOc1ccc([C@H](CO)[NH+](C)C)cc1 ZINC000041218585 350580606 /nfs/dbraw/zinc/58/06/06/350580606.db2.gz AIOZQCYLHSJDGP-LBPRGKRZSA-N 1 0 209.289 1.680 40 0 BDABRO Clc1ccc(NCC2CC[NH2+]CC2)nn1 ZINC000040434773 180582740 /nfs/dbraw/zinc/58/27/40/180582740.db2.gz OKCQIHIVQBQDTQ-UHFFFAOYSA-N 1 0 226.711 1.542 40 0 BDABRO CC(C)(C)OC(=O)[C@H](N)[C@@]1(C)CCC[NH2+]C1 ZINC000602985553 351866103 /nfs/dbraw/zinc/86/61/03/351866103.db2.gz LEAYJOBYTRDDGM-CABZTGNLSA-N 1 0 228.336 1.045 40 0 BDABRO C[C@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000037245799 363148411 /nfs/dbraw/zinc/14/84/11/363148411.db2.gz YOAIYGQJRGDYKW-SECBINFHSA-N 1 0 207.273 1.910 40 0 BDABRO COC(CNC(=[NH2+])c1ccccc1)OC ZINC000034061740 363146006 /nfs/dbraw/zinc/14/60/06/363146006.db2.gz PAPDXEKAQXYXCO-UHFFFAOYSA-N 1 0 208.261 1.220 40 0 BDABRO C1CC(c2nnc([C@H]3CCC[NH2+]C3)o2)C1 ZINC000083345145 187948721 /nfs/dbraw/zinc/94/87/21/187948721.db2.gz YNSZMOOALAMFBJ-VIFPVBQESA-N 1 0 207.277 1.804 40 0 BDABRO Cc1c(CN2CCC[C@@H]2c2cc[nH]n2)cnn1C ZINC000257221828 188020748 /nfs/dbraw/zinc/02/07/48/188020748.db2.gz DQROFHAHKJIRAF-CYBMUJFWSA-N 1 0 245.330 1.789 40 0 BDABRO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC000257333018 188020956 /nfs/dbraw/zinc/02/09/56/188020956.db2.gz XZRMAXNAVHQBFG-NSHDSACASA-N 1 0 245.330 1.441 40 0 BDABRO Fc1ccc(CCN2CC[NH2+]CC2)c(F)c1 ZINC000071532838 180964296 /nfs/dbraw/zinc/96/42/96/180964296.db2.gz ALKPXBLADACOTC-UHFFFAOYSA-N 1 0 226.270 1.413 40 0 BDABRO NC(=[NH2+])NCCCSC(=O)C1CCCCC1 ZINC000001579129 181189199 /nfs/dbraw/zinc/18/91/99/181189199.db2.gz MNZJQQYDNHAHEB-UHFFFAOYSA-N 1 0 243.376 1.700 40 0 BDABRO Cc1ccc(OC[C@]2(O)CCC[NH2+]C2)cc1 ZINC000383837361 355385441 /nfs/dbraw/zinc/38/54/41/355385441.db2.gz XICRNSZHQSUKBQ-ZDUSSCGKSA-N 1 0 221.300 1.488 40 0 BDABRO CCOC(=O)[C@@H](N)[C@@](C)(CC)[NH+]1CCCC1 ZINC000072210576 259523679 /nfs/dbraw/zinc/52/36/79/259523679.db2.gz BJAFAAUYHPMRIT-ZYHUDNBSSA-N 1 0 228.336 1.141 40 0 BDABRO CCN(C)c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072212699 259526323 /nfs/dbraw/zinc/52/63/23/259526323.db2.gz RQABJWFXUTXKCG-LLVKDONJSA-N 1 0 205.305 1.962 40 0 BDABRO [NH3+]C1CCN(Cc2ccnc(Cl)c2)CC1 ZINC000052709500 181344549 /nfs/dbraw/zinc/34/45/49/181344549.db2.gz SDVCVMKQMDWZSR-UHFFFAOYSA-N 1 0 225.723 1.658 40 0 BDABRO [NH3+]CCCO[C@H]1CCN(c2ccccc2)C1 ZINC000096528367 181384687 /nfs/dbraw/zinc/38/46/87/181384687.db2.gz HBAVEYNVXBIQDP-ZDUSSCGKSA-N 1 0 220.316 1.631 40 0 BDABRO Cn1nc(C2CC[NH+](C)CC2)c2nccnc21 ZINC000019289435 368319009 /nfs/dbraw/zinc/31/90/09/368319009.db2.gz GKWKISJNSHWYOL-UHFFFAOYSA-N 1 0 231.303 1.173 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H]2[NH3+] ZINC000101328807 368339468 /nfs/dbraw/zinc/33/94/68/368339468.db2.gz KBFKGKCNVPZMHL-CIUDSAMLSA-N 1 0 212.293 1.343 40 0 BDABRO OCCC[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000142470012 368346109 /nfs/dbraw/zinc/34/61/09/368346109.db2.gz GXZCYZWVLVGPIV-AWEZNQCLSA-N 1 0 234.343 1.233 40 0 BDABRO O=C1O[C@]2(CC[NH2+]C2)CN1c1ccc(F)cc1 ZINC000205674515 368356949 /nfs/dbraw/zinc/35/69/49/368356949.db2.gz DGVCDRKOJCPGAE-LBPRGKRZSA-N 1 0 236.246 1.514 40 0 BDABRO Cn1ccnc1-c1cc(C[C@@H]2CC[NH2+]C2)ncn1 ZINC000205687124 368358702 /nfs/dbraw/zinc/35/87/02/368358702.db2.gz MNVWNJSAOTWNAL-JTQLQIEISA-N 1 0 243.314 1.029 40 0 BDABRO c1ccc(C[C@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000205697041 368358707 /nfs/dbraw/zinc/35/87/07/368358707.db2.gz ALYXAMZFDNMFSK-ZDUSSCGKSA-N 1 0 232.327 1.783 40 0 BDABRO Cn1ccnc1-c1cncc(C2CC[NH2+]CC2)n1 ZINC000205686942 368358773 /nfs/dbraw/zinc/35/87/73/368358773.db2.gz HPMMHXBDNSEAFH-UHFFFAOYSA-N 1 0 243.314 1.344 40 0 BDABRO c1ncc([C@H]2CCC[NH2+]2)nc1NC1CCOCC1 ZINC000205698095 368359753 /nfs/dbraw/zinc/35/97/53/368359753.db2.gz UYPQJPLFUSJWKY-LLVKDONJSA-N 1 0 248.330 1.492 40 0 BDABRO [NH3+]Cc1ccc2c(c1)nnn2CC1CC1 ZINC000328579639 181486675 /nfs/dbraw/zinc/48/66/75/181486675.db2.gz TZAHFPTUEMPNMU-UHFFFAOYSA-N 1 0 202.261 1.300 40 0 BDABRO CCN(Cc1cccc(Cl)c1)C(=O)C[NH3+] ZINC000037808702 169909801 /nfs/dbraw/zinc/90/98/01/169909801.db2.gz WFXBGTVQVBIXGR-UHFFFAOYSA-N 1 0 226.707 1.647 40 0 BDABRO CCCC[C@H](CC)COC[C@@H](O)C[NH3+] ZINC000020513500 371287950 /nfs/dbraw/zinc/28/79/50/371287950.db2.gz ZTFVNXZDADBUST-QWRGUYRKSA-N 1 0 203.326 1.539 40 0 BDABRO [NH3+][C@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000050227821 181651664 /nfs/dbraw/zinc/65/16/64/181651664.db2.gz WGGZDWMOHFVBHY-QMMMGPOBSA-N 1 0 212.243 1.498 40 0 BDABRO Cc1ncccc1[C@H](C)O[C@@H]1CC[NH2+]C1 ZINC000252500995 259548238 /nfs/dbraw/zinc/54/82/38/259548238.db2.gz UBBMGHNCAVFMTI-WDEREUQCSA-N 1 0 206.289 1.830 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC000040434250 373261927 /nfs/dbraw/zinc/26/19/27/373261927.db2.gz DMJORKWIAMUALS-SSDOTTSWSA-N 1 0 231.752 1.720 40 0 BDABRO O=C(NC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000004298815 182116174 /nfs/dbraw/zinc/11/61/74/182116174.db2.gz RVMCMOSLYRAZKO-UHFFFAOYSA-N 1 0 238.718 1.822 40 0 BDABRO O=C(NCCC[NH+]1CCCC1)C1CCCC1 ZINC000061547408 182167146 /nfs/dbraw/zinc/16/71/46/182167146.db2.gz WNXUBDCSASFRFL-UHFFFAOYSA-N 1 0 224.348 1.779 40 0 BDABRO O=C1CCC[C@@H]2[C@@H]3C[C@H](CN12)[C@H]1CCCC[N@@H+]1C3 ZINC000040934552 373936002 /nfs/dbraw/zinc/93/60/02/373936002.db2.gz JYIJIIVLEOETIQ-AAVRWANBSA-N 1 0 248.370 1.872 40 0 biogenic BDABRO O=C(NCc1ccccc1)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096054071 182256308 /nfs/dbraw/zinc/25/63/08/182256308.db2.gz DYADBUPWIRNZJG-OLZOCXBDSA-N 1 0 245.326 1.190 40 0 BDABRO O=C(Oc1ccccc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321778 182610529 /nfs/dbraw/zinc/61/05/29/182610529.db2.gz RDPGOLKUJJFFLH-QWRGUYRKSA-N 1 0 232.283 1.337 40 0 BDABRO O=c1ccc2c([nH]1)CC[C@H]([NH2+]C1CCOCC1)C2 ZINC000096100539 183000916 /nfs/dbraw/zinc/00/09/16/183000916.db2.gz LYPFSJODUAHWQV-LBPRGKRZSA-N 1 0 248.326 1.001 40 0 BDABRO OC1(Cn2ccc3ncccc32)CC[NH2+]CC1 ZINC000019346462 183021327 /nfs/dbraw/zinc/02/13/27/183021327.db2.gz KKKXQKFDDPNXDL-UHFFFAOYSA-N 1 0 231.299 1.151 40 0 BDABRO OC[C@H](c1ccccc1)N1CCOCC1 ZINC000049069859 183145721 /nfs/dbraw/zinc/14/57/21/183145721.db2.gz DWRQJSYKHGJWPN-GFCCVEGCSA-N 1 0 207.273 1.052 40 0 BDABRO O[C@H]1CC[N@H+]([C@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200370 183239916 /nfs/dbraw/zinc/23/99/16/183239916.db2.gz YGNNPJYPCIQFKX-KKUMJFAQSA-N 1 0 247.338 1.453 40 0 BDABRO c1cc(-c2cncnc2)nc([C@@H]2C[NH2+]CCO2)c1 ZINC000019695386 183329602 /nfs/dbraw/zinc/32/96/02/183329602.db2.gz URAVHAUJPAILCS-ZDUSSCGKSA-N 1 0 242.282 1.200 40 0 BDABRO CCC[NH+]1CCN(C[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000020073787 169202699 /nfs/dbraw/zinc/20/26/99/169202699.db2.gz RBCWTVMIYMMQII-STQMWFEESA-N 1 0 227.396 1.387 40 0 BDABRO CCC[NH+]1CCN(C[C@H]([NH3+])c2ccccc2)CC1 ZINC000019257297 169202885 /nfs/dbraw/zinc/20/28/85/169202885.db2.gz OASXFGBPKVGFJK-HNNXBMFYSA-N 1 0 247.386 1.714 40 0 BDABRO c1cc([C@H]2CC[N@@H+](Cc3ccncc3)C2)n[nH]1 ZINC000072187723 183347334 /nfs/dbraw/zinc/34/73/34/183347334.db2.gz AYDGUHQZRVTPBJ-LBPRGKRZSA-N 1 0 228.299 1.794 40 0 BDABRO c1cc(CN2C[C@@H]3CC[NH2+][C@@H]3C2)cs1 ZINC000096054051 183347497 /nfs/dbraw/zinc/34/74/97/183347497.db2.gz XGXBJOWNYZDHSG-WDEREUQCSA-N 1 0 208.330 1.542 40 0 BDABRO c1cc2c(cc1C[NH2+]C1CC1)OCCO2 ZINC000020082961 183367911 /nfs/dbraw/zinc/36/79/11/183367911.db2.gz ZCAOICHEXNHVTD-UHFFFAOYSA-N 1 0 205.257 1.710 40 0 BDABRO c1cc(C[C@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000001744291 183369348 /nfs/dbraw/zinc/36/93/48/183369348.db2.gz SJLJMWBKBITYLC-SNVBAGLBSA-N 1 0 205.257 1.567 40 0 BDABRO CCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000060938376 169236745 /nfs/dbraw/zinc/23/67/45/169236745.db2.gz CPDMOTOLGCJSQC-GFCCVEGCSA-N 1 0 241.379 1.818 40 0 BDABRO c1ccc(-c2noc([C@H]3CC[NH2+]C3)n2)cc1 ZINC000062119559 183385420 /nfs/dbraw/zinc/38/54/20/183385420.db2.gz UIPZDAZQRBNIGB-JTQLQIEISA-N 1 0 215.256 1.814 40 0 BDABRO c1nc(C2CC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000096524349 183387737 /nfs/dbraw/zinc/38/77/37/183387737.db2.gz HWAANQWQEVVLRK-UHFFFAOYSA-N 1 0 228.299 1.734 40 0 BDABRO c1nc([C@H]2CCC[NH2+]2)n(-c2ccccn2)n1 ZINC000096524329 183388219 /nfs/dbraw/zinc/38/82/19/183388219.db2.gz GARHAOKQBBJAGY-SECBINFHSA-N 1 0 215.260 1.087 40 0 BDABRO c1cc2ncnc(N3CCC[NH2+]CC3)c2s1 ZINC000015021060 183531712 /nfs/dbraw/zinc/53/17/12/183531712.db2.gz FGIPAMUERRLAHR-UHFFFAOYSA-N 1 0 234.328 1.491 40 0 BDABRO O=C1Nc2ccccc2[C@]12C[NH2+]CS2 ZINC000001723909 383931134 /nfs/dbraw/zinc/93/11/34/383931134.db2.gz MREHXSZBHQKWKH-SNVBAGLBSA-N 1 0 206.270 1.128 40 0 BDABRO C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCOC1=O ZINC000001742506 383932746 /nfs/dbraw/zinc/93/27/46/383932746.db2.gz YFNUTVUFJSHKBJ-AAEUAGOBSA-N 1 0 233.311 1.770 40 0 BDABRO O=C(c1ccc(F)cc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036236722 383888929 /nfs/dbraw/zinc/88/89/29/383888929.db2.gz VLJHLGMWQHEVNE-CMPLNLGQSA-N 1 0 234.274 1.260 40 0 BDABRO O=C(c1cccc(F)c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036236619 383889793 /nfs/dbraw/zinc/88/97/93/383889793.db2.gz KJKZPMNYAVKWSB-CMPLNLGQSA-N 1 0 234.274 1.260 40 0 BDABRO c1ccc2c(c1)C[C@H](C[NH2+]C1CC1)CO2 ZINC000037405179 383974156 /nfs/dbraw/zinc/97/41/56/383974156.db2.gz UQVCQPQOFGSEMT-SNVBAGLBSA-N 1 0 203.285 1.990 40 0 BDABRO CC(C)(C)OC(=O)N1CC([C@H]2CC[NH2+]C2)C1 ZINC000091304853 384117368 /nfs/dbraw/zinc/11/73/68/384117368.db2.gz BRSVASFRYDNVEP-VIFPVBQESA-N 1 0 226.320 1.463 40 0 BDABRO CC(=O)N(C(C)C)[C@H]1CCCC[C@H]1[NH2+]CCO ZINC000079416549 384139538 /nfs/dbraw/zinc/13/95/38/384139538.db2.gz UECAOWQKLNMXRT-OLZOCXBDSA-N 1 0 242.363 1.136 40 0 BDABRO O=c1c2ccccc2cnn1C[C@@H]1CCC[NH2+]C1 ZINC000043472102 384189837 /nfs/dbraw/zinc/18/98/37/384189837.db2.gz AEJYFOQCAALOLE-LLVKDONJSA-N 1 0 243.310 1.396 40 0 BDABRO [NH3+]C[C@@H]1CCCCN1Cc1cncs1 ZINC000072203314 384199446 /nfs/dbraw/zinc/19/94/46/384199446.db2.gz VMNTYFGUTACXJA-VIFPVBQESA-N 1 0 211.334 1.456 40 0 BDABRO Cn1cnnc1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072359871 384212669 /nfs/dbraw/zinc/21/26/69/384212669.db2.gz ANIZRBZEHSQYAW-ZDUSSCGKSA-N 1 0 242.326 1.805 40 0 BDABRO Cc1cc(C)nc(C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072381302 384216472 /nfs/dbraw/zinc/21/64/72/384216472.db2.gz CBMGIPQTPRHSQA-LBPRGKRZSA-N 1 0 219.332 1.978 40 0 BDABRO CC(C)[N@@H+]1CC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000072381393 384216941 /nfs/dbraw/zinc/21/69/41/384216941.db2.gz ITCWULGIHDESGC-SECBINFHSA-N 1 0 231.303 1.551 40 0 BDABRO Cc1cc(C)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072381296 384217825 /nfs/dbraw/zinc/21/78/25/384217825.db2.gz VNUFGHQCKGEVKW-LLVKDONJSA-N 1 0 205.305 1.903 40 0 BDABRO CNc1cccc([C@H]2CCC[N@@H+]2CCO)n1 ZINC000072381342 384217877 /nfs/dbraw/zinc/21/78/77/384217877.db2.gz RRTIGWSJIGOGMS-LLVKDONJSA-N 1 0 221.304 1.253 40 0 BDABRO O=C1CCCN1c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072386715 384220127 /nfs/dbraw/zinc/22/01/27/384220127.db2.gz AWNAJAYIUQDCQQ-NSHDSACASA-N 1 0 245.326 1.675 40 0 BDABRO [NH3+]CCn1c(=O)oc2cc(Cl)ccc21 ZINC000072397453 384220350 /nfs/dbraw/zinc/22/03/50/384220350.db2.gz RDGMRHFSJSYXRF-UHFFFAOYSA-N 1 0 212.636 1.207 40 0 BDABRO [NH3+]Cc1cn(CCc2ccccc2)cn1 ZINC000082531491 384222266 /nfs/dbraw/zinc/22/22/66/384222266.db2.gz UPRHMNIYOODUQG-UHFFFAOYSA-N 1 0 201.273 1.585 40 0 BDABRO C[NH+](C)CCNC(=O)Cc1cccc(Cl)c1 ZINC000074921836 384311381 /nfs/dbraw/zinc/31/13/81/384311381.db2.gz CZUIRSSNHWSKKX-UHFFFAOYSA-N 1 0 240.734 1.560 40 0 BDABRO [NH3+]CCc1c2c(cc3c1OCC3)OCC2 ZINC000013757086 384372497 /nfs/dbraw/zinc/37/24/97/384372497.db2.gz TUZLDMANNCPSHX-UHFFFAOYSA-N 1 0 205.257 1.058 40 0 BDABRO O=C1NCCC12CC[NH+](Cc1ccco1)CC2 ZINC000096046686 384426390 /nfs/dbraw/zinc/42/63/90/384426390.db2.gz MOTTXYLJIMKUKK-UHFFFAOYSA-N 1 0 234.299 1.382 40 0 BDABRO CC(C)(C)OC(=O)NCc1cc(N)cc[nH+]1 ZINC000095642096 384385974 /nfs/dbraw/zinc/38/59/74/384385974.db2.gz VGVMVUMICQYSJZ-UHFFFAOYSA-N 1 0 223.276 1.689 40 0 BDABRO c1cnc(N2CC[C@@]3(CC[N@H+]3CC3CC3)C2)nc1 ZINC000096228663 384446138 /nfs/dbraw/zinc/44/61/38/384446138.db2.gz KGOIUMKRRVLMFK-CQSZACIVSA-N 1 0 244.342 1.541 40 0 BDABRO O=C1[C@H]2C[NH2+]C[C@H]2CN1Cc1cccc(F)c1 ZINC000096245386 384447364 /nfs/dbraw/zinc/44/73/64/384447364.db2.gz YCURCMPDXAEFOD-JQWIXIFHSA-N 1 0 234.274 1.004 40 0 BDABRO O=C(c1ccno1)N1CCC2(CCC[NH2+]2)CC1 ZINC000096049363 384429856 /nfs/dbraw/zinc/42/98/56/384429856.db2.gz VVZHATIRWBXXCQ-UHFFFAOYSA-N 1 0 235.287 1.033 40 0 BDABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccoc3)CC2)N1 ZINC000096047439 384429999 /nfs/dbraw/zinc/42/99/99/384429999.db2.gz IDUFQBPOIYDJKI-AWEZNQCLSA-N 1 0 248.326 1.914 40 0 BDABRO c1ncc([C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000096073487 384431012 /nfs/dbraw/zinc/43/10/12/384431012.db2.gz RSQCPJYHNUVXBA-CMPLNLGQSA-N 1 0 219.288 1.103 40 0 BDABRO c1cncc(CN2CCO[C@@]3(CCC[NH2+]C3)C2)c1 ZINC000096100164 384434395 /nfs/dbraw/zinc/43/43/95/384434395.db2.gz XRTVBCYHWFGELG-CQSZACIVSA-N 1 0 247.342 1.036 40 0 BDABRO [NH3+][C@H](CO)Cc1ccccc1Br ZINC000044463644 384437409 /nfs/dbraw/zinc/43/74/09/384437409.db2.gz QDTJZOHATDYRIN-QMMMGPOBSA-N 1 0 230.105 1.311 40 0 BDABRO Cc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]32)cc1 ZINC000096186177 384439535 /nfs/dbraw/zinc/43/95/35/384439535.db2.gz IYIGROVGJHDVES-KBPBESRZSA-N 1 0 244.338 1.848 40 0 BDABRO c1cncc(N[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC000096220081 384441869 /nfs/dbraw/zinc/44/18/69/384441869.db2.gz YVVURQKLCZVCMP-VXGBXAGGSA-N 1 0 219.288 1.015 40 0 BDABRO c1cc2ccnc(N3CC[NH2+]CC3)c2o1 ZINC000096517478 384464925 /nfs/dbraw/zinc/46/49/25/384464925.db2.gz DEWCAFZBKRBLSF-UHFFFAOYSA-N 1 0 203.245 1.237 40 0 BDABRO CCOC[C@@H]1C[NH2+]Cc2cnn(CC3CC3)c21 ZINC000306133987 384668167 /nfs/dbraw/zinc/66/81/67/384668167.db2.gz NBARMUVXRGVIQG-LBPRGKRZSA-N 1 0 235.331 1.516 40 0 BDABRO Cc1c[nH+]c(NCc2cccnc2)c(N)c1 ZINC000082533972 384690764 /nfs/dbraw/zinc/69/07/64/384690764.db2.gz KZUCMYAXYOBNBT-UHFFFAOYSA-N 1 0 214.272 1.979 40 0 BDABRO [NH3+]Cc1csc(-c2ccc(O)cc2)n1 ZINC000083344688 384762215 /nfs/dbraw/zinc/76/22/15/384762215.db2.gz QVQSIXWDPQPVAO-UHFFFAOYSA-N 1 0 206.270 1.974 40 0 BDABRO Fc1ccc(-c2ncc3n2CC[NH2+]C3)c(F)c1 ZINC000026894596 384885924 /nfs/dbraw/zinc/88/59/24/384885924.db2.gz HQXHFASRFRBDEK-UHFFFAOYSA-N 1 0 235.237 1.932 40 0 BDABRO CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]([NH3+])C1 ZINC000084237581 384851720 /nfs/dbraw/zinc/85/17/20/384851720.db2.gz FPIXELZFBGBCAO-SECBINFHSA-N 1 0 228.336 1.981 40 0 BDABRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC000057219117 384936703 /nfs/dbraw/zinc/93/67/03/384936703.db2.gz ZBCUZTCLSWQWPS-HRDYMLBCSA-N 1 0 212.293 1.119 40 0 BDABRO CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2Cc1ccoc1 ZINC000107799884 385003096 /nfs/dbraw/zinc/00/30/96/385003096.db2.gz IEYZUUNCLCAFFI-QWRGUYRKSA-N 1 0 220.272 1.085 40 0 BDABRO COc1c(C)cccc1C[NH2+]CCN(C)C ZINC000095094944 384963758 /nfs/dbraw/zinc/96/37/58/384963758.db2.gz CGGNAZPEWJZJBR-UHFFFAOYSA-N 1 0 222.332 1.655 40 0 BDABRO O=C1CCC2(CC[NH+](Cc3ccco3)CC2)CN1 ZINC000108528271 385051211 /nfs/dbraw/zinc/05/12/11/385051211.db2.gz OBBMGNUYQCNPIW-UHFFFAOYSA-N 1 0 248.326 1.772 40 0 BDABRO Cc1ccsc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000072203692 385053438 /nfs/dbraw/zinc/05/34/38/385053438.db2.gz NUXQGRHLFBZLGD-SECBINFHSA-N 1 0 224.329 1.490 40 0 BDABRO CC(C)[C@H]([NH3+])c1nocc1C(=O)N(C)C ZINC000072208412 385060496 /nfs/dbraw/zinc/06/04/96/385060496.db2.gz IEKALMLHVKLJBM-QMMMGPOBSA-N 1 0 211.265 1.032 40 0 BDABRO C[C@@H]([NH3+])[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000072208797 385061326 /nfs/dbraw/zinc/06/13/26/385061326.db2.gz AMZPJKKIQJCKDK-BDAKNGLRSA-N 1 0 244.335 1.706 40 0 BDABRO CC(C)(Nc1ccccc1)[C@H](C[NH3+])CO ZINC000072210375 385069027 /nfs/dbraw/zinc/06/90/27/385069027.db2.gz JFCNGEAJUFXKRD-SNVBAGLBSA-N 1 0 208.305 1.444 40 0 BDABRO CN(C)c1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072212668 385077869 /nfs/dbraw/zinc/07/78/69/385077869.db2.gz HCWBSQRLVJOZMV-NSHDSACASA-N 1 0 205.305 1.962 40 0 BDABRO CC[C@H]([NH3+])c1cnc(N2CCOCC2)c(C)c1 ZINC000072222515 385110643 /nfs/dbraw/zinc/11/06/43/385110643.db2.gz OCOUNQWJNPHSON-LBPRGKRZSA-N 1 0 235.331 1.636 40 0 BDABRO Cc1cc(N2CCOCC2)ncc1[C@@H](C)O ZINC000072223549 385113846 /nfs/dbraw/zinc/11/38/46/385113846.db2.gz CKUJEAFGHKVNFU-SNVBAGLBSA-N 1 0 222.288 1.280 40 0 BDABRO Cc1cc(N2CC[NH+](C)CC2)ncc1[C@@H](C)O ZINC000072223601 385115559 /nfs/dbraw/zinc/11/55/59/385115559.db2.gz XRPIBSWREWUQSC-LLVKDONJSA-N 1 0 235.331 1.195 40 0 BDABRO CC[C@@H](O)c1ccc(N2CC[NH+](C)CC2)nc1C ZINC000072224649 385119676 /nfs/dbraw/zinc/11/96/76/385119676.db2.gz PPSLWNIGHINIJG-CYBMUJFWSA-N 1 0 249.358 1.585 40 0 BDABRO C[N@@H+]1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216207 385094559 /nfs/dbraw/zinc/09/45/59/385094559.db2.gz PUNXHKFQQMQDFK-CYBMUJFWSA-N 1 0 247.342 1.685 40 0 BDABRO Cc1nc(N(C)C)ccc1[C@H]1CCC[NH2+]1 ZINC000072218723 385103996 /nfs/dbraw/zinc/10/39/96/385103996.db2.gz CNDMPEUFKDLJCO-LLVKDONJSA-N 1 0 205.305 1.881 40 0 BDABRO c1cncc(COC2CC3(C[NH2+]C3)C2)c1 ZINC000096509133 385240086 /nfs/dbraw/zinc/24/00/86/385240086.db2.gz UYCXQKXTLGCUKG-UHFFFAOYSA-N 1 0 204.273 1.350 40 0 BDABRO [NH3+][C@@H]1CCCCn2c1nnc2C(F)(F)F ZINC000096509927 385247285 /nfs/dbraw/zinc/24/72/85/385247285.db2.gz HDEAHFUEFRLIQE-RXMQYKEDSA-N 1 0 220.198 1.481 40 0 BDABRO Cn1cccc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000096511465 385252939 /nfs/dbraw/zinc/25/29/39/385252939.db2.gz OUGYHTZSUIPPIE-JTQLQIEISA-N 1 0 246.314 1.617 40 0 BDABRO [NH3+]C1CCN(c2nccc3ccoc32)CC1 ZINC000096517479 385254662 /nfs/dbraw/zinc/25/46/62/385254662.db2.gz GVXHLCNUPJSMMM-UHFFFAOYSA-N 1 0 217.272 1.755 40 0 BDABRO c1nc(C2CC2)cc(N2CCC[NH2+]CC2)n1 ZINC000096516871 385254863 /nfs/dbraw/zinc/25/48/63/385254863.db2.gz MZCIMEATOLLGEM-UHFFFAOYSA-N 1 0 218.304 1.154 40 0 BDABRO [NH3+]C[C@@H](O)COCc1ccc(Cl)c(F)c1 ZINC000095096223 385204869 /nfs/dbraw/zinc/20/48/69/385204869.db2.gz BHXMUPHPLANJTB-MRVPVSSYSA-N 1 0 233.670 1.315 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2[nH]nc3c2CCCC3)C1 ZINC000096523544 385268879 /nfs/dbraw/zinc/26/88/79/385268879.db2.gz IPZDWPJGRACUGD-SNVBAGLBSA-N 1 0 234.347 1.212 40 0 BDABRO N[C@@H](C[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000096523468 385269793 /nfs/dbraw/zinc/26/97/93/385269793.db2.gz GFVQRGJVAZDQEI-OLZOCXBDSA-N 1 0 220.316 1.143 40 0 BDABRO c1cnc2c(c1)C[C@@]1(C[NH+]3CCC1CC3)O2 ZINC000033961869 385270510 /nfs/dbraw/zinc/27/05/10/385270510.db2.gz OCKIPDMKGPYYJS-ZDUSSCGKSA-N 1 0 216.284 1.481 40 0 investigational BDABRO Cc1noc(C)c1CCN(C)C[C@H](C)[NH3+] ZINC000096523893 385270566 /nfs/dbraw/zinc/27/05/66/385270566.db2.gz RSHWTQRJWFEHSQ-QMMMGPOBSA-N 1 0 211.309 1.113 40 0 BDABRO CSCC[C@H]([NH3+])CN1CCSCC1 ZINC000096523865 385271019 /nfs/dbraw/zinc/27/10/19/385271019.db2.gz XJHMNKQFVRZWDU-VIFPVBQESA-N 1 0 220.407 1.116 40 0 BDABRO CCS(=O)(=O)C[C@H]([NH3+])c1cccc(C)c1 ZINC000096524761 385273971 /nfs/dbraw/zinc/27/39/71/385273971.db2.gz FWCHQTLEIBUFBV-NSHDSACASA-N 1 0 227.329 1.430 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1cccc(N)c1 ZINC000096524828 385274097 /nfs/dbraw/zinc/27/40/97/385274097.db2.gz SXINRXGUKVZZGX-KCJUWKMLSA-N 1 0 242.344 1.092 40 0 BDABRO CC(C)Cn1ncnc1[C@@H]1CCC[NH2+]C1 ZINC000096524342 385275443 /nfs/dbraw/zinc/27/54/43/385275443.db2.gz ATMYKWUTNPQOAF-SNVBAGLBSA-N 1 0 208.309 1.401 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])C(C)(C)C ZINC000096524854 385277126 /nfs/dbraw/zinc/27/71/26/385277126.db2.gz HJMQQCDHLRTZNJ-HTQZYQBOSA-N 1 0 207.339 1.183 40 0 BDABRO CC[C@H]([C@H]([NH3+])c1cccc(C)c1)S(C)(=O)=O ZINC000096524908 385277222 /nfs/dbraw/zinc/27/72/22/385277222.db2.gz BSYYRMRFPLMYFN-VXGBXAGGSA-N 1 0 241.356 1.818 40 0 BDABRO COC[C@@H](O)C[N@H+](C)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000191051841 385280379 /nfs/dbraw/zinc/28/03/79/385280379.db2.gz LXIXPPOSKIWXKE-MELADBBJSA-N 1 0 241.375 1.918 40 0 BDABRO Nc1cnccc1OC1CC[NH+](C2CC2)CC1 ZINC000096526679 385280888 /nfs/dbraw/zinc/28/08/88/385280888.db2.gz IQFQFUYOKGCYCC-UHFFFAOYSA-N 1 0 233.315 1.669 40 0 BDABRO c1c(C2CC2)nnn1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000399536232 385329697 /nfs/dbraw/zinc/32/96/97/385329697.db2.gz VDPCXVMBRUZSFA-ZACCUICWSA-N 1 0 218.304 1.611 40 0 BDABRO [NH3+]C[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000409429938 385328531 /nfs/dbraw/zinc/32/85/31/385328531.db2.gz UOWUMIHDHSYMBP-SECBINFHSA-N 1 0 248.355 1.866 40 0 BDABRO [NH3+][C@@H]1CCc2c1cnn2CC(F)(F)F ZINC000095098081 385483383 /nfs/dbraw/zinc/48/33/83/385483383.db2.gz WAWYHVODEFZHEW-ZCFIWIBFSA-N 1 0 205.183 1.391 40 0 BDABRO COC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000004011299 385556208 /nfs/dbraw/zinc/55/62/08/385556208.db2.gz YATGIAFCGMOEFX-MXWKQRLJSA-N 1 0 201.310 1.569 40 0 BDABRO O=C(C[NH2+]C1CC1)Nc1ccc2c(c1)OCO2 ZINC000037386678 385642948 /nfs/dbraw/zinc/64/29/48/385642948.db2.gz DIIFYTIKQIUQSP-UHFFFAOYSA-N 1 0 234.255 1.106 40 0 BDABRO CNc1ncc(C[NH2+]C2CCCC2)cn1 ZINC000062717436 385715402 /nfs/dbraw/zinc/71/54/02/385715402.db2.gz QFRWIUGDBWMAOP-UHFFFAOYSA-N 1 0 206.293 1.551 40 0 BDABRO c1cncc(-c2ncc3c(n2)CC[NH2+]C3)c1 ZINC000038579743 385670352 /nfs/dbraw/zinc/67/03/52/385670352.db2.gz MSEXSPZNAUBOKK-UHFFFAOYSA-N 1 0 212.256 1.184 40 0 BDABRO FC(F)(F)c1n[nH]c2c1CC[C@H]1C[NH2+]C[C@H]21 ZINC000257257626 385757661 /nfs/dbraw/zinc/75/76/61/385757661.db2.gz KQLVWBMMYFWVPI-FSPLSTOPSA-N 1 0 231.221 1.678 40 0 BDABRO Cc1cc(-c2cc(C)nc([C@H]3CCC[NH2+]3)n2)n[nH]1 ZINC000257327261 385764530 /nfs/dbraw/zinc/76/45/30/385764530.db2.gz XARRJCUQGYBRCU-SNVBAGLBSA-N 1 0 243.314 1.908 40 0 BDABRO C[C@H](O)C[NH2+]CCc1ccc(Cl)cc1 ZINC000021300326 385861640 /nfs/dbraw/zinc/86/16/40/385861640.db2.gz URWKQIHYBHDHPD-VIFPVBQESA-N 1 0 213.708 1.853 40 0 BDABRO c1ncn2c1C[NH2+]C[C@@H](COCC1CC1)C2 ZINC000306139137 385993135 /nfs/dbraw/zinc/99/31/35/385993135.db2.gz SQFNGOOMQCECFI-LLVKDONJSA-N 1 0 221.304 1.029 40 0 BDABRO c1ccc(CO[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000306143481 385993220 /nfs/dbraw/zinc/99/32/20/385993220.db2.gz YDGFSAGIXANILO-UONOGXRCSA-N 1 0 248.326 1.509 40 0 BDABRO C[C@@H]1[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC000261508759 386028904 /nfs/dbraw/zinc/02/89/04/386028904.db2.gz WQOAVSYOMGNWAT-AEJSXWLSSA-N 1 0 226.320 1.604 40 0 BDABRO COc1ccc([C@H](C[NH3+])N(C)C)c(OC)c1 ZINC000038827581 386141675 /nfs/dbraw/zinc/14/16/75/386141675.db2.gz PIVGAJNHFRGDPV-NSHDSACASA-N 1 0 224.304 1.265 40 0 BDABRO Cc1noc([C@H]2C[NH2+]C[C@H]2c2cccs2)n1 ZINC000328579459 386527946 /nfs/dbraw/zinc/52/79/46/386527946.db2.gz JSOYNKZEHUNFPH-BDAKNGLRSA-N 1 0 235.312 1.910 40 0 BDABRO [NH3+]Cc1cn(Cc2cccc(F)c2)cn1 ZINC000098214009 386582820 /nfs/dbraw/zinc/58/28/20/386582820.db2.gz XDCJAXDAUODURD-UHFFFAOYSA-N 1 0 205.236 1.529 40 0 BDABRO CCc1nc(-c2cccn2CC[NH3+])no1 ZINC000575415206 387023014 /nfs/dbraw/zinc/02/30/14/387023014.db2.gz ZJEVGRLCQFXDEN-UHFFFAOYSA-N 1 0 206.249 1.059 40 0 BDABRO c1cncc(N2CCO[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC000096249521 387026370 /nfs/dbraw/zinc/02/63/70/387026370.db2.gz TYDTXZWSQPKHJR-STQMWFEESA-N 1 0 233.315 1.039 40 0 BDABRO O=C1NC2(CC[NH2+]CC2)Nc2ccc(F)cc21 ZINC000072221245 387125594 /nfs/dbraw/zinc/12/55/94/387125594.db2.gz YJTRKYQLCXMZHK-UHFFFAOYSA-N 1 0 235.262 1.061 40 0 BDABRO CC[NH+](CC)CCNCc1cnn(C)c1C ZINC000086551866 387854875 /nfs/dbraw/zinc/85/48/75/387854875.db2.gz GEQBAOXHENINEG-UHFFFAOYSA-N 1 0 224.352 1.160 40 0 BDABRO CC[NH+](CC)CCNCc1c(C)nn(C)c1F ZINC000256051393 387858698 /nfs/dbraw/zinc/85/86/98/387858698.db2.gz IZRRTWYHIOHBLM-UHFFFAOYSA-N 1 0 242.342 1.299 40 0 BDABRO CC(C)n1nccc1C[NH2+]C[C@@H]1CCCO1 ZINC000256051019 387858897 /nfs/dbraw/zinc/85/88/97/387858897.db2.gz HJWHFKJKQNNZSY-LBPRGKRZSA-N 1 0 223.320 1.733 40 0 BDABRO CCn1ncc(CNCC[NH+](CC)CC)c1F ZINC000256051775 387860792 /nfs/dbraw/zinc/86/07/92/387860792.db2.gz KLPJCCGDMGSBLM-UHFFFAOYSA-N 1 0 242.342 1.474 40 0 BDABRO CCS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@H]1c1cccc(F)c1 ZINC000242688186 388400777 /nfs/dbraw/zinc/40/07/77/388400777.db2.gz VKDAXLOTUGJBND-MXWKQRLJSA-N 1 0 243.303 1.054 40 0 BDABRO [NH3+]C[C@@H](O)c1cc(Br)ccc1F ZINC000020216677 388590986 /nfs/dbraw/zinc/59/09/86/388590986.db2.gz FSZGLIYFOXWILL-MRVPVSSYSA-N 1 0 234.068 1.580 40 0 BDABRO Cc1ccnc(NC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000077488133 388676077 /nfs/dbraw/zinc/67/60/77/388676077.db2.gz IKXQGZXUWROCTQ-SNVBAGLBSA-N 1 0 207.277 1.312 40 0 BDABRO Cc1ccc([C@H](C)O[C@H]2CC[NH2+]C2)cn1 ZINC000252478449 388652314 /nfs/dbraw/zinc/65/23/14/388652314.db2.gz AMQJQFCZDRKDBV-JQWIXIFHSA-N 1 0 206.289 1.830 40 0 BDABRO CCOc1cccc([C@H]2CN(C)C[C@H]2[NH3+])c1 ZINC000252515776 388654108 /nfs/dbraw/zinc/65/41/08/388654108.db2.gz NGXVBQRXWPZTTC-CHWSQXEVSA-N 1 0 220.316 1.442 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccco1 ZINC000252517033 388654397 /nfs/dbraw/zinc/65/43/97/388654397.db2.gz ZBOTWDDBFUHQSN-BDAKNGLRSA-N 1 0 209.245 1.098 40 0 BDABRO COc1cccc([C@@H]2C[C@@]2(C[NH3+])CO)c1OC ZINC000062713529 388655478 /nfs/dbraw/zinc/65/54/78/388655478.db2.gz ZQDVKYSRTMLCHK-GXFFZTMASA-N 1 0 237.299 1.129 40 0 BDABRO CCNc1ncc(C[NH2+]CC(C)C)cn1 ZINC000062717536 388655663 /nfs/dbraw/zinc/65/56/63/388655663.db2.gz MQNVIBPIEDQFFN-UHFFFAOYSA-N 1 0 208.309 1.654 40 0 BDABRO CCCCC[NH2+]Cc1cnc(NC)nc1 ZINC000062717448 388655880 /nfs/dbraw/zinc/65/58/80/388655880.db2.gz DVGXTUMCCRFIPH-UHFFFAOYSA-N 1 0 208.309 1.798 40 0 BDABRO C[C@@H]([NH3+])c1nc2ccccc2n1CCO ZINC000019734316 388746823 /nfs/dbraw/zinc/74/68/23/388746823.db2.gz ILORXCMLTCNLQF-MRVPVSSYSA-N 1 0 205.261 1.048 40 0 BDABRO c1nc(NC[C@H]2CCCC[NH2+]2)cc(NC2CC2)n1 ZINC000079439587 388695885 /nfs/dbraw/zinc/69/58/85/388695885.db2.gz XYSKXQJGZHXKNQ-LLVKDONJSA-N 1 0 247.346 1.605 40 0 BDABRO C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000095619277 388778652 /nfs/dbraw/zinc/77/86/52/388778652.db2.gz LUQRIHNQYMTUHD-MRVPVSSYSA-N 1 0 243.104 1.195 40 0 BDABRO C[N@@H+]1C[C@@H](CO)[C@@H](c2ccccc2F)C1 ZINC000225608939 388839625 /nfs/dbraw/zinc/83/96/25/388839625.db2.gz XTRXJCILCOVILR-ONGXEEELSA-N 1 0 209.264 1.463 40 0 BDABRO c1coc(CN2CC[NH2+][C@@H]3CCC[C@@H]32)c1 ZINC000225715129 388840116 /nfs/dbraw/zinc/84/01/16/388840116.db2.gz MTDIBQMZBJQULT-NEPJUHHUSA-N 1 0 206.289 1.606 40 0 BDABRO Cc1cc(C)nc(N2CC[NH+](C3CCC3)CC2)n1 ZINC000264957041 132181217 /nfs/dbraw/zinc/18/12/17/132181217.db2.gz MMMBHWURZBHFAZ-UHFFFAOYSA-N 1 0 246.358 1.768 40 0 BDABRO Cc1ccccc1N1CCN(C[C@H](C)[NH3+])CC1 ZINC000096523933 132312104 /nfs/dbraw/zinc/31/21/04/132312104.db2.gz NLKVBHBSBRPHAA-ZDUSSCGKSA-N 1 0 233.359 1.464 40 0 BDABRO c1nc(N2CCCCC2)nc2c1C[NH2+]CC2 ZINC000020286119 132331253 /nfs/dbraw/zinc/33/12/53/132331253.db2.gz PTAKQILBTVWZGJ-UHFFFAOYSA-N 1 0 218.304 1.113 40 0 BDABRO c1cncc(N2CCO[C@H]3CC[NH2+]CC[C@H]32)c1 ZINC000107255416 132437143 /nfs/dbraw/zinc/43/71/43/132437143.db2.gz TYDTXZWSQPKHJR-OLZOCXBDSA-N 1 0 233.315 1.039 40 0 BDABRO [NH3+]C[C@@H](CC(=O)N1CCCC1)c1ccco1 ZINC000062702214 398047907 /nfs/dbraw/zinc/04/79/07/398047907.db2.gz FDNLHUXMCGESPI-SNVBAGLBSA-N 1 0 222.288 1.334 40 0 BDABRO [NH3+][C@@H]1CCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC000050228777 398120052 /nfs/dbraw/zinc/12/00/52/398120052.db2.gz DJPZDSDAIPIIRN-SECBINFHSA-N 1 0 229.283 1.341 40 0 BDABRO CC(C)COC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000082258293 167021526 /nfs/dbraw/zinc/02/15/26/167021526.db2.gz PHMWFZVWPFLZFX-GFCCVEGCSA-N 1 0 226.320 1.464 40 0 BDABRO CC(C)OCCCN1CC[NH2+][C@@H]2CCC[C@H]21 ZINC000218842650 167216870 /nfs/dbraw/zinc/21/68/70/167216870.db2.gz SHGHLIYBOOHATO-CHWSQXEVSA-N 1 0 226.364 1.628 40 0 BDABRO CC[C@H](O)c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072225527 322909130 /nfs/dbraw/zinc/90/91/30/322909130.db2.gz FHCDVHLFHVUGOU-LBPRGKRZSA-N 1 0 235.331 1.277 40 0 BDABRO CC(C)OC[C@@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000006468415 167262638 /nfs/dbraw/zinc/26/26/38/167262638.db2.gz UNQYRDSDDCNSAO-UPJWGTAASA-N 1 0 229.364 1.750 40 0 BDABRO CCN(CC)C(=O)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096268902 169758649 /nfs/dbraw/zinc/75/86/49/169758649.db2.gz MPASYVLGODHYGF-LLVKDONJSA-N 1 0 240.347 1.156 40 0 BDABRO CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1F ZINC000006363822 166633881 /nfs/dbraw/zinc/63/38/81/166633881.db2.gz SFLBEOYVHMQXLY-JTQLQIEISA-N 1 0 241.306 1.954 40 0 BDABRO CC(C)CNC(=O)COc1cccc(C[NH3+])c1 ZINC000021960082 166985165 /nfs/dbraw/zinc/98/51/65/166985165.db2.gz XSPDEBLUNJQERF-UHFFFAOYSA-N 1 0 236.315 1.296 40 0 BDABRO CC(C)OCCCNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000072796590 167220086 /nfs/dbraw/zinc/22/00/86/167220086.db2.gz MRPGBPSFZNVEMR-GFCCVEGCSA-N 1 0 242.363 1.260 40 0 BDABRO CCN(CC1(C)C[NH2+]C1)C(=O)OC(C)(C)C ZINC000199568213 169808135 /nfs/dbraw/zinc/80/81/35/169808135.db2.gz XXQYUCBMAWARSJ-UHFFFAOYSA-N 1 0 228.336 1.853 40 0 BDABRO CCn1nc(N)cc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000408716746 411257007 /nfs/dbraw/zinc/25/70/07/411257007.db2.gz QLLRKFOLZWZBKE-SNVBAGLBSA-N 1 0 222.336 1.717 40 0 BDABRO CCOC[C@H]1COCCC12CC[NH2+]CC2 ZINC000306127869 411508974 /nfs/dbraw/zinc/50/89/74/411508974.db2.gz GJQIUCRTZSXQIO-NSHDSACASA-N 1 0 213.321 1.429 40 0 BDABRO CC[NH2+]CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000001671437 170110051 /nfs/dbraw/zinc/11/00/51/170110051.db2.gz VIRGYLGTPAHEMU-UHFFFAOYSA-N 1 0 236.271 1.021 40 0 BDABRO CC[NH2+]C[C@@H](O)c1ccc(Br)cn1 ZINC000130119936 170119969 /nfs/dbraw/zinc/11/99/69/170119969.db2.gz IRAQEZLBWAGRMY-SECBINFHSA-N 1 0 245.120 1.487 40 0 BDABRO CC[NH2+]C[C@H](O)c1cncc(Br)c1 ZINC000122887970 170122917 /nfs/dbraw/zinc/12/29/17/170122917.db2.gz ZCARCZSLZIFMED-VIFPVBQESA-N 1 0 245.120 1.487 40 0 BDABRO CCOC(=O)Cc1ccc(C(N)=[NH2+])cc1 ZINC000083286021 170234921 /nfs/dbraw/zinc/23/49/21/170234921.db2.gz CJPLJGHESLADST-UHFFFAOYSA-N 1 0 206.245 1.076 40 0 BDABRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccn1 ZINC000019519644 171370777 /nfs/dbraw/zinc/37/07/77/171370777.db2.gz SBCMBPWGCXAFCF-GXSJLCMTSA-N 1 0 221.304 1.071 40 0 BDABRO CCc1nnc([C@@H]([NH3+])Cc2ccccc2)[nH]1 ZINC000048630883 172004173 /nfs/dbraw/zinc/00/41/73/172004173.db2.gz ZIEVCLHUOGIAPU-JTQLQIEISA-N 1 0 216.288 1.610 40 0 BDABRO CCn1cc(C[NH2+]Cc2cnn(C(C)C)c2)cn1 ZINC000256054597 172172966 /nfs/dbraw/zinc/17/29/66/172172966.db2.gz WYFUARLXERSWDH-UHFFFAOYSA-N 1 0 247.346 1.970 40 0 BDABRO CCn1ncc(C)c1C[NH2+]Cc1cn(C)nc1C ZINC000256053153 172254630 /nfs/dbraw/zinc/25/46/30/172254630.db2.gz QGMMZRDOWUTDRD-UHFFFAOYSA-N 1 0 247.346 1.543 40 0 BDABRO CCn1nccc1C[NH2+]Cc1cccc(O)c1 ZINC000020352537 172271702 /nfs/dbraw/zinc/27/17/02/172271702.db2.gz AOZRNQMXKIUKPL-UHFFFAOYSA-N 1 0 231.299 1.898 40 0 BDABRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000032098799 172325196 /nfs/dbraw/zinc/32/51/96/172325196.db2.gz JFFKYXDQBCCTPG-MRVPVSSYSA-N 1 0 200.282 1.563 40 0 BDABRO CN(C(=O)OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000079437731 172325253 /nfs/dbraw/zinc/32/52/53/172325253.db2.gz UCJVXPOVNQBUKI-LBPRGKRZSA-N 1 0 234.299 1.617 40 0 BDABRO C[NH+](C)CC(=O)N1CCC(c2ccccn2)CC1 ZINC000072382044 172412321 /nfs/dbraw/zinc/41/23/21/172412321.db2.gz YOSUYGZIWJQAGO-UHFFFAOYSA-N 1 0 247.342 1.349 40 0 BDABRO CN(CC[C@@H]1CC[NH2+]C1)C(=O)OC(C)(C)C ZINC000199825975 172774929 /nfs/dbraw/zinc/77/49/29/172774929.db2.gz ZOIYJRFJBWHNPE-JTQLQIEISA-N 1 0 228.336 1.853 40 0 BDABRO C[N@@H+]1CCCC[C@@H]1c1cc(CCO)n[nH]1 ZINC000072381203 173008213 /nfs/dbraw/zinc/00/82/13/173008213.db2.gz XXOGHBRGSCXZLC-LLVKDONJSA-N 1 0 209.293 1.101 40 0 BDABRO C[N@@H+]1CCC[C@H](Oc2ccncc2N)C1 ZINC000096526672 173045891 /nfs/dbraw/zinc/04/58/91/173045891.db2.gz DALQVUQLIZHRTO-VIFPVBQESA-N 1 0 207.277 1.137 40 0 BDABRO CN1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]12 ZINC000248111887 173140501 /nfs/dbraw/zinc/14/05/01/173140501.db2.gz HMPCVUFHIWQIKI-ZIAGYGMSSA-N 1 0 216.328 1.622 40 0 BDABRO C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000077031830 173190491 /nfs/dbraw/zinc/19/04/91/173190491.db2.gz VYYZBKDBMOBMBG-IUCAKERBSA-N 1 0 212.293 1.310 40 0 BDABRO C[N@@H+]1C[C@H](CO)[C@H](c2cccc(Cl)c2)C1 ZINC000217672934 173192637 /nfs/dbraw/zinc/19/26/37/173192637.db2.gz GXCBTASVJFFRNX-PWSUYJOCSA-N 1 0 225.719 1.978 40 0 BDABRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)[C@H]2O ZINC000005080941 173206807 /nfs/dbraw/zinc/20/68/07/173206807.db2.gz MJGYFJJZXVBXPH-IGQOVBAYSA-N 1 0 217.312 1.998 40 0 BDABRO CNC(=O)C1CC[NH+](CCc2ccccc2)CC1 ZINC000048417292 173224127 /nfs/dbraw/zinc/22/41/27/173224127.db2.gz IIWARXYJVCAWLA-UHFFFAOYSA-N 1 0 246.354 1.687 40 0 BDABRO CNC(=O)NCC[NH+]1CC2CCC(CC2)C1 ZINC000001637017 173290706 /nfs/dbraw/zinc/29/07/06/173290706.db2.gz JHWADYZNWUCJJU-UHFFFAOYSA-N 1 0 225.336 1.037 40 0 BDABRO CNC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000217526348 173297155 /nfs/dbraw/zinc/29/71/55/173297155.db2.gz JAHOELAZMQBMSO-STQMWFEESA-N 1 0 232.327 1.658 40 0 BDABRO CNC(=O)[C@@]1(CCCc2ccccn2)CCC[NH2+]1 ZINC000072343774 173300880 /nfs/dbraw/zinc/30/08/80/173300880.db2.gz GBWCTTHXPIDSHR-CQSZACIVSA-N 1 0 247.342 1.273 40 0 BDABRO C[NH2+]C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079437112 173369674 /nfs/dbraw/zinc/36/96/74/173369674.db2.gz QYFFWBSUIXIBQG-ZDUSSCGKSA-N 1 0 248.326 1.865 40 0 BDABRO C[NH2+]C[C@H](OC)c1cc(OC)ccc1OC ZINC000062711429 173377511 /nfs/dbraw/zinc/37/75/11/173377511.db2.gz AYNGVSXGUIWWEZ-LBPRGKRZSA-N 1 0 225.288 1.611 40 0 BDABRO COC(=O)c1ccc2c(c1)[C@@]1(CC2)COCC[NH2+]1 ZINC000306145880 173890378 /nfs/dbraw/zinc/89/03/78/173890378.db2.gz UORSDILWOXUCHW-CQSZACIVSA-N 1 0 247.294 1.235 40 0 BDABRO COC(=O)c1cccc2c(C[NH3+])c[nH]c21 ZINC000089204268 173896683 /nfs/dbraw/zinc/89/66/83/173896683.db2.gz KRVKDODSAQNJCS-UHFFFAOYSA-N 1 0 204.229 1.413 40 0 BDABRO COC1(c2ccc(Br)cc2)C[NH2+]C1 ZINC000062712784 174010581 /nfs/dbraw/zinc/01/05/81/174010581.db2.gz ZIYWFBXWBIEJMT-UHFFFAOYSA-N 1 0 242.116 1.894 40 0 BDABRO COCCC[N@@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218828519 174230634 /nfs/dbraw/zinc/23/06/34/174230634.db2.gz VYWZRUFXEWYJCB-VXGBXAGGSA-N 1 0 212.337 1.239 40 0 BDABRO COCCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000036926694 174240425 /nfs/dbraw/zinc/24/04/25/174240425.db2.gz BLWIFIOODSNDCP-GFCCVEGCSA-N 1 0 236.315 1.229 40 0 BDABRO COCC[N@@H+]1CCC[C@H](c2nc(C)c[nH]2)C1 ZINC000257228006 174308839 /nfs/dbraw/zinc/30/88/39/174308839.db2.gz FRYLWTCHNBKDDM-NSHDSACASA-N 1 0 223.320 1.544 40 0 BDABRO COCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000195566511 174386632 /nfs/dbraw/zinc/38/66/32/174386632.db2.gz PAQIWKVEZIUIDW-VWYCJHECSA-N 1 0 228.336 1.045 40 0 BDABRO COc1cc(OC)c(OC)cc1CC[NH3+] ZINC000001604307 175007325 /nfs/dbraw/zinc/00/73/25/175007325.db2.gz GKATTZLSNLYADI-UHFFFAOYSA-N 1 0 211.261 1.214 40 0 BDABRO COc1cc2c(c3c1OCO3)C[NH2+]CC2 ZINC000145797406 175020728 /nfs/dbraw/zinc/02/07/28/175020728.db2.gz CPZYMBSMCHRFRV-UHFFFAOYSA-N 1 0 207.229 1.070 40 0 BDABRO COc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000062617025 175056669 /nfs/dbraw/zinc/05/66/69/175056669.db2.gz IRPFQZBRAVUSCK-JTQLQIEISA-N 1 0 234.299 1.129 40 0 BDABRO COc1ccc(C2=NO[C@@H](C[NH3+])C2)cc1OC ZINC000070434958 175085419 /nfs/dbraw/zinc/08/54/19/175085419.db2.gz WGIBGJPLZYKVJO-SECBINFHSA-N 1 0 236.271 1.156 40 0 BDABRO COc1ccc(CN2CC[NH2+]C[C@@H]2C)cc1 ZINC000041234318 175101103 /nfs/dbraw/zinc/10/11/03/175101103.db2.gz DPAUGIAIJRNLHM-NSHDSACASA-N 1 0 220.316 1.489 40 0 BDABRO COc1ccc(NC[C@@H]2C[C@H]2C[NH3+])cc1 ZINC000096509431 175151306 /nfs/dbraw/zinc/15/13/06/175151306.db2.gz AYYUYSZJLIVLND-UWVGGRQHSA-N 1 0 206.289 1.702 40 0 BDABRO COc1ccc(N[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218874864 175155528 /nfs/dbraw/zinc/15/55/28/175155528.db2.gz XXDNHQXVLGQASR-RYUDHWBXSA-N 1 0 206.289 1.987 40 0 BDABRO COc1ccc([C@@H](O)C[NH+](C)C)cc1OC ZINC000005958008 175180963 /nfs/dbraw/zinc/18/09/63/175180963.db2.gz YAIPYAQVBZPSSC-JTQLQIEISA-N 1 0 225.288 1.299 40 0 BDABRO COc1ccc([C@@H]2C[C@]2(C[NH3+])CO)cc1 ZINC000062713321 175185518 /nfs/dbraw/zinc/18/55/18/175185518.db2.gz BDUWDTAIMSONOZ-RYUDHWBXSA-N 1 0 207.273 1.120 40 0 BDABRO COc1ccc([C@H]2CN(C)C[C@H]2[NH3+])cc1 ZINC000082378577 175195962 /nfs/dbraw/zinc/19/59/62/175195962.db2.gz SQPBLMCZKBMQOF-VXGBXAGGSA-N 1 0 206.289 1.052 40 0 BDABRO COc1ccc([C@H]2C[C@@H]2C[NH3+])cc1OC ZINC000041215824 175197720 /nfs/dbraw/zinc/19/77/20/175197720.db2.gz RAUYVYKEMYHHJA-NXEZZACHSA-N 1 0 207.273 1.766 40 0 BDABRO COc1ccc2c(c1)C[C@@H](CC[NH3+])C(=O)N2 ZINC000011982899 175210690 /nfs/dbraw/zinc/21/06/90/175210690.db2.gz MPEDRNOBJCJUCH-MRVPVSSYSA-N 1 0 220.272 1.155 40 0 BDABRO COc1ccc2c(c1)[C@@H]1OCC[NH2+][C@@H]1CC2 ZINC000001611849 175215351 /nfs/dbraw/zinc/21/53/51/175215351.db2.gz ZBQMPCXNGKZCPK-OLZOCXBDSA-N 1 0 219.284 1.671 40 0 BDABRO COc1cccc(CN(C(=O)[C@H](C)[NH3+])C2CC2)c1 ZINC000079420957 175253187 /nfs/dbraw/zinc/25/31/87/175253187.db2.gz AIUSRKFXHCZJFV-JTQLQIEISA-N 1 0 248.326 1.533 40 0 BDABRO COc1cccc(CN(CC[NH3+])C(C)C)c1 ZINC000032014354 175256457 /nfs/dbraw/zinc/25/64/57/175256457.db2.gz CXEXDVLKIQFKRQ-UHFFFAOYSA-N 1 0 222.332 1.864 40 0 BDABRO C[C@@H]1CCCCN1C(=O)C[C@H]1CCCC[NH2+]1 ZINC000020597455 176066327 /nfs/dbraw/zinc/06/63/27/176066327.db2.gz YDGAUSYYGSGDDL-VXGBXAGGSA-N 1 0 224.348 1.920 40 0 BDABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccco1 ZINC000072397531 176324146 /nfs/dbraw/zinc/32/41/46/176324146.db2.gz UIUNVKLEHFHLRL-NEPJUHHUSA-N 1 0 220.316 1.948 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1cccnc1Cl ZINC000079440042 176327074 /nfs/dbraw/zinc/32/70/74/176327074.db2.gz DLVDFILAOBUIIR-MRVPVSSYSA-N 1 0 239.706 1.169 40 0 BDABRO C[C@@H]1C[NH2+]CCN1Cc1cccc(F)c1 ZINC000054373163 176328203 /nfs/dbraw/zinc/32/82/03/176328203.db2.gz PFXPZPWTKJJHCC-SNVBAGLBSA-N 1 0 208.280 1.619 40 0 BDABRO C[C@H]([NH3+])C(=O)N(Cc1ccco1)C1CC1 ZINC000037806100 176747474 /nfs/dbraw/zinc/74/74/74/176747474.db2.gz NWBZTIAEARZDRP-QMMMGPOBSA-N 1 0 208.261 1.118 40 0 BDABRO C[C@H]([C@@H]([NH3+])c1cccc(F)c1)S(C)(=O)=O ZINC000096524790 177030671 /nfs/dbraw/zinc/03/06/71/177030671.db2.gz JBWUTPYLRAAHBX-GMSGAONNSA-N 1 0 231.292 1.259 40 0 BDABRO C[C@H](c1nccs1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000072203858 177053933 /nfs/dbraw/zinc/05/39/33/177053933.db2.gz HLWZWVHOTIFKLT-NXEZZACHSA-N 1 0 225.361 1.888 40 0 BDABRO C[C@H]1C[C@H]([NH2+]C[C@H](O)CO)CC(C)(C)C1 ZINC000004803905 177370720 /nfs/dbraw/zinc/37/07/20/177370720.db2.gz IMTMQBHEIQEOEX-DCAQKATOSA-N 1 0 215.337 1.144 40 0 BDABRO C[C@H]1[NH2+]CCC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000217677886 177394954 /nfs/dbraw/zinc/39/49/54/177394954.db2.gz NWFQIKRLZPHXDX-ZJUUUORDSA-N 1 0 228.336 1.994 40 0 BDABRO C[C@]1(C[NH3+])CCN1C(=O)OCc1ccccc1 ZINC000261506970 177459965 /nfs/dbraw/zinc/45/99/65/177459965.db2.gz DCIYOSFLNTUNRE-CYBMUJFWSA-N 1 0 234.299 1.746 40 0 BDABRO FC(F)(F)CN1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000200943188 262710947 /nfs/dbraw/zinc/71/09/47/262710947.db2.gz HMXUITWZJXSEBR-BDAKNGLRSA-N 1 0 222.254 1.765 40 0 BDABRO C[C@H]([NH3+])[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000072208796 262722108 /nfs/dbraw/zinc/72/21/08/262722108.db2.gz AMZPJKKIQJCKDK-IUCAKERBSA-N 1 0 244.335 1.706 40 0 BDABRO Fc1cccc(CNC[C@@H]2CCC[NH2+]2)c1 ZINC000072202925 487995203 /nfs/dbraw/zinc/99/52/03/487995203.db2.gz YDAFAKBGAQYRFL-LBPRGKRZSA-N 1 0 208.280 1.667 40 0 BDABRO [NH3+]Cc1cc(Br)ccc1CO ZINC000228965895 527243843 /nfs/dbraw/zinc/24/38/43/527243843.db2.gz YOMOKFFALLBIKB-UHFFFAOYSA-N 1 0 216.078 1.400 40 0 BDABRO Nc1cc(-c2ccc(N3CC[NH2+]CC3)cc2)[nH]n1 ZINC000228928837 527439274 /nfs/dbraw/zinc/43/92/74/527439274.db2.gz KNJXVWPZSDKTLC-UHFFFAOYSA-N 1 0 243.314 1.069 40 0 BDABRO Cn1cccc1-c1noc([C@H]2CCCC[NH2+]2)n1 ZINC000328579675 633778981 /nfs/dbraw/zinc/77/89/81/633778981.db2.gz VWHVIHNPZUTMCZ-SECBINFHSA-N 1 0 232.287 1.890 40 0 BDABRO Cc1cc(CN2CC[C@H]([NH3+])C2)ccc1F ZINC000038538892 178004082 /nfs/dbraw/zinc/00/40/82/178004082.db2.gz GFEQDXLEQCGSSY-NSHDSACASA-N 1 0 208.280 1.667 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000072361114 343979966 /nfs/dbraw/zinc/97/99/66/343979966.db2.gz CTHOPKQUJJLPMQ-LLVKDONJSA-N 1 0 234.347 1.894 40 0 BDABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1nncn1C ZINC000072383183 343980008 /nfs/dbraw/zinc/98/00/08/343980008.db2.gz JQFARRMAJBSLHV-LLVKDONJSA-N 1 0 222.336 1.998 40 0 BDABRO Cc1cc(N(C)C)cc([C@H]2C[NH2+]CCO2)n1 ZINC000257198066 178094981 /nfs/dbraw/zinc/09/49/81/178094981.db2.gz RNTIDQYXOLPLQR-GFCCVEGCSA-N 1 0 221.304 1.117 40 0 BDABRO Cc1cc(N(C)C)nc(CC2CC[NH+](C)CC2)n1 ZINC000072370194 178097296 /nfs/dbraw/zinc/09/72/96/178097296.db2.gz GXQFIHKKUSCJDR-UHFFFAOYSA-N 1 0 248.374 1.735 40 0 BDABRO CC(=O)NCc1ccc([C@@H]2CCC[NH2+]2)nc1 ZINC000257198134 187330805 /nfs/dbraw/zinc/33/08/05/187330805.db2.gz UHINQWNUXIAALS-NSHDSACASA-N 1 0 219.288 1.142 40 0 BDABRO CCc1ccc([C@H](CO)N2CCOCC2)cc1 ZINC000070452923 259313590 /nfs/dbraw/zinc/31/35/90/259313590.db2.gz GYDUNUHZGSBBCL-AWEZNQCLSA-N 1 0 235.327 1.615 40 0 BDABRO Cc1ccccc1[C@@](C)(C[NH3+])N1CCOCC1 ZINC000070453400 259313854 /nfs/dbraw/zinc/31/38/54/259313854.db2.gz VTGCZDKMZMQGAC-CQSZACIVSA-N 1 0 234.343 1.501 40 0 BDABRO Cc1ccc(C(=O)C(CN(C)C)C[NH+](C)C)cc1 ZINC000001572429 178371505 /nfs/dbraw/zinc/37/15/05/178371505.db2.gz HGUJNVFILDVAEI-UHFFFAOYSA-N 1 0 248.370 1.917 40 0 BDABRO CCOC(=O)C[C@](C)([NH3+])c1ccc(OC)cc1 ZINC000072210262 259316574 /nfs/dbraw/zinc/31/65/74/259316574.db2.gz XVUZMMKWXVKLIL-ZDUSSCGKSA-N 1 0 237.299 1.822 40 0 BDABRO CCOC(=O)[C@H](N)[C@@H](C(C)C)[NH+](CC)CC ZINC000072210526 259316685 /nfs/dbraw/zinc/31/66/85/259316685.db2.gz GMTBAXOOAFAWOT-GHMZBOCLSA-N 1 0 230.352 1.243 40 0 BDABRO Cc1cccc(C(CN(C)C)C[NH+](C)C)n1 ZINC000001717676 342710896 /nfs/dbraw/zinc/71/08/96/342710896.db2.gz YCKGKTZOVSVGOE-UHFFFAOYSA-N 1 0 221.348 1.597 40 0 BDABRO CCn1nc(C)c([C@H](C)OCC[NH3+])c1C ZINC000072219916 259318909 /nfs/dbraw/zinc/31/89/09/259318909.db2.gz CTIYBFVTOQMMIK-JTQLQIEISA-N 1 0 211.309 1.556 40 0 BDABRO Cn1c2ccccc2nc1OC[C@H]1CCC[NH2+]C1 ZINC000043220332 342790879 /nfs/dbraw/zinc/79/08/79/342790879.db2.gz TVTPDPDTFMIXFI-NSHDSACASA-N 1 0 245.326 1.952 40 0 BDABRO C[NH2+]Cc1cnc(Br)cc1C ZINC000072222965 259320956 /nfs/dbraw/zinc/32/09/56/259320956.db2.gz FPBOVCCQIXSMKY-UHFFFAOYSA-N 1 0 215.094 1.872 40 0 BDABRO Cc1cc(C[NH3+])cnc1I ZINC000072225951 259322699 /nfs/dbraw/zinc/32/26/99/259322699.db2.gz FTEVTWPXTHMTEG-UHFFFAOYSA-N 1 0 248.067 1.453 40 0 BDABRO C[C@H]([NH3+])CN(C)c1cnnc2ccccc21 ZINC000082592537 259323180 /nfs/dbraw/zinc/32/31/80/259323180.db2.gz APOMUAPISQOARN-VIFPVBQESA-N 1 0 216.288 1.413 40 0 BDABRO COC(=O)C[C@@H](C[NH3+])c1cccc(F)c1 ZINC000062702177 398302404 /nfs/dbraw/zinc/30/24/04/398302404.db2.gz HJMHJOXGYHJIBG-VIFPVBQESA-N 1 0 211.236 1.431 40 0 BDABRO CN(C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062709498 398302313 /nfs/dbraw/zinc/30/23/13/398302313.db2.gz NPNGPGZRSJFXEA-VIFPVBQESA-N 1 0 218.222 1.665 40 0 BDABRO CCOC[C@@H]1C[N@H+](CC2CC2)Cc2cnn(C)c21 ZINC000096060092 398312329 /nfs/dbraw/zinc/31/23/29/398312329.db2.gz SONKXFUNRVFJMJ-ZDUSSCGKSA-N 1 0 249.358 1.766 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1cccc(F)c1 ZINC000217668289 398322829 /nfs/dbraw/zinc/32/28/29/398322829.db2.gz RECSJVDZPUFSAZ-NEPJUHHUSA-N 1 0 237.274 1.644 40 0 BDABRO Cc1ccc(C)c(-c2noc(CC[NH3+])n2)c1 ZINC000082536015 178462354 /nfs/dbraw/zinc/46/23/54/178462354.db2.gz GGIJXRFQZKQURX-UHFFFAOYSA-N 1 0 217.272 1.855 40 0 BDABRO CC[C@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000214564160 343077543 /nfs/dbraw/zinc/07/75/43/343077543.db2.gz IQABHQNNJFMISW-VIFPVBQESA-N 1 0 214.309 1.591 40 0 BDABRO C[C@H]([NH3+])c1cn(C(=O)OC(C)(C)C)cn1 ZINC000026896568 343110830 /nfs/dbraw/zinc/11/08/30/343110830.db2.gz DPJDQNIFLGDXIE-ZETCQYMHSA-N 1 0 211.265 1.686 40 0 BDABRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(O)cc1 ZINC000259603709 343135128 /nfs/dbraw/zinc/13/51/28/343135128.db2.gz FLAIGAZHHHCSDP-NWDGAFQWSA-N 1 0 235.283 1.258 40 0 BDABRO CC(C)COC[C@H](O)C[NH+]1CCCCC1 ZINC000005380635 187248117 /nfs/dbraw/zinc/24/81/17/187248117.db2.gz WYGFPFCWKUDPQY-GFCCVEGCSA-N 1 0 215.337 1.506 40 0 BDABRO CC(C)N(Cc1ccc(F)cc1)C(=O)C[NH3+] ZINC000032014792 343290573 /nfs/dbraw/zinc/29/05/73/343290573.db2.gz BCIXDJZIKMPJKN-UHFFFAOYSA-N 1 0 224.279 1.521 40 0 BDABRO COC(=O)[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC000035133326 343285618 /nfs/dbraw/zinc/28/56/18/343285618.db2.gz IXUJTWWDAFOYJS-VIFPVBQESA-N 1 0 225.263 1.724 40 0 BDABRO CCN(Cc1cccc(F)c1)C(=O)C[NH3+] ZINC000037498073 343310467 /nfs/dbraw/zinc/31/04/67/343310467.db2.gz FZNJYOXGJOSXLG-UHFFFAOYSA-N 1 0 210.252 1.133 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)NCc1cccc(Cl)c1 ZINC000035661245 187258017 /nfs/dbraw/zinc/25/80/17/187258017.db2.gz KZSRJEGSKMPYFF-NSHDSACASA-N 1 0 240.734 1.940 40 0 BDABRO CCN(Cc1ccccc1OC)C(=O)[C@H](C)[NH3+] ZINC000079420913 343400436 /nfs/dbraw/zinc/40/04/36/343400436.db2.gz ZLDGEZRYPNALTB-JTQLQIEISA-N 1 0 236.315 1.391 40 0 BDABRO CC(C)(C)OC(=O)[C@@H](N)C[C@@H]1CCCC[NH2+]1 ZINC000040448425 343403417 /nfs/dbraw/zinc/40/34/17/343403417.db2.gz SBGGYLSKSFJIQO-UWVGGRQHSA-N 1 0 228.336 1.188 40 0 BDABRO COC(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000044135382 343492680 /nfs/dbraw/zinc/49/26/80/343492680.db2.gz ASAPISFCAQAERO-VIFPVBQESA-N 1 0 205.257 1.550 40 0 BDABRO C[C@H](C[NH2+]C[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000047219087 343559820 /nfs/dbraw/zinc/55/98/20/343559820.db2.gz MDPGJIQDPHAHST-MNOVXSKESA-N 1 0 243.347 1.733 40 0 BDABRO CC(C)[N@H+](CC(=O)[O-])C1CCC([NH+](C)C)CC1 ZINC000083318591 187266777 /nfs/dbraw/zinc/26/67/77/187266777.db2.gz VWXPKAUYGWEATB-UHFFFAOYSA-N 1 0 242.363 1.654 40 0 BDABRO Fc1ccc(CNC2CC[NH2+]CC2)cc1F ZINC000049577565 343603073 /nfs/dbraw/zinc/60/30/73/343603073.db2.gz ALGZLYFNXMUGKU-UHFFFAOYSA-N 1 0 226.270 1.806 40 0 BDABRO CN[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000050269798 259369967 /nfs/dbraw/zinc/36/99/67/259369967.db2.gz FDFWOTYUZMZRFR-VIFPVBQESA-N 1 0 218.222 1.925 40 0 BDABRO CN[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000050269830 259369974 /nfs/dbraw/zinc/36/99/74/259369974.db2.gz RLWOABABNDOCBI-VIFPVBQESA-N 1 0 218.222 1.925 40 0 BDABRO CC[C@@H]([C@H]([NH3+])c1ccc(C)cc1)S(C)(=O)=O ZINC000096524883 343758987 /nfs/dbraw/zinc/75/89/87/343758987.db2.gz UMDNLKUZIWUFBZ-NWDGAFQWSA-N 1 0 241.356 1.818 40 0 BDABRO CCN1CC[NH+](C[C@@H]2Cc3ccccc3N2)CC1 ZINC000096524014 343759006 /nfs/dbraw/zinc/75/90/06/343759006.db2.gz YOANJFDVQDMTAP-AWEZNQCLSA-N 1 0 245.370 1.661 40 0 BDABRO CC[C@@H]([C@@H]([NH3+])c1cccc(C)c1)S(C)(=O)=O ZINC000096524909 343759031 /nfs/dbraw/zinc/75/90/31/343759031.db2.gz BSYYRMRFPLMYFN-RYUDHWBXSA-N 1 0 241.356 1.818 40 0 BDABRO [NH3+][C@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000049577857 343781958 /nfs/dbraw/zinc/78/19/58/343781958.db2.gz VKVICYGZWPAIHB-VIFPVBQESA-N 1 0 212.243 1.498 40 0 BDABRO Cc1ccc(CN2CC[C@H]([NH3+])C2)cc1C ZINC000038538876 343783218 /nfs/dbraw/zinc/78/32/18/343783218.db2.gz KNQLJUDPCORRRM-ZDUSSCGKSA-N 1 0 204.317 1.836 40 0 BDABRO [NH3+]Cc1cn(Cc2ccc(F)c(F)c2)cn1 ZINC000236234203 343795589 /nfs/dbraw/zinc/79/55/89/343795589.db2.gz QKCQPEPTGGXXSC-UHFFFAOYSA-N 1 0 223.226 1.668 40 0 BDABRO OC[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)s1 ZINC000307177188 343797126 /nfs/dbraw/zinc/79/71/26/343797126.db2.gz WGPPWTVZVBYNCR-RQJHMYQMSA-N 1 0 217.721 1.697 40 0 BDABRO CO[C@@H]1C[NH2+]CC[C@@H]1Cc1ccccc1F ZINC000221729782 346983026 /nfs/dbraw/zinc/98/30/26/346983026.db2.gz CTHARFBCWXNPQM-DGCLKSJQSA-N 1 0 223.291 1.993 40 0 BDABRO CO[C@@H]1CC[NH2+]C[C@H]1Cc1cccc(F)c1 ZINC000221731094 346987068 /nfs/dbraw/zinc/98/70/68/346987068.db2.gz BATOXWCYRQWBLC-DGCLKSJQSA-N 1 0 223.291 1.993 40 0 BDABRO CN(C)c1ccc([C@H]2C[NH2+]C[C@H]2CO)cc1 ZINC000396806277 343810772 /nfs/dbraw/zinc/81/07/72/343810772.db2.gz FWCOBNPVVOGNSG-WCQYABFASA-N 1 0 220.316 1.048 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1sccc1C ZINC000396830340 343810901 /nfs/dbraw/zinc/81/09/01/343810901.db2.gz RHBJKDNSPWPFRO-DTWKUNHWSA-N 1 0 225.313 1.533 40 0 BDABRO Cc1nccc(C2CN(c3ccnc(C)n3)C2)n1 ZINC000072381916 187276353 /nfs/dbraw/zinc/27/63/53/187276353.db2.gz YUEULMDJMMBVAR-UHFFFAOYSA-N 1 0 241.298 1.487 40 0 BDABRO C=Cn1cc(C[N@@H+]2CCC[C@H](O)C2)c(C)n1 ZINC000072397822 187276596 /nfs/dbraw/zinc/27/65/96/187276596.db2.gz NNNUVSJZUCXIRM-LBPRGKRZSA-N 1 0 221.304 1.249 40 0 BDABRO Cc1nc(C2CN(c3ccccn3)C2)cc(=O)[nH]1 ZINC000072381752 187276763 /nfs/dbraw/zinc/27/67/63/187276763.db2.gz NIAZZDOKVJAELH-UHFFFAOYSA-N 1 0 242.282 1.489 40 0 BDABRO NCC(F)(C[NH3+])Cc1cccc(Cl)c1 ZINC000585142197 343876916 /nfs/dbraw/zinc/87/69/16/343876916.db2.gz JLXDLVICENJKBE-UHFFFAOYSA-N 1 0 216.687 1.508 40 0 BDABRO COc1ccc(-n2cc(C[NH3+])nn2)c(C)c1 ZINC000585143473 343877604 /nfs/dbraw/zinc/87/76/04/343877604.db2.gz WMQCYEGMAHTEDT-UHFFFAOYSA-N 1 0 218.260 1.043 40 0 BDABRO Cc1nc(COC[C@H]2CCC[NH2+]C2)co1 ZINC000585144645 343879652 /nfs/dbraw/zinc/87/96/52/343879652.db2.gz WORUBKYAIGXNCQ-JTQLQIEISA-N 1 0 210.277 1.499 40 0 BDABRO CCCn1ccc([C@H](O)C2(C[NH3+])CCC2)n1 ZINC000085395983 187285587 /nfs/dbraw/zinc/28/55/87/187285587.db2.gz OFHANYTUAARFLW-NSHDSACASA-N 1 0 223.320 1.456 40 0 BDABRO C[C@@H]([NH3+])c1cnn(C[C@@H]2CCCOC2)c1 ZINC000585143041 344178666 /nfs/dbraw/zinc/17/86/66/344178666.db2.gz OTOLBYMCQWRTJK-ZJUUUORDSA-N 1 0 209.293 1.329 40 0 BDABRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccsc3)[C@H]2C1 ZINC000585107624 344135019 /nfs/dbraw/zinc/13/50/19/344135019.db2.gz ALQLHJFBHMVPPA-KOLCDFICSA-N 1 0 236.340 1.524 40 0 BDABRO C(C[NH+]1CCCC1)N1CC[C@]2(CCCO2)C1 ZINC000096051034 187289003 /nfs/dbraw/zinc/28/90/03/187289003.db2.gz AZRYLRAVCPXQAT-CYBMUJFWSA-N 1 0 224.348 1.337 40 0 BDABRO Cc1cccc(OC[C@@]2(O)CC[NH2+]C2)c1 ZINC000585269102 344388242 /nfs/dbraw/zinc/38/82/42/344388242.db2.gz KCVFHQIJSDXEPB-GFCCVEGCSA-N 1 0 207.273 1.098 40 0 BDABRO Cc1cccc(OC[C@]2(O)CC[NH2+]C2)c1 ZINC000585269103 344388270 /nfs/dbraw/zinc/38/82/70/344388270.db2.gz KCVFHQIJSDXEPB-LBPRGKRZSA-N 1 0 207.273 1.098 40 0 BDABRO Cc1ccccc1OC[C@]1(O)CC[NH2+]C1 ZINC000585274293 344396985 /nfs/dbraw/zinc/39/69/85/344396985.db2.gz IGYHDBGYJOLIFR-LBPRGKRZSA-N 1 0 207.273 1.098 40 0 BDABRO Cc1ccc(N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC000096223707 178774389 /nfs/dbraw/zinc/77/43/89/178774389.db2.gz RQDDJTWDUQIPHR-AAEUAGOBSA-N 1 0 248.330 1.108 40 0 BDABRO Cc1cccc(CN2CC[NH2+]C[C@@H]2C)c1 ZINC000041213203 179079957 /nfs/dbraw/zinc/07/99/57/179079957.db2.gz GOIOTTTUSVAYLX-LBPRGKRZSA-N 1 0 204.317 1.789 40 0 BDABRO CO[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000016158190 347167782 /nfs/dbraw/zinc/16/77/82/347167782.db2.gz OJYYVIVMIWTFGH-VXGBXAGGSA-N 1 0 209.264 1.918 40 0 BDABRO O=C(c1cccnc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932142 347209934 /nfs/dbraw/zinc/20/99/34/347209934.db2.gz UXTGUILTYJCTMN-GFCCVEGCSA-N 1 0 231.299 1.002 40 0 BDABRO Cc1ccccc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000014984844 179247619 /nfs/dbraw/zinc/24/76/19/179247619.db2.gz FQKXQGRMNAHYBN-LLVKDONJSA-N 1 0 218.300 1.429 40 0 BDABRO Cc1ccccc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000077266447 179275251 /nfs/dbraw/zinc/27/52/51/179275251.db2.gz XENHNVPOPNQZQB-ZDUSSCGKSA-N 1 0 245.326 1.204 40 0 biogenic,in-vitro BDABRO O=C(C[NH2+]C1CC1)NC1CCCCCC1 ZINC000037387039 348411598 /nfs/dbraw/zinc/41/15/98/348411598.db2.gz PEWQMNKLOWTRLP-UHFFFAOYSA-N 1 0 210.321 1.577 40 0 BDABRO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[NH2+]2)n1 ZINC000205687270 348575302 /nfs/dbraw/zinc/57/53/02/348575302.db2.gz PDTGXIBBVZHOSV-SECBINFHSA-N 1 0 229.287 1.600 40 0 BDABRO CCCCOc1ccccc1[C@H](O)C[NH3+] ZINC000032012259 349424632 /nfs/dbraw/zinc/42/46/32/349424632.db2.gz LJQQFWIASZPWNT-LLVKDONJSA-N 1 0 209.289 1.858 40 0 BDABRO Cc1nc([C@@H]2CCC[NH2+]2)cc(N(C)C)n1 ZINC000257302028 180042802 /nfs/dbraw/zinc/04/28/02/180042802.db2.gz SBBVHOGGSISQPS-VIFPVBQESA-N 1 0 206.293 1.276 40 0 BDABRO Cc1nc2c(c(=O)[nH]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019576521 180067814 /nfs/dbraw/zinc/06/78/14/180067814.db2.gz WIJHSODQAZQWOF-UHFFFAOYSA-N 1 0 247.342 1.769 40 0 BDABRO Cc1nc([C@H]2CCC[NH2+]C2)cc(N2CCCC2)n1 ZINC000072386399 180057767 /nfs/dbraw/zinc/05/77/67/180057767.db2.gz CHJVQUHMXNBIBW-LBPRGKRZSA-N 1 0 246.358 1.852 40 0 BDABRO Cc1nc2cc(NC(=O)[C@H]3CC[NH2+]C3)ccc2[nH]1 ZINC000062114010 180081767 /nfs/dbraw/zinc/08/17/67/180081767.db2.gz KJDHOGVMLQRYFL-VIFPVBQESA-N 1 0 244.298 1.419 40 0 BDABRO Cc1ncc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000257240358 180145935 /nfs/dbraw/zinc/14/59/35/180145935.db2.gz HTCNBLDDFNVIRA-GFCCVEGCSA-N 1 0 243.314 1.498 40 0 BDABRO Cc1nccn1-c1nccnc1[C@H]1CCC[NH2+]C1 ZINC000072348377 180230626 /nfs/dbraw/zinc/23/06/26/180230626.db2.gz IUFACSBXNGWJAL-NSHDSACASA-N 1 0 243.314 1.438 40 0 BDABRO Cc1nn(C)c(F)c1C[NH2+]C[C@H]1CCCO1 ZINC000256051763 180351943 /nfs/dbraw/zinc/35/19/43/180351943.db2.gz KKZCICJQHRQEJH-SECBINFHSA-N 1 0 227.283 1.136 40 0 BDABRO Cc1nn(C)cc1CN(C)C[C@@H]([NH3+])C(C)C ZINC000096523750 180372177 /nfs/dbraw/zinc/37/21/77/180372177.db2.gz NBUURGIDQUBDMN-GFCCVEGCSA-N 1 0 224.352 1.144 40 0 BDABRO Cc1nn(C2CCCC2)cc1C[NH2+]CCO ZINC000256054740 180385051 /nfs/dbraw/zinc/38/50/51/180385051.db2.gz XOQVSVZMYKMSOR-UHFFFAOYSA-N 1 0 223.320 1.389 40 0 BDABRO COc1ccc(CN2CC[C@H]([NH3+])C2)cc1C ZINC000038538900 490688800 /nfs/dbraw/zinc/68/88/00/490688800.db2.gz YSYKGJGDOVWJAC-LBPRGKRZSA-N 1 0 220.316 1.537 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000307008728 351416318 /nfs/dbraw/zinc/41/63/18/351416318.db2.gz HLEQZRPOOJVDHJ-MYJAWHEDSA-N 1 0 226.320 1.591 40 0 BDABRO CC(C)(C)OC(=O)[C@H](N)[C@]1(C)CCC[NH2+]C1 ZINC000602985554 351865931 /nfs/dbraw/zinc/86/59/31/351865931.db2.gz LEAYJOBYTRDDGM-JOYOIKCWSA-N 1 0 228.336 1.045 40 0 BDABRO CC(C)c1ccc(S(=O)(=O)CC[NH3+])cc1 ZINC000011896408 363182986 /nfs/dbraw/zinc/18/29/86/363182986.db2.gz WNGAWYIAWGDANL-UHFFFAOYSA-N 1 0 227.329 1.542 40 0 BDABRO Cc1ccc(NC[C@@H]2CCC[NH2+]C2)nc1 ZINC000044503045 352341849 /nfs/dbraw/zinc/34/18/49/352341849.db2.gz OMSRMQRNAHADTC-LLVKDONJSA-N 1 0 205.305 1.802 40 0 BDABRO Cn1nccc1-c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000257210649 180828708 /nfs/dbraw/zinc/82/87/08/180828708.db2.gz BVPDEWLEGUISSK-VIFPVBQESA-N 1 0 229.287 1.302 40 0 BDABRO FC(F)(F)c1cccc(O[C@H]2CC[NH2+]C2)n1 ZINC000051868741 180896116 /nfs/dbraw/zinc/89/61/16/180896116.db2.gz IJCPVGYNFBCNRN-ZETCQYMHSA-N 1 0 232.205 1.841 40 0 BDABRO Fc1ccc2nc(CN3CC[NH2+]CC3)ccc2c1 ZINC000096837478 180991820 /nfs/dbraw/zinc/99/18/20/180991820.db2.gz JJOPJMLAHFWISE-UHFFFAOYSA-N 1 0 245.301 1.779 40 0 BDABRO NC(=[NH2+])Nc1nc2ccccc2c(=S)[nH]1 ZINC000028443439 181190707 /nfs/dbraw/zinc/19/07/07/181190707.db2.gz IPKOSQHJUIDZIA-UHFFFAOYSA-N 1 0 219.273 1.598 40 0 BDABRO NC(=[NH2+])SCc1nc(-c2ccccc2)no1 ZINC000083588941 181192248 /nfs/dbraw/zinc/19/22/48/181192248.db2.gz PSBDUPJGFRYEAR-UHFFFAOYSA-N 1 0 234.284 1.863 40 0 BDABRO NC(=[NH2+])c1c(F)cccc1Br ZINC000075847651 181192874 /nfs/dbraw/zinc/19/28/74/181192874.db2.gz YVBKBNYVGDCDTD-UHFFFAOYSA-N 1 0 217.041 1.872 40 0 BDABRO CC(C)CN1c2ccccc2[C@]2(CC[NH2+]C2)C1=O ZINC000096244817 355800520 /nfs/dbraw/zinc/80/05/20/355800520.db2.gz ZTYFYPYYTNINAI-OAHLLOKOSA-N 1 0 244.338 1.920 40 0 BDABRO NC(=O)C1([NH2+]Cc2ccncc2)CCCCCC1 ZINC000096102457 181215210 /nfs/dbraw/zinc/21/52/10/181215210.db2.gz MFDSORVKPKUAHF-UHFFFAOYSA-N 1 0 247.342 1.750 40 0 BDABRO Fc1ccc(CN2C[C@H]3C[C@@H]2C[NH2+]3)c(F)c1 ZINC000019796110 356484894 /nfs/dbraw/zinc/48/48/94/356484894.db2.gz KETXFVZMEXESPO-GHMZBOCLSA-N 1 0 224.254 1.511 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)s1 ZINC000212449671 356836024 /nfs/dbraw/zinc/83/60/24/356836024.db2.gz PURARSDHSLTWJZ-BQBZGAKWSA-N 1 0 245.731 1.878 40 0 BDABRO C[NH+](C)Cc1[nH]nc(N)c1-c1ccccc1F ZINC000026511495 357164127 /nfs/dbraw/zinc/16/41/27/357164127.db2.gz BKAVGWOICHUYIL-UHFFFAOYSA-N 1 0 234.278 1.860 40 0 BDABRO [NH3+]CCc1nc(C(F)(F)F)n2ccccc12 ZINC000212697343 357788551 /nfs/dbraw/zinc/78/85/51/357788551.db2.gz NQYDFUMVLGVMAL-UHFFFAOYSA-N 1 0 229.205 1.854 40 0 BDABRO C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000005394057 360488372 /nfs/dbraw/zinc/48/83/72/360488372.db2.gz VAZXXAVHCHRHJJ-DGCLKSJQSA-N 1 0 220.316 1.989 40 0 biogenic,in-vitro BDABRO OC1(COc2ccccc2)CC[NH2+]CC1 ZINC000039645667 361061564 /nfs/dbraw/zinc/06/15/64/361061564.db2.gz SMBKIOOFCOSHHN-UHFFFAOYSA-N 1 0 207.273 1.180 40 0 BDABRO [NH3+]C1CCN(Cc2ccc(O)cc2)CC1 ZINC000020521661 181344886 /nfs/dbraw/zinc/34/48/86/181344886.db2.gz AMGFIJVPWRHZFG-UHFFFAOYSA-N 1 0 206.289 1.315 40 0 BDABRO COc1ccc([C@@]2(C)C[NH2+]CCO2)cc1 ZINC000011803671 370759263 /nfs/dbraw/zinc/75/92/63/370759263.db2.gz BYOVTHPRQFMBDG-GFCCVEGCSA-N 1 0 207.273 1.530 40 0 BDABRO [NH3+]CCN(Cc1ccc(Cl)nn1)C1CC1 ZINC000079422393 181390208 /nfs/dbraw/zinc/39/02/08/181390208.db2.gz WIHJLKAYJBLQMR-UHFFFAOYSA-N 1 0 226.711 1.053 40 0 BDABRO [NH3+]CCNc1nccc2ccc(F)cc21 ZINC000082765957 181398674 /nfs/dbraw/zinc/39/86/74/181398674.db2.gz YLXNDCJORFOHLZ-UHFFFAOYSA-N 1 0 205.236 1.745 40 0 BDABRO O=c1[nH]cnc2c1C[C@H](Cc1ccccc1)[NH2+]C2 ZINC000078369047 368336668 /nfs/dbraw/zinc/33/66/68/368336668.db2.gz UIEKIKYVLQQNCB-NSHDSACASA-N 1 0 241.294 1.027 40 0 BDABRO C[C@H](c1nccs1)N1CC[NH2+][C@H](C)C1 ZINC000101635898 368339938 /nfs/dbraw/zinc/33/99/38/368339938.db2.gz KFZHVOFFFZHVDL-RKDXNWHRSA-N 1 0 211.334 1.498 40 0 BDABRO Cc1nccc([C@@]2(C)CCC[N@H+](CCO)C2)n1 ZINC000205678360 368356021 /nfs/dbraw/zinc/35/60/21/368356021.db2.gz JIWNTMGVMMBXDD-ZDUSSCGKSA-N 1 0 235.331 1.131 40 0 BDABRO [NH3+]C[C@@H]1[C@@H](F)CCCN1Cc1ccccc1 ZINC000263583535 181439510 /nfs/dbraw/zinc/43/95/10/181439510.db2.gz ICHZCEZXZLAOOB-QWHCGFSZSA-N 1 0 222.307 1.948 40 0 BDABRO [NH3+]C[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 ZINC000011885874 181467078 /nfs/dbraw/zinc/46/70/78/181467078.db2.gz URHLIEZUUMCYOY-LBPRGKRZSA-N 1 0 240.734 1.500 40 0 BDABRO [NH3+]C[C@H]1COc2ccc(Br)cc2C1 ZINC000066354228 181468608 /nfs/dbraw/zinc/46/86/08/181468608.db2.gz SMBZBESXIBDHBG-ZETCQYMHSA-N 1 0 242.116 1.959 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C[C@H](F)C1 ZINC000107260504 369340275 /nfs/dbraw/zinc/34/02/75/369340275.db2.gz QHVIBSNJHHGNCZ-JGVFFNPUSA-N 1 0 218.272 1.293 40 0 BDABRO CCN1CCC[C@H]1C[NH2+]C[C@H](C)OC ZINC000110768070 369978245 /nfs/dbraw/zinc/97/82/45/369978245.db2.gz HCLGTEXDRCIUDH-QWRGUYRKSA-N 1 0 200.326 1.095 40 0 BDABRO CCOCCCN1CC[NH2+][C@H]2CCC[C@@H]21 ZINC000225715815 259541111 /nfs/dbraw/zinc/54/11/11/259541111.db2.gz XMJKNXPALFVAJK-RYUDHWBXSA-N 1 0 212.337 1.239 40 0 BDABRO Cn1cncc1-c1cncc(C[C@H]2CC[NH2+]C2)n1 ZINC000205695530 369997797 /nfs/dbraw/zinc/99/77/97/369997797.db2.gz NOLADVPJRWMPFE-SNVBAGLBSA-N 1 0 243.314 1.029 40 0 BDABRO NNc1cccc(OCc2ccncc2)[nH+]1 ZINC000033358734 181519473 /nfs/dbraw/zinc/51/94/73/181519473.db2.gz CDKSGLCIPHPWKV-UHFFFAOYSA-N 1 0 216.244 1.341 40 0 BDABRO [NH3+][C@H]1CCCN(c2ncnc3c2CCCC3)C1 ZINC000094872438 371237725 /nfs/dbraw/zinc/23/77/25/371237725.db2.gz OHOJUODTRTYTES-JTQLQIEISA-N 1 0 232.331 1.283 40 0 BDABRO [NH3+][C@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000050227862 181652083 /nfs/dbraw/zinc/65/20/83/181652083.db2.gz ARSVSLJJGJZYQU-ZETCQYMHSA-N 1 0 245.120 1.575 40 0 BDABRO Cc1ccc([C@@H](C)O[C@H]2CC[NH2+]C2)cn1 ZINC000252478450 259547747 /nfs/dbraw/zinc/54/77/47/259547747.db2.gz AMQJQFCZDRKDBV-PWSUYJOCSA-N 1 0 206.289 1.830 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000040434918 373263652 /nfs/dbraw/zinc/26/36/52/373263652.db2.gz PMQZMAZMQPLHRI-SNVBAGLBSA-N 1 0 225.723 1.658 40 0 BDABRO O=C(N[C@H]1C[NH2+]C[C@@H]1F)OCc1ccccc1 ZINC000083317143 182343008 /nfs/dbraw/zinc/34/30/08/182343008.db2.gz KZWUUEWPRQZDNF-QWRGUYRKSA-N 1 0 238.262 1.223 40 0 BDABRO O=c1c([C@H]2CCC[NH2+]2)cccn1C1CC1 ZINC000096510367 182985991 /nfs/dbraw/zinc/98/59/91/182985991.db2.gz WZVVYOLTNOYSGL-LLVKDONJSA-N 1 0 204.273 1.608 40 0 BDABRO OC1(c2ccc3c(c2)OCO3)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000013561647 183022918 /nfs/dbraw/zinc/02/29/18/183022918.db2.gz JPDMMIBUWYMREZ-BVUQATHDSA-N 1 0 247.294 1.517 40 0 BDABRO OC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000041215099 183114406 /nfs/dbraw/zinc/11/44/06/183114406.db2.gz HHZLWFMZJAHOPV-LBPRGKRZSA-N 1 0 206.289 1.601 40 0 BDABRO OCCn1c2ccccc2nc1[C@H]1CCC[NH2+]1 ZINC000037900709 183102994 /nfs/dbraw/zinc/10/29/94/183102994.db2.gz RSOBAXZNTAFAPI-LLVKDONJSA-N 1 0 231.299 1.453 40 0 BDABRO OC[C@@]1(c2ccccc2)CCC[NH2+]CC1 ZINC000001593280 183135679 /nfs/dbraw/zinc/13/56/79/183135679.db2.gz RICGNGUTQWPGLV-CYBMUJFWSA-N 1 0 205.301 1.690 40 0 BDABRO O[C@@]1(c2ccc(C(F)(F)F)cc2)CC[NH2+]C1 ZINC000006093240 183218381 /nfs/dbraw/zinc/21/83/81/183218381.db2.gz YEOWRYUFQAXJOT-JTQLQIEISA-N 1 0 231.217 1.886 40 0 BDABRO c1cc(C2C[NH+](C3CCCC3)C2)ncn1 ZINC000072381172 183337168 /nfs/dbraw/zinc/33/71/68/183337168.db2.gz MNPYYFSEODQCGV-UHFFFAOYSA-N 1 0 203.289 1.818 40 0 BDABRO CCCNC(=O)NCCC[NH+]1CCCC1 ZINC000135819289 169236250 /nfs/dbraw/zinc/23/62/50/169236250.db2.gz LBCVXQZPGQPQAU-UHFFFAOYSA-N 1 0 213.325 1.182 40 0 BDABRO c1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)nc1 ZINC000019402988 183382450 /nfs/dbraw/zinc/38/24/50/183382450.db2.gz SVYZNJWLLXPIOM-SECBINFHSA-N 1 0 230.271 1.599 40 0 BDABRO c1nc([C@H]2CCC[NH2+]C2)n(-c2ccccn2)n1 ZINC000096524347 183388212 /nfs/dbraw/zinc/38/82/12/183388212.db2.gz KLOAWGSCIWMRFQ-JTQLQIEISA-N 1 0 229.287 1.129 40 0 BDABRO c1ccc(C2C[n+]3ccccc3N=N2)cc1 ZINC000005119143 183389445 /nfs/dbraw/zinc/38/94/45/183389445.db2.gz JGJCQHODPYSQEG-UHFFFAOYSA-O 1 0 210.260 1.804 40 0 BDABRO CCC[NH2+]C[C@H](O)COCc1ccco1 ZINC000036948924 169263120 /nfs/dbraw/zinc/26/31/20/169263120.db2.gz LAZUWYJKXHHJMZ-JTQLQIEISA-N 1 0 213.277 1.157 40 0 BDABRO c1ccc(N[C@H]2COC3(C2)CC[NH2+]CC3)nc1 ZINC000306140977 183418517 /nfs/dbraw/zinc/41/85/17/183418517.db2.gz VICHWBFYSUMIEL-LLVKDONJSA-N 1 0 233.315 1.405 40 0 BDABRO CCCn1cc(C2(OC)CC[NH2+]CC2)cn1 ZINC000096525696 169616862 /nfs/dbraw/zinc/61/68/62/169616862.db2.gz JANDTJNWEGQSJZ-UHFFFAOYSA-N 1 0 223.320 1.518 40 0 BDABRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)[C@@H](CCO)C[NH2+]1 ZINC000066055294 383845385 /nfs/dbraw/zinc/84/53/85/383845385.db2.gz XNKLPUQQLCCQIQ-VWYCJHECSA-N 1 0 243.347 1.325 40 0 BDABRO CN(Cc1ccncc1)C[C@H]1CCC[NH2+]1 ZINC000036776479 383909407 /nfs/dbraw/zinc/90/94/07/383909407.db2.gz PWLURDIYQNTCNW-GFCCVEGCSA-N 1 0 205.305 1.265 40 0 BDABRO CN(Cc1c(F)cccc1Cl)C(=O)C[NH3+] ZINC000037493510 383883490 /nfs/dbraw/zinc/88/34/90/383883490.db2.gz WBJAQAATIAVBBQ-UHFFFAOYSA-N 1 0 230.670 1.396 40 0 BDABRO c1cnc(Nc2cncc([C@@H]3CCC[NH2+]3)n2)nc1 ZINC000072376504 384034826 /nfs/dbraw/zinc/03/48/26/384034826.db2.gz SPXIQGZQOUCNGJ-VIFPVBQESA-N 1 0 242.286 1.435 40 0 BDABRO COC(=O)[C@H]1C[C@@H](C)[N@@H+]1C1CCCCC1 ZINC000005464837 384114077 /nfs/dbraw/zinc/11/40/77/384114077.db2.gz WDIDDUQBKWESQH-MWLCHTKSSA-N 1 0 211.305 1.955 40 0 BDABRO CN(CCO)C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079393487 384133642 /nfs/dbraw/zinc/13/36/42/384133642.db2.gz TUQQZFCXMSRXLT-HNNXBMFYSA-N 1 0 248.370 1.575 40 0 BDABRO CC(=O)N1CCCC[C@H]1CN(CC[NH3+])C(C)C ZINC000079405664 384137281 /nfs/dbraw/zinc/13/72/81/384137281.db2.gz HLJYOUKTESSKJS-ZDUSSCGKSA-N 1 0 241.379 1.057 40 0 BDABRO CC(C)N(C(=O)[C@H](C)[NH3+])[C@H](C)c1cnccn1 ZINC000079435812 384147044 /nfs/dbraw/zinc/14/70/44/384147044.db2.gz AAXWEXJSOYAKJL-VHSXEESVSA-N 1 0 236.319 1.122 40 0 BDABRO CN(c1cc(NC2CC2)ncn1)[C@H]1CCC[NH2+]C1 ZINC000079439546 384147085 /nfs/dbraw/zinc/14/70/85/384147085.db2.gz CHCAJYBKVMGBSL-NSHDSACASA-N 1 0 247.346 1.239 40 0 BDABRO CN(C)CC(C[NH+](C)C)[C@@H](O)c1ccccc1 ZINC000006371917 384151453 /nfs/dbraw/zinc/15/14/53/384151453.db2.gz SQIRUSMYBMFOTE-AWEZNQCLSA-N 1 0 236.359 1.459 40 0 BDABRO CC(=O)N(C[C@H]1CCCC[N@@H+]1CCO)C(C)C ZINC000079416522 384139826 /nfs/dbraw/zinc/13/98/26/384139826.db2.gz YHATVSHLKLEILE-CYBMUJFWSA-N 1 0 242.363 1.090 40 0 BDABRO CC(C)N(Cc1cccc(F)c1)C(=O)[C@H](C)[NH3+] ZINC000079420555 384142197 /nfs/dbraw/zinc/14/21/97/384142197.db2.gz XJCITLWRUOYODL-JTQLQIEISA-N 1 0 238.306 1.910 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1ccccn1 ZINC000079421834 384143824 /nfs/dbraw/zinc/14/38/24/384143824.db2.gz HBOFJJLLTRGMQH-JQWIXIFHSA-N 1 0 235.331 1.584 40 0 BDABRO CC(C)[N@H+](C)C[C@@H]1CCCCN1CCO ZINC000079418496 384144610 /nfs/dbraw/zinc/14/46/10/384144610.db2.gz OUVBLQVROAHJLI-LBPRGKRZSA-N 1 0 214.353 1.173 40 0 BDABRO Cc1nc(Br)ccc1C[NH3+] ZINC000072223992 384201795 /nfs/dbraw/zinc/20/17/95/384201795.db2.gz YQDRTXISSOUFNK-UHFFFAOYSA-N 1 0 201.067 1.611 40 0 BDABRO c1cn(-c2cnc([C@H]3CCC[NH2+]3)cn2)cn1 ZINC000072386548 384220094 /nfs/dbraw/zinc/22/00/94/384220094.db2.gz BINMHJUBWYOPJE-SECBINFHSA-N 1 0 215.260 1.087 40 0 BDABRO c1cncc(-c2cncc([C@H]3CCC[NH2+]3)n2)c1 ZINC000072386804 384220357 /nfs/dbraw/zinc/22/03/57/384220357.db2.gz FJKVJEUNENHKFL-LLVKDONJSA-N 1 0 226.283 1.963 40 0 BDABRO c1ncc(N2CCCC2)nc1[C@@H]1CCC[NH2+]1 ZINC000072386376 384220635 /nfs/dbraw/zinc/22/06/35/384220635.db2.gz UYNMMWKCXXXCEQ-JTQLQIEISA-N 1 0 218.304 1.501 40 0 BDABRO c1cncc(-c2n[nH]c([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000012114033 384308525 /nfs/dbraw/zinc/30/85/25/384308525.db2.gz KHBKSNQUUZMONT-SNVBAGLBSA-N 1 0 229.287 1.334 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccsc1 ZINC000095942464 384416688 /nfs/dbraw/zinc/41/66/88/384416688.db2.gz SKHDMTAEEVBFQP-RKDXNWHRSA-N 1 0 211.286 1.224 40 0 BDABRO [NH3+]CCCc1cncc(C(F)(F)F)c1 ZINC000096032007 384420785 /nfs/dbraw/zinc/42/07/85/384420785.db2.gz NPJBHZGDPRPTRV-UHFFFAOYSA-N 1 0 204.195 1.992 40 0 BDABRO Cc1cccc(-c2nnc([C@@H](C)[NH3+])[nH]2)c1 ZINC000061843924 384383444 /nfs/dbraw/zinc/38/34/44/384383444.db2.gz KFMTYFZFDZWYFQ-MRVPVSSYSA-N 1 0 202.261 1.800 40 0 BDABRO O=C(c1ccncc1)N1CC[C@@]12CCC[NH2+]C2 ZINC000096078023 384431374 /nfs/dbraw/zinc/43/13/74/384431374.db2.gz KJPKRKKECMTOSP-CYBMUJFWSA-N 1 0 231.299 1.050 40 0 BDABRO c1cncc(CO[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000096073603 384431800 /nfs/dbraw/zinc/43/18/00/384431800.db2.gz AQWHBDCMNQJVNJ-UONOGXRCSA-N 1 0 248.326 1.509 40 0 BDABRO c1ncc([C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000096073489 384432284 /nfs/dbraw/zinc/43/22/84/384432284.db2.gz RSQCPJYHNUVXBA-JQWIXIFHSA-N 1 0 219.288 1.103 40 0 BDABRO COC[C@]12CCCO[C@@H]1CC[N@H+](CC1CC1)C2 ZINC000096056768 384432471 /nfs/dbraw/zinc/43/24/71/384432471.db2.gz UDHXMYVILOGCFL-ZIAGYGMSSA-N 1 0 239.359 1.914 40 0 BDABRO [NH3+][C@@]12C[C@@H]1CN(C(=O)Nc1cccc(F)c1)C2 ZINC000096082176 384434062 /nfs/dbraw/zinc/43/40/62/384434062.db2.gz CVFJNSUSSZFAFJ-PRHODGIISA-N 1 0 235.262 1.391 40 0 BDABRO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](CC)C[C@@H]32)C(=O)N1C ZINC000096100698 384435409 /nfs/dbraw/zinc/43/54/09/384435409.db2.gz HLYYBHZLSFLRIZ-UHIISALHSA-N 1 0 249.358 1.367 40 0 BDABRO Cc1ccc(C[NH+]2CCC3(CN(C)C3=O)CC2)o1 ZINC000096202797 384441819 /nfs/dbraw/zinc/44/18/19/384441819.db2.gz IFPZCXMQUYTPCK-UHFFFAOYSA-N 1 0 248.326 1.642 40 0 BDABRO O=C1NCC[C@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096223787 384443530 /nfs/dbraw/zinc/44/35/30/384443530.db2.gz VFEGKQAGVQMSTH-ZDUSSCGKSA-N 1 0 234.299 1.382 40 0 BDABRO COC(=O)c1ccc2c(C[NH3+])c[nH]c2c1 ZINC000085224562 384511712 /nfs/dbraw/zinc/51/17/12/384511712.db2.gz AWFGKILIWDEBOJ-UHFFFAOYSA-N 1 0 204.229 1.413 40 0 BDABRO [NH3+]C[C@@H](O)CSCc1ccc(Cl)cc1 ZINC000002045766 384503990 /nfs/dbraw/zinc/50/39/90/384503990.db2.gz LENRNEIYYCBCBL-SNVBAGLBSA-N 1 0 231.748 1.893 40 0 in-vitro BDABRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000100040759 384610239 /nfs/dbraw/zinc/61/02/39/384610239.db2.gz LNTDJAQQPGLCGB-QWHCGFSZSA-N 1 0 249.310 1.042 40 0 BDABRO [NH3+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000020216671 384598819 /nfs/dbraw/zinc/59/88/19/384598819.db2.gz QGRKTIWYKAIGEL-SSDOTTSWSA-N 1 0 206.072 1.986 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)CC1 ZINC000100809627 384654651 /nfs/dbraw/zinc/65/46/51/384654651.db2.gz TXEBCWVHHRLNBX-TXEJJXNPSA-N 1 0 236.290 1.825 40 0 BDABRO C[NH+](C)CCNC(=O)c1ccc(Cl)cc1F ZINC000052538983 384736789 /nfs/dbraw/zinc/73/67/89/384736789.db2.gz GRLHUENBMZUJCW-UHFFFAOYSA-N 1 0 244.697 1.771 40 0 BDABRO CCCc1noc(CSC(N)=[NH2+])n1 ZINC000083588870 384784199 /nfs/dbraw/zinc/78/41/99/384784199.db2.gz VKTHEWJWFGTIBN-UHFFFAOYSA-N 1 0 200.267 1.149 40 0 BDABRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)OC(C)(C)C ZINC000084237388 384852988 /nfs/dbraw/zinc/85/29/88/384852988.db2.gz FIZGQOZZMQMOQI-SFYZADRCSA-N 1 0 200.282 1.262 40 0 BDABRO CN(Cc1ccc(Cl)nc1)[C@H]1CCC[NH2+]C1 ZINC000072203356 385053651 /nfs/dbraw/zinc/05/36/51/385053651.db2.gz SJZYYEMXHFHPNN-NSHDSACASA-N 1 0 239.750 1.919 40 0 BDABRO Fc1ccc(CNC[C@H]2CCC[NH2+]2)cc1 ZINC000072203807 385059640 /nfs/dbraw/zinc/05/96/40/385059640.db2.gz KFWLYOJLJJSZDN-GFCCVEGCSA-N 1 0 208.280 1.667 40 0 BDABRO Clc1cccc2onc(N3CC[NH2+]CC3)c21 ZINC000072209006 385063943 /nfs/dbraw/zinc/06/39/43/385063943.db2.gz QTMJOGJBCTZOPB-UHFFFAOYSA-N 1 0 237.690 1.891 40 0 BDABRO C[NH+](C)CCNC(=O)/C=C/c1ccccc1 ZINC000005508996 385038754 /nfs/dbraw/zinc/03/87/54/385038754.db2.gz INRBQNGAURYVRY-CMDGGOBGSA-N 1 0 218.300 1.378 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nnc(-c2ccc(O)cc2)[nH]1 ZINC000095534723 385045342 /nfs/dbraw/zinc/04/53/42/385045342.db2.gz QSOSFNSPFBGXRU-SNVBAGLBSA-N 1 0 232.287 1.833 40 0 BDABRO C[C@@H]([NH3+])c1nc(COc2ccc(F)cc2)n[nH]1 ZINC000095534657 385047189 /nfs/dbraw/zinc/04/71/89/385047189.db2.gz MDNXJBKRXUJEIO-SSDOTTSWSA-N 1 0 236.250 1.543 40 0 BDABRO CC[NH+]1CCN(c2cc(C)c(CCO)cn2)CC1 ZINC000072223642 385115694 /nfs/dbraw/zinc/11/56/94/385115694.db2.gz DIGOFEQNDJLERY-UHFFFAOYSA-N 1 0 249.358 1.067 40 0 BDABRO Cc1nc(N2CC[NH+](C)CC2)ccc1[C@H](C)O ZINC000072224647 385118727 /nfs/dbraw/zinc/11/87/27/385118727.db2.gz GZKPTESVGFGWDM-NSHDSACASA-N 1 0 235.331 1.195 40 0 BDABRO Cc1nc(N2CCOCC2)ccc1[C@H]1CCC[NH2+]1 ZINC000072219608 385106389 /nfs/dbraw/zinc/10/63/89/385106389.db2.gz ZHNBGLXBAROUFO-CYBMUJFWSA-N 1 0 247.342 1.651 40 0 BDABRO C[S@@](=O)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000044138774 385197500 /nfs/dbraw/zinc/19/75/00/385197500.db2.gz WJGBOLJHUKMNLC-HNNXBMFYSA-N 1 0 223.341 1.891 40 0 BDABRO Cc1ccc([C@@H](O)C2(C[NH3+])CCOCC2)cc1 ZINC000085395881 385159730 /nfs/dbraw/zinc/15/97/30/385159730.db2.gz TUWIGJJKEWPAMV-CYBMUJFWSA-N 1 0 235.327 1.784 40 0 BDABRO NNc1[nH+]cnc2c1cnn2-c1cccc(F)c1 ZINC000085398060 385165104 /nfs/dbraw/zinc/16/51/04/385165104.db2.gz YWUXGFHZMYAIRJ-UHFFFAOYSA-N 1 0 244.233 1.240 40 0 BDABRO [NH3+]C1CCN(c2cc3c(nn2)CCCCC3)CC1 ZINC000096516140 385258007 /nfs/dbraw/zinc/25/80/07/385258007.db2.gz DEFAGRSRFUEPFM-UHFFFAOYSA-N 1 0 246.358 1.673 40 0 BDABRO CCCCN(CC)C(=O)CN1CCC[C@H]([NH3+])C1 ZINC000346094481 385321281 /nfs/dbraw/zinc/32/12/81/385321281.db2.gz PAHVBPMZYOHCDM-LBPRGKRZSA-N 1 0 241.379 1.058 40 0 BDABRO CCN1c2ccc(F)cc2C(=O)N[C@@]12CC[NH2+]C2 ZINC000096516624 385262634 /nfs/dbraw/zinc/26/26/34/385262634.db2.gz PSTIEIMGKQTHBU-ZDUSSCGKSA-N 1 0 249.289 1.085 40 0 BDABRO Cc1cc(-c2csc(C[NH3+])n2)n(C)n1 ZINC000096528239 385274836 /nfs/dbraw/zinc/27/48/36/385274836.db2.gz VJVHVOMSCIOEHM-UHFFFAOYSA-N 1 0 208.290 1.311 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1cccc(F)c1 ZINC000096524837 385275293 /nfs/dbraw/zinc/27/52/93/385275293.db2.gz YVPJRVCTYOFYEN-GZMMTYOYSA-N 1 0 245.319 1.649 40 0 BDABRO C[C@H]1CCc2nnc(N3CCC([NH3+])CC3)cc2C1 ZINC000096530197 385285009 /nfs/dbraw/zinc/28/50/09/385285009.db2.gz RBYXHGVRHUGPGW-JTQLQIEISA-N 1 0 246.358 1.529 40 0 BDABRO c1ccc2c(c1)C[NH2+]C[C@H]2N1CCCC1 ZINC000020270306 385368489 /nfs/dbraw/zinc/36/84/89/385368489.db2.gz AEOIWUMKLYANOM-CYBMUJFWSA-N 1 0 202.301 1.927 40 0 BDABRO COC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000328579388 385488906 /nfs/dbraw/zinc/48/89/06/385488906.db2.gz DZVXEVOJPLGODZ-UHFFFAOYSA-N 1 0 240.328 1.705 40 0 BDABRO O=C1N(Cc2ccncc2)CC[C@]12CCC[NH2+]C2 ZINC000059711661 385648333 /nfs/dbraw/zinc/64/83/33/385648333.db2.gz CIMSLEQCPCLVPW-AWEZNQCLSA-N 1 0 245.326 1.184 40 0 BDABRO CNc1ncc(C[NH2+]C2CCCCC2)cn1 ZINC000062717427 385713303 /nfs/dbraw/zinc/71/33/03/385713303.db2.gz WOLYNOAERFJVIE-UHFFFAOYSA-N 1 0 220.320 1.941 40 0 BDABRO Nc1ncc(C[NH2+]CCc2ccc(F)cc2)cn1 ZINC000062717378 385713696 /nfs/dbraw/zinc/71/36/96/385713696.db2.gz QDKZBPXRYTXNOC-UHFFFAOYSA-N 1 0 246.289 1.530 40 0 BDABRO CNc1ncc(C[NH2+]CCc2ccccc2)cn1 ZINC000062717438 385715375 /nfs/dbraw/zinc/71/53/75/385715375.db2.gz NIEVAXGASVLAIP-UHFFFAOYSA-N 1 0 242.326 1.851 40 0 BDABRO CN1CCC([N@@H+]2CCC[C@@H]2c2ccncn2)CC1 ZINC000257242036 385754996 /nfs/dbraw/zinc/75/49/96/385754996.db2.gz IATSKTODWFLPPM-CQSZACIVSA-N 1 0 246.358 1.708 40 0 BDABRO c1cn(-c2ccc(C[C@H]3CC[NH2+]C3)cn2)cn1 ZINC000257268164 385758059 /nfs/dbraw/zinc/75/80/59/385758059.db2.gz MKMMOANZWPIPLY-GFCCVEGCSA-N 1 0 228.299 1.419 40 0 BDABRO c1cnc(Nc2nccnc2[C@H]2CCC[NH2+]2)cn1 ZINC000257294038 385761935 /nfs/dbraw/zinc/76/19/35/385761935.db2.gz QSEGUDDOSXMQAY-SECBINFHSA-N 1 0 242.286 1.435 40 0 BDABRO CS(=O)(=O)[C@@H]1[C@@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000218422552 385891707 /nfs/dbraw/zinc/89/17/07/385891707.db2.gz IDKGHMDCFUPBRN-GUBZILKMSA-N 1 0 245.731 1.178 40 0 BDABRO CCOc1cc(C=O)ccc1OCC(N)=[NH2+] ZINC000217371181 385881689 /nfs/dbraw/zinc/88/16/89/385881689.db2.gz YSGBMFOYOKKSSP-UHFFFAOYSA-N 1 0 222.244 1.213 40 0 BDABRO c1ccc(C[C@@H]2[NH2+]CC[C@H]2N2CCOCC2)cc1 ZINC000306130140 385992071 /nfs/dbraw/zinc/99/20/71/385992071.db2.gz IXJKWPQYMQNVKM-LSDHHAIUSA-N 1 0 246.354 1.292 40 0 BDABRO O=C1CCC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)N1 ZINC000219773296 385944512 /nfs/dbraw/zinc/94/45/12/385944512.db2.gz RVRIOCFQMTYOCH-ZIAGYGMSSA-N 1 0 244.338 1.930 40 0 BDABRO FC(F)[C@@H]1N(Cc2ccccc2)CC12C[NH2+]C2 ZINC000306145634 385994395 /nfs/dbraw/zinc/99/43/95/385994395.db2.gz LDTFMZVKFFMKIS-NSHDSACASA-N 1 0 238.281 1.726 40 0 BDABRO [NH3+]C[C@H](c1ccncc1)N1CCCCC1 ZINC000032021187 385970836 /nfs/dbraw/zinc/97/08/36/385970836.db2.gz UVTPSVJPZZHEDH-GFCCVEGCSA-N 1 0 205.305 1.567 40 0 BDABRO CC(C)(C)OC(=O)N1CC2(C1)CSCC[NH2+]2 ZINC000306145802 385994519 /nfs/dbraw/zinc/99/45/19/385994519.db2.gz QPGUYHACBDJHJP-UHFFFAOYSA-N 1 0 244.360 1.312 40 0 BDABRO c1ccc2nc(NC3CC[NH2+]CC3)cnc2c1 ZINC000044029860 386141277 /nfs/dbraw/zinc/14/12/77/386141277.db2.gz NFOHSHPGUXFSPY-UHFFFAOYSA-N 1 0 228.299 1.794 40 0 BDABRO [NH3+]CCc1c[nH]c(Cc2ccccc2)n1 ZINC000040503924 386209721 /nfs/dbraw/zinc/20/97/21/386209721.db2.gz FNAMDTWUDIOUON-UHFFFAOYSA-N 1 0 201.273 1.502 40 0 BDABRO Nc1c(Br)cnn1-c1cc[nH+]cc1 ZINC000087418735 386267734 /nfs/dbraw/zinc/26/77/34/386267734.db2.gz XYWSUXMYIPBLJP-UHFFFAOYSA-N 1 0 239.076 1.612 40 0 BDABRO [NH3+]Cc1ccc2c(c1)ncn2CC1CC1 ZINC000328579406 386527418 /nfs/dbraw/zinc/52/74/18/386527418.db2.gz GDHOMMARZXVXLX-UHFFFAOYSA-N 1 0 201.273 1.905 40 0 BDABRO FC(F)(F)c1cc(O[C@H]2CC[NH2+]C2)ncn1 ZINC000098213944 386579661 /nfs/dbraw/zinc/57/96/61/386579661.db2.gz DBWYKTDGFGKBKK-LURJTMIESA-N 1 0 233.193 1.236 40 0 BDABRO [NH3+]Cc1ccc2nnc(-c3ccccc3F)n2c1 ZINC000098214132 386583007 /nfs/dbraw/zinc/58/30/07/386583007.db2.gz IMQGYSPOZXMBJG-UHFFFAOYSA-N 1 0 242.257 1.994 40 0 BDABRO CO[C@H]1Cn2nccc2CN(Cc2ccco2)C1 ZINC000247830421 386734137 /nfs/dbraw/zinc/73/41/37/386734137.db2.gz HLHPYJGJBGTTLB-CYBMUJFWSA-N 1 0 247.298 1.507 40 0 BDABRO CCn1cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cn1 ZINC000575410735 387013736 /nfs/dbraw/zinc/01/37/36/387013736.db2.gz DHPBELKKNBRUJI-JTQLQIEISA-N 1 0 247.302 1.768 40 0 BDABRO CNCc1nc([C@@H]2CCCSCC2)no1 ZINC000575415089 387022333 /nfs/dbraw/zinc/02/23/33/387022333.db2.gz PXRROLBUFLPUHR-MRVPVSSYSA-N 1 0 227.333 1.790 40 0 BDABRO O=C1CCC2(CC[NH2+]CC2)N1Cc1ccccc1 ZINC000096228319 387022909 /nfs/dbraw/zinc/02/29/09/387022909.db2.gz FRODHKXRHGRJKP-UHFFFAOYSA-N 1 0 244.338 1.931 40 0 BDABRO c1cncc(OCc2noc3c2C[NH2+]CC3)c1 ZINC000096260119 387025951 /nfs/dbraw/zinc/02/59/51/387025951.db2.gz YGXCHQKIMWYLBA-UHFFFAOYSA-N 1 0 231.255 1.294 40 0 BDABRO O=S(=O)(C[n+]1ccccc1)c1ccccc1 ZINC000005485282 387499310 /nfs/dbraw/zinc/49/93/10/387499310.db2.gz QCJSDGQTNDLADB-UHFFFAOYSA-N 1 0 234.300 1.406 40 0 BDABRO Cc1nn(C)cc1C[NH2+]Cc1cn(C)nc1C ZINC000020349855 387850089 /nfs/dbraw/zinc/85/00/89/387850089.db2.gz MECZJZHSQOOOMO-UHFFFAOYSA-N 1 0 233.319 1.060 40 0 BDABRO CCCn1cc(C[NH2+]CCCOC)cn1 ZINC000116912060 387851156 /nfs/dbraw/zinc/85/11/56/387851156.db2.gz BBATUFHTRXGDFG-UHFFFAOYSA-N 1 0 211.309 1.419 40 0 BDABRO CC[C@@H](C)n1nccc1C[NH2+]CCCOC ZINC000256050767 387858663 /nfs/dbraw/zinc/85/86/63/387858663.db2.gz GKSDFMKBLPZCHK-LLVKDONJSA-N 1 0 225.336 1.980 40 0 BDABRO CC(C)n1nccc1C[NH2+]C[C@H]1CCCO1 ZINC000256051018 387859416 /nfs/dbraw/zinc/85/94/16/387859416.db2.gz HJWHFKJKQNNZSY-GFCCVEGCSA-N 1 0 223.320 1.733 40 0 BDABRO Cc1cnn(C)c1C[NH2+]CCCOC(C)C ZINC000256052872 387861295 /nfs/dbraw/zinc/86/12/95/387861295.db2.gz OZWVWPZIHQJJKL-UHFFFAOYSA-N 1 0 225.336 1.633 40 0 BDABRO Cn1cccc1C[NH2+]Cc1ccnn1C(F)F ZINC000256054321 387862140 /nfs/dbraw/zinc/86/21/40/387862140.db2.gz VVYYVLMBLWSZFB-UHFFFAOYSA-N 1 0 240.257 1.907 40 0 BDABRO Cc1c(C[NH2+]CCN(C)C)cnn1C(C)C ZINC000256054172 387862265 /nfs/dbraw/zinc/86/22/65/387862265.db2.gz VEVDEGOLODBZLW-UHFFFAOYSA-N 1 0 224.352 1.424 40 0 BDABRO CN[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000050269864 387955246 /nfs/dbraw/zinc/95/52/46/387955246.db2.gz OMTKJAYXDQFZKH-VIFPVBQESA-N 1 0 247.111 1.807 40 0 BDABRO CN[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000050269827 387955377 /nfs/dbraw/zinc/95/53/77/387955377.db2.gz SMZZXIQFAQJFDI-SECBINFHSA-N 1 0 229.121 1.668 40 0 BDABRO Clc1ccc(C[C@H]2C[NH2+]CCO2)cc1 ZINC000059470845 388397652 /nfs/dbraw/zinc/39/76/52/388397652.db2.gz SPUGFTAFIPYATD-NSHDSACASA-N 1 0 211.692 1.871 40 0 BDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@H]1c1ccccc1 ZINC000242548899 388399710 /nfs/dbraw/zinc/39/97/10/388399710.db2.gz MAIWNDTZASVJOM-QJPTWQEYSA-N 1 0 239.340 1.162 40 0 BDABRO [NH3+]C[C@H]1C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218002099 388575752 /nfs/dbraw/zinc/57/57/52/388575752.db2.gz WRUSKYLHURPMJY-GMSGAONNSA-N 1 0 245.731 1.461 40 0 BDABRO CCOC[C@@H]1C[NH2+]Cc2c1cnn2CC1CC1 ZINC000306142156 388628852 /nfs/dbraw/zinc/62/88/52/388628852.db2.gz WRPPYGQZIIULAY-NSHDSACASA-N 1 0 235.331 1.516 40 0 BDABRO COC(=O)C1([NH3+])C2CC3CC(C2)CC1C3 ZINC000055026639 388651897 /nfs/dbraw/zinc/65/18/97/388651897.db2.gz PYOLCEFLWZRKCO-UHFFFAOYSA-N 1 0 209.289 1.313 40 0 BDABRO CSCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C)C1 ZINC000062725423 388655694 /nfs/dbraw/zinc/65/56/94/388655694.db2.gz SBQDBDHESJQRNU-VHSXEESVSA-N 1 0 230.377 1.325 40 0 BDABRO [NH3+][C@H]1CCCN(C(=O)c2cccnc2Cl)C1 ZINC000079438682 388696046 /nfs/dbraw/zinc/69/60/46/388696046.db2.gz RBECGOTVFUMNHI-QMMMGPOBSA-N 1 0 239.706 1.298 40 0 BDABRO [NH3+]CC1CCN(c2cc(NC3CC3)ncn2)CC1 ZINC000079439564 388696190 /nfs/dbraw/zinc/69/61/90/388696190.db2.gz OMXNCOHTXWWCLB-UHFFFAOYSA-N 1 0 247.346 1.226 40 0 BDABRO CNc1nc([C@H]2CC[NH2+]C2)c2sccn12 ZINC000257278032 388698393 /nfs/dbraw/zinc/69/83/93/388698393.db2.gz OAMIVFGPMCFYND-ZETCQYMHSA-N 1 0 222.317 1.514 40 0 BDABRO Fc1cccc(C[C@H]2C[NH2+]CCOC2)c1 ZINC000257266962 388698722 /nfs/dbraw/zinc/69/87/22/388698722.db2.gz MFIPLAZAXSURMD-NSHDSACASA-N 1 0 209.264 1.604 40 0 BDABRO c1coc(CN2CC[NH2+][C@H]3CCC[C@@H]32)c1 ZINC000225715155 388840844 /nfs/dbraw/zinc/84/08/44/388840844.db2.gz MTDIBQMZBJQULT-RYUDHWBXSA-N 1 0 206.289 1.606 40 0 BDABRO CCOCCCN1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225712283 388840899 /nfs/dbraw/zinc/84/08/99/388840899.db2.gz KZKNJYKAMVANNE-OLZOCXBDSA-N 1 0 226.364 1.629 40 0 BDABRO COCc1cccc(N2CC[NH2+]CC2)c1 ZINC000042322410 132350906 /nfs/dbraw/zinc/35/09/06/132350906.db2.gz AWNWKCOFCHPGJC-UHFFFAOYSA-N 1 0 206.289 1.243 40 0 BDABRO Cc1cc(N2CCC([NH3+])CC2)nc2nn(C)cc21 ZINC000012398918 132333338 /nfs/dbraw/zinc/33/33/38/132333338.db2.gz IRKMWXOJVVNCRO-UHFFFAOYSA-N 1 0 245.330 1.204 40 0 BDABRO Oc1ccc(N2CC[NH2+]CC2)cc1Cl ZINC000038812641 132346315 /nfs/dbraw/zinc/34/63/15/132346315.db2.gz FXECOYYRPDGOQB-UHFFFAOYSA-N 1 0 212.680 1.455 40 0 in-vitro BDABRO CC(C)C(=O)N1C[C@@H]2C[NH2+]C[C@H]2c2ccccc21 ZINC000096251753 132431456 /nfs/dbraw/zinc/43/14/56/132431456.db2.gz BRMNWMXIIKBUCV-WCQYABFASA-N 1 0 244.338 1.992 40 0 BDABRO c1cnc(N2CCC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000257697673 132458064 /nfs/dbraw/zinc/45/80/64/132458064.db2.gz KOXIQDDHDRTARB-GFCCVEGCSA-N 1 0 218.304 1.057 40 0 BDABRO CC(C)CCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082317747 166853154 /nfs/dbraw/zinc/85/31/54/166853154.db2.gz ZLGQVLJYRKEMHU-NSHDSACASA-N 1 0 212.337 1.491 40 0 BDABRO CC(C)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000010436387 167119149 /nfs/dbraw/zinc/11/91/49/167119149.db2.gz NNCHEGUGRXNJRD-UHFFFAOYSA-N 1 0 207.273 1.956 40 0 BDABRO C[C@H](O)C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000248321713 410172748 /nfs/dbraw/zinc/17/27/48/410172748.db2.gz VAZXXAVHCHRHJJ-AAEUAGOBSA-N 1 0 220.316 1.989 40 0 biogenic,in-vitro BDABRO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]CC12CCC2 ZINC000307142415 166662164 /nfs/dbraw/zinc/66/21/64/166662164.db2.gz JSQIERZWKALRIT-JTQLQIEISA-N 1 0 240.347 1.901 40 0 BDABRO CCCC[N@H+](C)Cc1cc(N)nn1CC ZINC000408716663 410715031 /nfs/dbraw/zinc/71/50/31/410715031.db2.gz PIQWXDXWPWFFFQ-UHFFFAOYSA-N 1 0 210.325 1.717 40 0 BDABRO CC(C)C(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426539 166707633 /nfs/dbraw/zinc/70/76/33/166707633.db2.gz NHJPGOCEGTUKLG-ZDUSSCGKSA-N 1 0 224.348 1.635 40 0 BDABRO CC(C)[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC000096044284 167116659 /nfs/dbraw/zinc/11/66/59/167116659.db2.gz WQSLGJJXYCUCKI-SNVBAGLBSA-N 1 0 209.293 1.032 40 0 BDABRO CCn1nc(N)cc1C[N@@H+]1CCC[C@H](C)C1 ZINC000408716745 411257050 /nfs/dbraw/zinc/25/70/50/411257050.db2.gz QLLRKFOLZWZBKE-JTQLQIEISA-N 1 0 222.336 1.717 40 0 BDABRO CCOC(=O)C[C@H](C(C)C)[NH+]1CCOCC1 ZINC000032599468 170232595 /nfs/dbraw/zinc/23/25/95/170232595.db2.gz NQWCYWVPXINZJV-LLVKDONJSA-N 1 0 229.320 1.296 40 0 BDABRO CCOC(=O)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000033426528 170239088 /nfs/dbraw/zinc/23/90/88/170239088.db2.gz TVFHOMIVTSQARB-GFCCVEGCSA-N 1 0 226.320 1.609 40 0 BDABRO CCOC(=O)[C@H]1CCCCN1C1CC[NH2+]CC1 ZINC000067796539 170279505 /nfs/dbraw/zinc/27/95/05/170279505.db2.gz FXHNJYQAMCFLMU-GFCCVEGCSA-N 1 0 240.347 1.156 40 0 BDABRO CCOC(=O)c1ccc(CCC[NH3+])cc1 ZINC000001593042 170295068 /nfs/dbraw/zinc/29/50/68/170295068.db2.gz BWPKYSTVHYGJAU-UHFFFAOYSA-N 1 0 207.273 1.755 40 0 BDABRO CCOCCC[NH2+]Cc1ccnn1C(C)C ZINC000256053066 170381160 /nfs/dbraw/zinc/38/11/60/170381160.db2.gz PVIQHDBNTQQGKX-UHFFFAOYSA-N 1 0 225.336 1.980 40 0 BDABRO CCOc1ccc(C)cc1CNCC[NH3+] ZINC000095094951 170539748 /nfs/dbraw/zinc/53/97/48/170539748.db2.gz ZSKUBPRGPGBSMB-UHFFFAOYSA-N 1 0 208.305 1.442 40 0 BDABRO CC[C@@H]1[NH2+]CCC[C@]12CCC(=O)N2CCOC ZINC000306128659 171147067 /nfs/dbraw/zinc/14/70/67/171147067.db2.gz HHRCGDMPEFKUFH-AAEUAGOBSA-N 1 0 240.347 1.156 40 0 BDABRO CC[C@H](C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000019395772 171224983 /nfs/dbraw/zinc/22/49/83/171224983.db2.gz NJVQYOMNNOYWHE-ZDUSSCGKSA-N 1 0 232.327 1.612 40 0 BDABRO CC[C@H](C)[C@@H]([NH3+])CN(C)CCc1ccccn1 ZINC000020074327 171372368 /nfs/dbraw/zinc/37/23/68/171372368.db2.gz SDYMBIVUPANRCP-JSGCOSHPSA-N 1 0 235.375 1.929 40 0 BDABRO CCn1c(C)cc(C[NH2+]CCOC)c1C ZINC000086592050 172136348 /nfs/dbraw/zinc/13/63/48/172136348.db2.gz REDFFVOXEMAYMG-UHFFFAOYSA-N 1 0 210.321 1.861 40 0 BDABRO CCn1cc(CN(C)C[C@H]2CCC[NH2+]2)c(C)n1 ZINC000096523705 172162135 /nfs/dbraw/zinc/16/21/35/172162135.db2.gz QVAFMCSSNALYFU-CYBMUJFWSA-N 1 0 236.363 1.395 40 0 BDABRO CCn1cc2c(n1)[C@@H](COC)C[N@@H+](CC1CC1)C2 ZINC000096059895 172199110 /nfs/dbraw/zinc/19/91/10/172199110.db2.gz FWSGVTZVNKTQBV-CYBMUJFWSA-N 1 0 249.358 1.859 40 0 BDABRO CCn1cncc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000013568259 172233432 /nfs/dbraw/zinc/23/34/32/172233432.db2.gz BMAMESFUABBTOQ-GFCCVEGCSA-N 1 0 237.347 1.640 40 0 BDABRO CCn1nc(C(F)(F)F)cc1C[NH2+]C ZINC000072209739 172242444 /nfs/dbraw/zinc/24/24/44/172242444.db2.gz OQMTVEOUKOKJJU-UHFFFAOYSA-N 1 0 207.199 1.641 40 0 BDABRO CCn1ncc(CN(C)C[C@H]2CCC[NH2+]2)c1C ZINC000096523693 172255119 /nfs/dbraw/zinc/25/51/19/172255119.db2.gz VUAZSDHCHYRBKS-CYBMUJFWSA-N 1 0 236.363 1.395 40 0 BDABRO CCn1nccc1C[NH2+]CCCOC(C)C ZINC000162677552 172271377 /nfs/dbraw/zinc/27/13/77/172271377.db2.gz ZNCALACKDCPBTQ-UHFFFAOYSA-N 1 0 225.336 1.808 40 0 BDABRO CCn1nccc1[C@@H](O)C1(C[NH3+])CCC1 ZINC000085396180 172276805 /nfs/dbraw/zinc/27/68/05/172276805.db2.gz XHAKFTZYLXSCOC-SNVBAGLBSA-N 1 0 209.293 1.065 40 0 BDABRO C[NH+](C)CCCNC(=O)C1CCCCC1 ZINC000006125813 172438531 /nfs/dbraw/zinc/43/85/31/172438531.db2.gz PIQBEFQMERAZBK-UHFFFAOYSA-N 1 0 212.337 1.635 40 0 BDABRO C[NH+]1CCC([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000352067573 173000190 /nfs/dbraw/zinc/00/01/90/173000190.db2.gz CYXZAUNTWNCHAB-ZDUSSCGKSA-N 1 0 232.327 1.597 40 0 BDABRO C[NH+]1CCC2(CC1)CC(=O)c1ccc(O)cc1O2 ZINC000225819109 173002071 /nfs/dbraw/zinc/00/20/71/173002071.db2.gz URYHXYNRMIMNCR-UHFFFAOYSA-N 1 0 247.294 1.822 40 0 BDABRO C[N@@H+]1CCC[C@H](C(=O)N2CCc3ccccc32)C1 ZINC000082321795 173039693 /nfs/dbraw/zinc/03/96/93/173039693.db2.gz VDAPXHHTACNXHX-ZDUSSCGKSA-N 1 0 244.338 1.918 40 0 BDABRO C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccncc1F ZINC000096184250 173135258 /nfs/dbraw/zinc/13/52/58/173135258.db2.gz WZRKSNSHXBOGRL-NWDGAFQWSA-N 1 0 249.289 1.139 40 0 BDABRO C[N@@H+]1CCc2nc(NC[C@@H]3CCCO3)ncc2C1 ZINC000049474150 173173084 /nfs/dbraw/zinc/17/30/84/173173084.db2.gz JQZOVODKUHLQKM-NSHDSACASA-N 1 0 248.330 1.055 40 0 BDABRO C[N@H+]1C[C@H]2CN(C(=O)Cc3ccccc3)C[C@H]2C1 ZINC000063527582 173197012 /nfs/dbraw/zinc/19/70/12/173197012.db2.gz ZHSCMOMDLZUXSV-OKILXGFUSA-N 1 0 244.338 1.249 40 0 BDABRO C[N@H+]1[C@@H]2CC[C@H]1CC(Oc1ncccc1N)C2 ZINC000217515043 173207400 /nfs/dbraw/zinc/20/74/00/173207400.db2.gz AQADHDGSLYXBTA-ZACCUICWSA-N 1 0 233.315 1.668 40 0 BDABRO CNC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000217526272 173305659 /nfs/dbraw/zinc/30/56/59/173305659.db2.gz JAHOELAZMQBMSO-QWHCGFSZSA-N 1 0 232.327 1.658 40 0 BDABRO C[NH2+]C[C@@H](O)c1cc(O)ccc1Br ZINC000077284979 173365756 /nfs/dbraw/zinc/36/57/56/173365756.db2.gz SKZKBBVZWIUKHL-SECBINFHSA-N 1 0 246.104 1.408 40 0 in-vitro BDABRO C[NH2+]C[C@@H]1CCCC[C@]1(O)c1cccc(O)c1 ZINC000006452395 173366998 /nfs/dbraw/zinc/36/69/98/173366998.db2.gz CJXNQQLTDXASSR-JSGCOSHPSA-N 1 0 235.327 1.989 40 0 BDABRO C[NH2+]C[C@@H]1C[C@@H]1CN1CCc2ccccc21 ZINC000096509389 173371521 /nfs/dbraw/zinc/37/15/21/173371521.db2.gz YIRZXPHYFPJYHG-QWHCGFSZSA-N 1 0 216.328 1.905 40 0 BDABRO COCCCN(Cc1cccs1)C[C@@H](C)[NH3+] ZINC000096523887 174227158 /nfs/dbraw/zinc/22/71/58/174227158.db2.gz YTEKXFGWTXFFPE-LLVKDONJSA-N 1 0 242.388 1.934 40 0 BDABRO COCCC[NH2+]Cc1cnn(CC(C)C)c1 ZINC000134776986 174248165 /nfs/dbraw/zinc/24/81/65/174248165.db2.gz POUVBLQCAIQXQT-UHFFFAOYSA-N 1 0 225.336 1.665 40 0 BDABRO COCCCn1c(C)[nH+]c2cc(N)ccc21 ZINC000052852424 174266550 /nfs/dbraw/zinc/26/65/50/174266550.db2.gz KMBIUDZTNVDUGZ-UHFFFAOYSA-N 1 0 219.288 1.963 40 0 BDABRO COCC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000072381554 174308870 /nfs/dbraw/zinc/30/88/70/174308870.db2.gz JGVCNWJMZAKSTH-LBPRGKRZSA-N 1 0 220.316 1.907 40 0 BDABRO COCC[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000004969253 174331700 /nfs/dbraw/zinc/33/17/00/174331700.db2.gz HLZQRKRMRYSUIX-PHIMTYICSA-N 1 0 228.336 1.012 40 0 BDABRO COCC[NH2+]CCOc1ccc2c(c1)CCC2 ZINC000041266943 174334013 /nfs/dbraw/zinc/33/40/13/174334013.db2.gz UZTZSNWNSCTXGV-UHFFFAOYSA-N 1 0 235.327 1.790 40 0 BDABRO COCC[NH2+]Cc1ccnn1CC(C)C ZINC000070631795 174335465 /nfs/dbraw/zinc/33/54/65/174335465.db2.gz QQCCQFSQINVSBF-UHFFFAOYSA-N 1 0 211.309 1.275 40 0 BDABRO COc1cc(SC)c(OC)cc1CC[NH3+] ZINC000027298508 175013239 /nfs/dbraw/zinc/01/32/39/175013239.db2.gz UPZMYCMLLQTYEM-UHFFFAOYSA-N 1 0 227.329 1.927 40 0 in-vitro BDABRO COc1cc2c(c(OC)c1OC)CCC[NH2+]C2 ZINC000095097498 175020463 /nfs/dbraw/zinc/02/04/63/175020463.db2.gz HXOBNOVIUWIIPS-UHFFFAOYSA-N 1 0 237.299 1.748 40 0 BDABRO COc1ccc(-c2cc(CC[NH3+])no2)cc1 ZINC000020270383 175031901 /nfs/dbraw/zinc/03/19/01/175031901.db2.gz FCYJDUQLIJODDT-UHFFFAOYSA-N 1 0 218.256 1.851 40 0 BDABRO COc1ccc(-c2nc(CC[NH3+])no2)cc1OC ZINC000008729375 175039926 /nfs/dbraw/zinc/03/99/26/175039926.db2.gz BLMAKLSAKXHZPF-UHFFFAOYSA-N 1 0 249.270 1.255 40 0 BDABRO COc1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC000003182229 175059451 /nfs/dbraw/zinc/05/94/51/175059451.db2.gz UUBJKHYGEWHWTD-UHFFFAOYSA-N 1 0 236.315 1.377 40 0 BDABRO COc1ccc(CC2([NH3+])CCOCC2)cc1 ZINC000016916817 175087997 /nfs/dbraw/zinc/08/79/97/175087997.db2.gz UPOCMKSIMCQBAX-UHFFFAOYSA-N 1 0 221.300 1.746 40 0 BDABRO COc1ccc(COC[C@H](O)C[NH3+])cc1Cl ZINC000095096279 175114281 /nfs/dbraw/zinc/11/42/81/175114281.db2.gz RQUWCFCXVGUHMO-SECBINFHSA-N 1 0 245.706 1.185 40 0 BDABRO COc1ccc(C[C@H](O)C[NH2+]CC(C)C)cc1 ZINC000005962684 175117177 /nfs/dbraw/zinc/11/71/77/175117177.db2.gz XLOXZYAARSINMQ-ZDUSSCGKSA-N 1 0 237.343 1.844 40 0 BDABRO COc1ccc(N2C[C@]3(CC[NH2+]C3)CC2=O)cc1 ZINC000096238970 175140044 /nfs/dbraw/zinc/14/00/44/175140044.db2.gz KAUTWTYZWIJYKM-CQSZACIVSA-N 1 0 246.310 1.412 40 0 BDABRO COc1ccc2c(c1)[C@H]([NH3+])CCN(C)C2 ZINC000096509719 175215908 /nfs/dbraw/zinc/21/59/08/175215908.db2.gz AOPHWVIXVXBXFU-GFCCVEGCSA-N 1 0 206.289 1.531 40 0 BDABRO COc1cccc(NC(=O)NCC[NH+](C)C)c1 ZINC000013048398 175276068 /nfs/dbraw/zinc/27/60/68/175276068.db2.gz RHWRLPHRQUXHCC-UHFFFAOYSA-N 1 0 237.303 1.378 40 0 BDABRO COc1cccc([C@H](C[NH3+])N(C)C)c1OC ZINC000019796353 175294221 /nfs/dbraw/zinc/29/42/21/175294221.db2.gz ZUYLYQJNEQUPMI-JTQLQIEISA-N 1 0 224.304 1.265 40 0 BDABRO C[C@@H](c1ccccn1)[N@@H+]1CCCC[C@@H]1CO ZINC000072203955 176027874 /nfs/dbraw/zinc/02/78/74/176027874.db2.gz TZMPUWQLONXYTH-NWDGAFQWSA-N 1 0 220.316 1.989 40 0 BDABRO C[C@@H](c1nccs1)N1CCC([NH3+])CC1 ZINC000043220351 176038839 /nfs/dbraw/zinc/03/88/39/176038839.db2.gz MADQHCCOMNNOEM-QMMMGPOBSA-N 1 0 211.334 1.627 40 0 BDABRO C[C@H]1CC([NH2+]CC[S@](C)=O)C[C@@H](C)C1 ZINC000097229309 176055478 /nfs/dbraw/zinc/05/54/78/176055478.db2.gz KQUZTVRCEOWKGT-VTKXWYFXSA-N 1 0 217.378 1.779 40 0 BDABRO C[C@@H]1CN(C(=O)CCc2ccccc2)CC[NH2+]1 ZINC000062615343 176245449 /nfs/dbraw/zinc/24/54/49/176245449.db2.gz QOUXHIIZYIRPPH-GFCCVEGCSA-N 1 0 232.327 1.440 40 0 BDABRO C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290441 177072343 /nfs/dbraw/zinc/07/23/43/177072343.db2.gz SBZHKAOVUMLDKW-NWDGAFQWSA-N 1 0 224.348 1.777 40 0 BDABRO C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](C)C2)C1 ZINC000169951774 177094160 /nfs/dbraw/zinc/09/41/60/177094160.db2.gz FIUSVJRWHMQPEW-RYUDHWBXSA-N 1 0 224.348 1.587 40 0 BDABRO C[C@H]1CC[NH2+]C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC000038847051 177174174 /nfs/dbraw/zinc/17/41/74/177174174.db2.gz XRIARWQZLGCQDM-ONGXEEELSA-N 1 0 245.330 1.392 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(F)cc1F ZINC000054370384 177284093 /nfs/dbraw/zinc/28/40/93/177284093.db2.gz OKRCYZPNVZZHNW-QMMMGPOBSA-N 1 0 240.253 1.399 40 0 BDABRO C[C@H]1C[NH2+]CCN1Cc1ccc(F)cc1 ZINC000041217539 177284318 /nfs/dbraw/zinc/28/43/18/177284318.db2.gz QXXINOPRGCUQLX-JTQLQIEISA-N 1 0 208.280 1.619 40 0 BDABRO C[C@H]1C[C@@H]1C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC000096075380 177340287 /nfs/dbraw/zinc/34/02/87/177340287.db2.gz MAGYHAFKSNABKM-QWRGUYRKSA-N 1 0 222.332 1.387 40 0 BDABRO CC(C)c1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000225776038 519836805 /nfs/dbraw/zinc/83/68/05/519836805.db2.gz ZFJRRHWMTSTSBR-CABZTGNLSA-N 1 0 218.300 1.872 40 0 BDABRO C[C@@H]1[C@@H]([NH3+])C(=O)N1c1ccc2ccccc2c1 ZINC000225776720 525660842 /nfs/dbraw/zinc/66/08/42/525660842.db2.gz BYHYCDUINMCLOR-NOZJJQNGSA-N 1 0 226.279 1.902 40 0 BDABRO [NH2+]=C(Cc1cc(F)c(F)cc1F)NO ZINC000228915149 526816683 /nfs/dbraw/zinc/81/66/83/526816683.db2.gz RKYRWQVUCQTALX-UHFFFAOYSA-N 1 0 204.151 1.602 40 0 BDABRO O=C1CCCN1c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072386714 526982306 /nfs/dbraw/zinc/98/23/06/526982306.db2.gz AWNAJAYIUQDCQQ-LLVKDONJSA-N 1 0 245.326 1.675 40 0 BDABRO C[NH+]1CCN(c2ccnc(Cl)c2)CC1 ZINC000072228427 536424347 /nfs/dbraw/zinc/42/43/47/536424347.db2.gz LZNIGCHFFNADHP-UHFFFAOYSA-N 1 0 211.696 1.487 40 0 BDABRO COC(=O)c1ccccc1N1CC[NH2+]C[C@H]1C ZINC000039952484 536818764 /nfs/dbraw/zinc/81/87/64/536818764.db2.gz OFEVVVMZMLNELW-SNVBAGLBSA-N 1 0 234.299 1.271 40 0 BDABRO Cc1cc(CCC(N)=O)cc(C2CC[NH2+]CC2)n1 ZINC000072344286 177960884 /nfs/dbraw/zinc/96/08/84/177960884.db2.gz XJWSHIHHJYFCJR-UHFFFAOYSA-N 1 0 247.342 1.275 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@H](c2cc(CO)[nH]n2)C1 ZINC000072383174 343979969 /nfs/dbraw/zinc/97/99/69/343979969.db2.gz OADYJTOYSLFFKG-NSHDSACASA-N 1 0 237.347 1.737 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@@H](c2cc(CO)[nH]n2)C1 ZINC000072383175 343980038 /nfs/dbraw/zinc/98/00/38/343980038.db2.gz OADYJTOYSLFFKG-LLVKDONJSA-N 1 0 237.347 1.737 40 0 BDABRO [NH3+]C[C@H](c1ccccn1)N1CCCCC1 ZINC000019399286 398191503 /nfs/dbraw/zinc/19/15/03/398191503.db2.gz QIRZLLAMECDOKM-GFCCVEGCSA-N 1 0 205.305 1.567 40 0 BDABRO Cc1cc(N(C)C)cc([C@H]2CCCN2CCO)[nH+]1 ZINC000072356893 178094647 /nfs/dbraw/zinc/09/46/47/178094647.db2.gz RNQYJAVKFRERBE-CQSZACIVSA-N 1 0 249.358 1.585 40 0 BDABRO Cc1cc(N(C)C)cc([C@@H]2CCCN2CCO)[nH+]1 ZINC000072356892 178095405 /nfs/dbraw/zinc/09/54/05/178095405.db2.gz RNQYJAVKFRERBE-AWEZNQCLSA-N 1 0 249.358 1.585 40 0 BDABRO Cc1nn(C)cc1C[NH2+]Cc1cnn(C(C)C)c1 ZINC000232782729 187326647 /nfs/dbraw/zinc/32/66/47/187326647.db2.gz RSGSGGDHISJBNH-UHFFFAOYSA-N 1 0 247.346 1.796 40 0 BDABRO [NH3+]Cc1ccccc1NC(=O)C(F)(F)F ZINC000016449568 259307467 /nfs/dbraw/zinc/30/74/67/259307467.db2.gz IEEGGJKOCSUQOY-UHFFFAOYSA-N 1 0 218.178 1.646 40 0 BDABRO Cc1c(C[NH3+])nnn1Cc1ccccc1 ZINC000062283332 398248647 /nfs/dbraw/zinc/24/86/47/398248647.db2.gz LLRUXWGZZRCNEH-UHFFFAOYSA-N 1 0 202.261 1.094 40 0 BDABRO Cc1cc[n+](C[C@H](O)COc2ccccc2)cc1 ZINC000000297625 178309589 /nfs/dbraw/zinc/30/95/89/178309589.db2.gz DMLKFJMLGOJPRZ-AWEZNQCLSA-N 1 0 244.314 1.722 40 0 BDABRO Cc1ccc(-c2nnc([C@@H](C)[NH3+])[nH]2)cc1 ZINC000061843920 178331365 /nfs/dbraw/zinc/33/13/65/178331365.db2.gz AVMRBAQMKINRLM-MRVPVSSYSA-N 1 0 202.261 1.800 40 0 BDABRO Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000054370314 178392568 /nfs/dbraw/zinc/39/25/68/178392568.db2.gz FGORNGDKYBLCCA-NSHDSACASA-N 1 0 218.300 1.429 40 0 BDABRO Cc1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC000005543576 178408511 /nfs/dbraw/zinc/40/85/11/178408511.db2.gz FJKKTBYQOBQTGZ-UHFFFAOYSA-N 1 0 220.316 1.677 40 0 BDABRO CCOC(=O)[C@H](CN)[C@@H](C(C)C)[NH+](CC)CC ZINC000072210496 259316954 /nfs/dbraw/zinc/31/69/54/259316954.db2.gz GBNKWVMMVXFDQT-VXGBXAGGSA-N 1 0 244.379 1.491 40 0 BDABRO CC[NH+](CC)CCn1ncc2ccccc2c1=O ZINC000005469657 342764496 /nfs/dbraw/zinc/76/44/96/342764496.db2.gz WBVDQYXTENJADO-UHFFFAOYSA-N 1 0 245.326 1.738 40 0 BDABRO C[NH+]1CCC(OC(=O)c2cccs2)CC1 ZINC000005677778 342768434 /nfs/dbraw/zinc/76/84/34/342768434.db2.gz VKCNIUQEUGECFL-UHFFFAOYSA-N 1 0 225.313 1.999 40 0 BDABRO CC[NH+](CC)CC(=O)Nc1cccc(N)c1 ZINC000008703585 342803006 /nfs/dbraw/zinc/80/30/06/342803006.db2.gz GOHHTRIDHXIBGE-UHFFFAOYSA-N 1 0 221.304 1.549 40 0 BDABRO O=C(CC[N@H+]1CCC[C@@H](CO)C1)c1ccccc1 ZINC000043220485 342790996 /nfs/dbraw/zinc/79/09/96/342790996.db2.gz XWPDSOSNNQNOSM-CYBMUJFWSA-N 1 0 247.338 1.964 40 0 BDABRO CCN(CC)c1cc(C)c(C[NH2+]C)cn1 ZINC000072223273 259320969 /nfs/dbraw/zinc/32/09/69/259320969.db2.gz LVTQHWLVGJYMPL-UHFFFAOYSA-N 1 0 207.321 1.956 40 0 BDABRO C1CCN(C2=NC(=[N+]3CCCC3)SC2)C1 ZINC000016138012 342907038 /nfs/dbraw/zinc/90/70/38/342907038.db2.gz SCRGZMRAFMXSQL-UHFFFAOYSA-N 1 0 224.353 1.390 40 0 BDABRO CCOc1cccc([C@@H]2CN(C)C[C@@H]2[NH3+])c1 ZINC000217662147 398322665 /nfs/dbraw/zinc/32/26/65/398322665.db2.gz NGXVBQRXWPZTTC-STQMWFEESA-N 1 0 220.316 1.442 40 0 BDABRO CCOc1cccc([C@H]2CN(C)C[C@@H]2[NH3+])c1 ZINC000217662231 398322774 /nfs/dbraw/zinc/32/27/74/398322774.db2.gz NGXVBQRXWPZTTC-OLZOCXBDSA-N 1 0 220.316 1.442 40 0 BDABRO COc1ccc([C@@H]2C[C@@]2(C[NH3+])CO)cc1OC ZINC000062713400 259329573 /nfs/dbraw/zinc/32/95/73/259329573.db2.gz AWXFMNQIYDUJFS-GXFFZTMASA-N 1 0 237.299 1.129 40 0 BDABRO [NH3+][C@H](Cc1ccccc1)Cn1ccnc1 ZINC000022115195 343040325 /nfs/dbraw/zinc/04/03/25/343040325.db2.gz XDIMGPCJKRKQDL-GFCCVEGCSA-N 1 0 201.273 1.453 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1cccs1 ZINC000259739548 343137990 /nfs/dbraw/zinc/13/79/90/343137990.db2.gz RWIPGVSQZWLLSB-SFYZADRCSA-N 1 0 211.286 1.224 40 0 BDABRO CC(=O)N1CC2(CC[NH2+]CC2)c2cc(C)ccc21 ZINC000082141528 187242924 /nfs/dbraw/zinc/24/29/24/187242924.db2.gz GKVHNBVPMWPMOT-UHFFFAOYSA-N 1 0 244.338 1.983 40 0 BDABRO O=C(c1cccc(F)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000033426484 343253960 /nfs/dbraw/zinc/25/39/60/343253960.db2.gz JINVHUHPWPYUSO-AWEZNQCLSA-N 1 0 248.301 1.651 40 0 BDABRO c1cc([C@H]2CCC[N@@H+]2C2CCOCC2)n[nH]1 ZINC000019695454 187252524 /nfs/dbraw/zinc/25/25/24/187252524.db2.gz NZTHGLCNTMPTCR-GFCCVEGCSA-N 1 0 221.304 1.726 40 0 BDABRO Cc1ccc(CN(C)C(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000020264570 343263037 /nfs/dbraw/zinc/26/30/37/343263037.db2.gz ZHWPYDYXGGNALB-ZDUSSCGKSA-N 1 0 234.343 1.937 40 0 BDABRO Cc1cccc(CN(C(=O)C[NH3+])C2CC2)c1 ZINC000032013291 343290172 /nfs/dbraw/zinc/29/01/72/343290172.db2.gz PCPSPFLKLFSLJJ-UHFFFAOYSA-N 1 0 218.300 1.445 40 0 BDABRO COc1ccc(CN2CCC[C@@H]([NH3+])C2)cn1 ZINC000040434187 187262916 /nfs/dbraw/zinc/26/29/16/187262916.db2.gz JVQSLAFBFZSEGO-LLVKDONJSA-N 1 0 221.304 1.013 40 0 BDABRO O=C(NC[C@@H]1CC[NH2+]C1)OCc1ccccc1 ZINC000039951987 187263362 /nfs/dbraw/zinc/26/33/62/187263362.db2.gz QGZPSEQCVNAHGG-GFCCVEGCSA-N 1 0 234.299 1.522 40 0 BDABRO CC(C)N(CC[NH3+])[C@@H](C)c1ccccn1 ZINC000079421748 187263734 /nfs/dbraw/zinc/26/37/34/187263734.db2.gz POKNJKFRECSUTF-NSHDSACASA-N 1 0 207.321 1.812 40 0 BDABRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccncc1 ZINC000047218966 343559239 /nfs/dbraw/zinc/55/92/39/343559239.db2.gz GGISBGUWNWCRAX-UHFFFAOYSA-N 1 0 236.315 1.903 40 0 BDABRO COC(=O)C[C@H](C)[NH2+]CCCOC(C)C ZINC000047219198 343559639 /nfs/dbraw/zinc/55/96/39/343559639.db2.gz RBHQYDSVMSQXMM-JTQLQIEISA-N 1 0 217.309 1.343 40 0 BDABRO CCCCCC[NH2+]C[C@@H](C)C(=O)OC ZINC000047219168 343559891 /nfs/dbraw/zinc/55/98/91/343559891.db2.gz HRHBAJGPYRKATQ-SNVBAGLBSA-N 1 0 201.310 1.965 40 0 BDABRO Cc1nc2cnc(Cl)nc2n1CC[NH+](C)C ZINC000096311476 343667472 /nfs/dbraw/zinc/66/74/72/343667472.db2.gz OGAAMABRVOFIGB-UHFFFAOYSA-N 1 0 239.710 1.350 40 0 BDABRO C[C@@H]1CCc2nnc(N3CC[C@H]([NH3+])C3)cc2C1 ZINC000096530199 343761388 /nfs/dbraw/zinc/76/13/88/343761388.db2.gz XNNZPBZAFMQZCC-KOLCDFICSA-N 1 0 232.331 1.139 40 0 BDABRO OC[C@@H]1C[NH2+]C[C@@H]1c1ccc(Br)o1 ZINC000409422876 343814225 /nfs/dbraw/zinc/81/42/25/343814225.db2.gz LPMHZQWBOLYQLI-BQBZGAKWSA-N 1 0 246.104 1.337 40 0 BDABRO CO[C@@H]1C[NH2+]CC[C@@H]1Cc1cccc(F)c1 ZINC000221730247 346986861 /nfs/dbraw/zinc/98/68/61/346986861.db2.gz UKHPEUGXHWTWKC-DGCLKSJQSA-N 1 0 223.291 1.993 40 0 BDABRO NCC(F)(C[NH3+])Cc1ccccc1Cl ZINC000585142218 343877002 /nfs/dbraw/zinc/87/70/02/343877002.db2.gz LKFCESUGNSHADP-UHFFFAOYSA-N 1 0 216.687 1.508 40 0 BDABRO CN(C(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000074713310 187277661 /nfs/dbraw/zinc/27/76/61/187277661.db2.gz UNTFIAXICBBHAY-UHFFFAOYSA-N 1 0 232.327 1.991 40 0 BDABRO Cc1ccc(-c2ccc(=O)n(CCC[NH3+])n2)o1 ZINC000575622726 343874680 /nfs/dbraw/zinc/87/46/80/343874680.db2.gz RWWJJFJPLBMWKU-UHFFFAOYSA-N 1 0 233.271 1.161 40 0 BDABRO C[N@@H+]1CCC[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000082321797 187281877 /nfs/dbraw/zinc/28/18/77/187281877.db2.gz VDAPXHHTACNXHX-CYBMUJFWSA-N 1 0 244.338 1.918 40 0 BDABRO CC(C)Cn1cc2c(c(C[NH3+])c1=O)CCCC2 ZINC000095097281 187286794 /nfs/dbraw/zinc/28/67/94/187286794.db2.gz VVBBSYWWDGNBTN-UHFFFAOYSA-N 1 0 234.343 1.842 40 0 BDABRO CC(C)Cn1cc2c(n1)C[C@H]1CC[C@@H]2[NH2+]1 ZINC000096510245 187288460 /nfs/dbraw/zinc/28/84/60/187288460.db2.gz MCZMGKTYHDDFMG-KOLCDFICSA-N 1 0 205.305 1.888 40 0 BDABRO C[NH+]1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000585105011 344134536 /nfs/dbraw/zinc/13/45/36/344134536.db2.gz NSEGZWRSURZZNK-NSHDSACASA-N 1 0 236.340 1.650 40 0 BDABRO C1CCc2c(nnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000096515848 187288660 /nfs/dbraw/zinc/28/86/60/187288660.db2.gz QDPCCQMLZIIJJN-SECBINFHSA-N 1 0 206.293 1.081 40 0 BDABRO CC(C)[C@@H]1CCC(=O)N1[C@@H]1CCC[NH2+]C1 ZINC000256054290 344146938 /nfs/dbraw/zinc/14/69/38/344146938.db2.gz VSYYGCWDQMHTMI-MNOVXSKESA-N 1 0 210.321 1.385 40 0 BDABRO COCc1cncc2c1CCN([C@H]1CCOC1)C2 ZINC000096189300 187289013 /nfs/dbraw/zinc/28/90/13/187289013.db2.gz BQRBIAOLACEYBO-ZDUSSCGKSA-N 1 0 248.326 1.375 40 0 BDABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)N(C)C ZINC000096055792 344366014 /nfs/dbraw/zinc/36/60/14/344366014.db2.gz UGKZHXUBRSWFNB-NWDGAFQWSA-N 1 0 239.363 1.473 40 0 BDABRO Fc1ccc(-c2noc([C@H]3CC[NH2+]C3)n2)cc1 ZINC000062119651 344423973 /nfs/dbraw/zinc/42/39/73/344423973.db2.gz JBVCXJIUYHCGHH-VIFPVBQESA-N 1 0 233.246 1.953 40 0 BDABRO Cc1cccc(Cn2cncc2C[NH3+])c1 ZINC000085197332 344507311 /nfs/dbraw/zinc/50/73/11/344507311.db2.gz FKPPYHIBZJANER-UHFFFAOYSA-N 1 0 201.273 1.699 40 0 BDABRO C[C@@](O)(c1ccc(C[NH3+])cc1)C(F)(F)F ZINC000220926422 344641574 /nfs/dbraw/zinc/64/15/74/344641574.db2.gz RNTQOACKMCNYES-SECBINFHSA-N 1 0 219.206 1.915 40 0 BDABRO CCn1nc(C)cc1CN1CCC([NH3+])CC1 ZINC000012398820 187298204 /nfs/dbraw/zinc/29/82/04/187298204.db2.gz VDQQGDZPXHIGDL-UHFFFAOYSA-N 1 0 222.336 1.135 40 0 BDABRO O[C@@]1(COc2ccccc2)CCC[NH2+]CC1 ZINC000258599080 345784706 /nfs/dbraw/zinc/78/47/06/345784706.db2.gz UNTRXMKISAFXNO-ZDUSSCGKSA-N 1 0 221.300 1.570 40 0 BDABRO CCCC(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC000096049366 168537842 /nfs/dbraw/zinc/53/78/42/168537842.db2.gz JYVVELUNQTYVPG-UHFFFAOYSA-N 1 0 210.321 1.531 40 0 BDABRO Cc1cccc(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000062608749 179009886 /nfs/dbraw/zinc/00/98/86/179009886.db2.gz ROFFVQLXYMBJTD-LLVKDONJSA-N 1 0 218.300 1.429 40 0 BDABRO O=C(C[NH+]1CCCCCC1)NC[C@@H]1CCCO1 ZINC000004968563 346258155 /nfs/dbraw/zinc/25/81/55/346258155.db2.gz NCOSXFCLEZAKOB-LBPRGKRZSA-N 1 0 240.347 1.158 40 0 BDABRO Cc1cccc(C2(C[NH3+])CCOCC2)n1 ZINC000082932861 179050471 /nfs/dbraw/zinc/05/04/71/179050471.db2.gz WTAAVKKTIPLVBD-UHFFFAOYSA-N 1 0 206.289 1.397 40 0 BDABRO CCOc1cc2c(cc1OC)C[NH2+]CC2 ZINC000004777496 346607519 /nfs/dbraw/zinc/60/75/19/346607519.db2.gz PZNFFJHHTABBMQ-UHFFFAOYSA-N 1 0 207.273 1.740 40 0 BDABRO Cc1cccc(OC[C@H](O)C[NH+](C)C)c1C ZINC000026802569 179171044 /nfs/dbraw/zinc/17/10/44/179171044.db2.gz JCQGSSBEBGNYEX-GFCCVEGCSA-N 1 0 223.316 1.605 40 0 BDABRO Fc1ccc(CN2C[C@H]3C[C@@H]2C[NH2+]3)cc1 ZINC000019796108 347284897 /nfs/dbraw/zinc/28/48/97/347284897.db2.gz WOCPIKSQKAHVNP-VXGBXAGGSA-N 1 0 206.264 1.372 40 0 BDABRO Cc1ccccc1-c1cnn(CC[NH3+])c1 ZINC000049812298 179236756 /nfs/dbraw/zinc/23/67/56/179236756.db2.gz LMCKGMFKNNQCHG-UHFFFAOYSA-N 1 0 201.273 1.817 40 0 BDABRO Cc1ccccc1-c1ccnn1CC[NH3+] ZINC000096527696 179237212 /nfs/dbraw/zinc/23/72/12/179237212.db2.gz ZHORTCJEQNFJBX-UHFFFAOYSA-N 1 0 201.273 1.817 40 0 BDABRO CNc1nc([C@@H]2CCC[NH2+]C2)cn2cccc12 ZINC000205689052 348575032 /nfs/dbraw/zinc/57/50/32/348575032.db2.gz FOCZHMZMIOTCCL-SNVBAGLBSA-N 1 0 230.315 1.843 40 0 BDABRO CNc1nc([C@H]2CCC[NH2+]2)cn2cccc12 ZINC000205689191 348575389 /nfs/dbraw/zinc/57/53/89/348575389.db2.gz SHZCJJVFMXHZCR-SECBINFHSA-N 1 0 216.288 1.801 40 0 BDABRO Cc1c[nH]nc1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000205689789 348576086 /nfs/dbraw/zinc/57/60/86/348576086.db2.gz BZYJPJQGIZGTFJ-NSHDSACASA-N 1 0 205.305 1.917 40 0 BDABRO Fc1cc(Cl)ccc1OC1C[NH2+]C1 ZINC000038580870 348715030 /nfs/dbraw/zinc/71/50/30/348715030.db2.gz RIXSSHLYDVTWMR-UHFFFAOYSA-N 1 0 201.628 1.830 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000038539821 348704573 /nfs/dbraw/zinc/70/45/73/348704573.db2.gz ZZUSTKDKBUGZGA-NSHDSACASA-N 1 0 226.270 1.888 40 0 BDABRO CC[C@H](C)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062717805 259408176 /nfs/dbraw/zinc/40/81/76/259408176.db2.gz FODNDJFTXBHITF-NSHDSACASA-N 1 0 234.347 1.965 40 0 BDABRO CO[C@@H]1CC[NH2+]C[C@H]1Cc1ccccc1F ZINC000221730578 349283860 /nfs/dbraw/zinc/28/38/60/349283860.db2.gz VCBFOQGKCSUXAW-DGCLKSJQSA-N 1 0 223.291 1.993 40 0 BDABRO c1ccc(N[C@H]2CO[C@]3(CC[NH2+]C3)C2)cc1 ZINC000306123341 538042694 /nfs/dbraw/zinc/04/26/94/538042694.db2.gz AKOZROPGJXWSAW-CHWSQXEVSA-N 1 0 218.300 1.620 40 0 BDABRO N[n+]1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000059597005 191134999 /nfs/dbraw/zinc/13/49/99/191134999.db2.gz QBLKTGFPENMBGN-UHFFFAOYSA-N 1 0 244.105 1.240 40 0 BDABRO Cn1cc(-c2noc(CC[NH3+])n2)c2ccccc21 ZINC000013860821 180628786 /nfs/dbraw/zinc/62/87/86/180628786.db2.gz AGVLIXYCSVBQRY-UHFFFAOYSA-N 1 0 242.282 1.730 40 0 BDABRO OC[C@H]1C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000105639316 352075175 /nfs/dbraw/zinc/07/51/75/352075175.db2.gz MGNQLOJYBBCILH-SCZZXKLOSA-N 1 0 211.692 1.635 40 0 BDABRO COC(=O)[C@@H](C[NH3+])Cc1ccccc1Cl ZINC000044250087 352230700 /nfs/dbraw/zinc/23/07/00/352230700.db2.gz PUGDXBSDCSVWJY-SECBINFHSA-N 1 0 227.691 1.630 40 0 BDABRO C(OC[C@H]1COCCC12CC[NH2+]CC2)C1CC1 ZINC000096106491 187974861 /nfs/dbraw/zinc/97/48/61/187974861.db2.gz YHMHIWMOQKXSMU-CYBMUJFWSA-N 1 0 239.359 1.819 40 0 BDABRO CC(C)N(C(=O)C[NH2+]C[C@H]1CCCO1)C(C)C ZINC000004969147 187986724 /nfs/dbraw/zinc/98/67/24/187986724.db2.gz OLVYDAARIPRNND-GFCCVEGCSA-N 1 0 242.363 1.400 40 0 BDABRO C(=C/c1ccccc1)\CN1CCC[NH2+]CC1 ZINC000022938519 188007620 /nfs/dbraw/zinc/00/76/20/188007620.db2.gz PRSUIGUMFYZTCX-XBXARRHUSA-N 1 0 216.328 1.995 40 0 BDABRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000019401570 188010093 /nfs/dbraw/zinc/01/00/93/188010093.db2.gz IETMNQUJLDBSQH-SNVBAGLBSA-N 1 0 236.290 1.555 40 0 BDABRO Fc1cc(F)c(CN2CC[NH2+]CC2)cc1F ZINC000067799172 180950310 /nfs/dbraw/zinc/95/03/10/180950310.db2.gz QXWKJJROQOEMCC-UHFFFAOYSA-N 1 0 230.233 1.509 40 0 BDABRO Fc1cccc(N[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC000096220030 181001913 /nfs/dbraw/zinc/00/19/13/181001913.db2.gz LXCJXVRSQHKXCM-STQMWFEESA-N 1 0 236.290 1.759 40 0 BDABRO Fc1cccc(O[C@H]2C[C@@H]3C[NH2+]CCN3C2)c1 ZINC000107915977 181002511 /nfs/dbraw/zinc/00/25/11/181002511.db2.gz NOXHOBVVJWJJLT-YPMHNXCESA-N 1 0 236.290 1.251 40 0 BDABRO Fc1cccc(N[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC000096220027 181002614 /nfs/dbraw/zinc/00/26/14/181002614.db2.gz LXCJXVRSQHKXCM-OLZOCXBDSA-N 1 0 236.290 1.759 40 0 BDABRO Fc1ccccc1CNC[C@H]1CCC[NH2+]C1 ZINC000072202949 181013217 /nfs/dbraw/zinc/01/32/17/181013217.db2.gz BTNKVAVEWGEGDH-NSHDSACASA-N 1 0 222.307 1.915 40 0 BDABRO Cc1ccc(NC(=O)NC2C[NH2+]C2)c(F)c1 ZINC000335248310 355165205 /nfs/dbraw/zinc/16/52/05/355165205.db2.gz OTYIAQBZDJQZRG-UHFFFAOYSA-N 1 0 223.251 1.227 40 0 BDABRO NC(=[NH2+])COc1ccccc1Br ZINC000055364105 181186456 /nfs/dbraw/zinc/18/64/56/181186456.db2.gz OVSVRBWIUXVJCJ-UHFFFAOYSA-N 1 0 229.077 1.764 40 0 BDABRO Cc1ccccc1OC[C@]1(O)CCC[NH2+]C1 ZINC000383823057 355366248 /nfs/dbraw/zinc/36/62/48/355366248.db2.gz JITLWQBDAPCYTB-ZDUSSCGKSA-N 1 0 221.300 1.488 40 0 BDABRO NC(=[NH2+])c1ccc(Br)nc1 ZINC000082046785 181193553 /nfs/dbraw/zinc/19/35/53/181193553.db2.gz FMAPHMYZSAAORW-UHFFFAOYSA-N 1 0 200.039 1.128 40 0 BDABRO NC(=[NH2+])c1cccc(I)c1 ZINC000001439377 181195962 /nfs/dbraw/zinc/19/59/62/181195962.db2.gz XJQGSJBTLSVOQF-UHFFFAOYSA-N 1 0 246.051 1.575 40 0 BDABRO CC[NH2+]Cc1cccc(C(=O)OCC)c1 ZINC000685937091 538759137 /nfs/dbraw/zinc/75/91/37/538759137.db2.gz IXCCIOAIVVZFBY-UHFFFAOYSA-N 1 0 207.273 1.973 40 0 BDABRO O[C@@]1(COc2ccc(F)cc2)CCC[NH2+]CC1 ZINC000399616387 356987660 /nfs/dbraw/zinc/98/76/60/356987660.db2.gz RFQVZENGVALTFZ-ZDUSSCGKSA-N 1 0 239.290 1.709 40 0 BDABRO C[C@H](C1CC1)[N@H+](C1CC1)[C@H]1CNCC[C@@]1(C)O ZINC000685936117 538757285 /nfs/dbraw/zinc/75/72/85/538757285.db2.gz FYAXTXJNIYAOCQ-DDTOSNHZSA-N 1 0 238.375 1.362 40 0 BDABRO CN(CCc1ccccn1)CC1=COCCO1 ZINC000013568212 358433462 /nfs/dbraw/zinc/43/34/62/358433462.db2.gz OUHOPEWJRVXRPN-UHFFFAOYSA-N 1 0 234.299 1.444 40 0 BDABRO CCN(CC)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050931178 259521198 /nfs/dbraw/zinc/52/11/98/259521198.db2.gz KKIWEIUOJUCGLT-NSHDSACASA-N 1 0 212.337 1.777 40 0 BDABRO Cc1ccc(CCN2CC[NH2+]CC2)cc1 ZINC000041213175 361463821 /nfs/dbraw/zinc/46/38/21/361463821.db2.gz JRGYVKJTCWLMNS-UHFFFAOYSA-N 1 0 204.317 1.443 40 0 BDABRO CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000139185284 361585959 /nfs/dbraw/zinc/58/59/59/361585959.db2.gz BHOQHYOAFUMULA-ZIAGYGMSSA-N 1 0 216.328 1.823 40 0 BDABRO [NH3+]C1CCN(Cc2ccc(F)s2)CC1 ZINC000067802974 181344410 /nfs/dbraw/zinc/34/44/10/181344410.db2.gz VDNKBRFBUAPGEP-UHFFFAOYSA-N 1 0 214.309 1.810 40 0 BDABRO CSCC[C@H]([NH3+])C(=O)N1CCCCC1 ZINC000011754912 370750093 /nfs/dbraw/zinc/75/00/93/370750093.db2.gz WLSRFKYJRZEQFE-VIFPVBQESA-N 1 0 216.350 1.079 40 0 BDABRO [NH3+]CC1(Cc2ccncc2)CCOCC1 ZINC000098214158 181360062 /nfs/dbraw/zinc/36/00/62/181360062.db2.gz AXTDLRRBIDPQNE-UHFFFAOYSA-N 1 0 206.289 1.380 40 0 BDABRO CCC(=O)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225504 259533212 /nfs/dbraw/zinc/53/32/12/259533212.db2.gz NRUXKGBJMSWOCH-UHFFFAOYSA-N 1 0 219.288 1.084 40 0 BDABRO O[C@@H]1C[NH2+]CC[C@@H]1Cc1cccc(F)c1 ZINC000214991502 368137648 /nfs/dbraw/zinc/13/76/48/368137648.db2.gz ABVPEUPSEOQROO-ZYHUDNBSSA-N 1 0 209.264 1.339 40 0 BDABRO Cc1cc(N(C)C)nc([C@]2(C)CCC[NH2+]C2)n1 ZINC000205684499 368356196 /nfs/dbraw/zinc/35/61/96/368356196.db2.gz GQCKTAZWTAZLOL-CYBMUJFWSA-N 1 0 234.347 1.492 40 0 BDABRO Cc1nc([C@H]2CCC[NH2+]2)cc(N2CCOC2=O)n1 ZINC000205695378 368358822 /nfs/dbraw/zinc/35/88/22/368358822.db2.gz KNWLAILGUZMBNS-SECBINFHSA-N 1 0 248.286 1.166 40 0 BDABRO COc1ccc2c(c1)NC(=O)C21CC[NH2+]CC1 ZINC000214142628 368361214 /nfs/dbraw/zinc/36/12/14/368361214.db2.gz LDNJOARTTIDOGD-UHFFFAOYSA-N 1 0 232.283 1.269 40 0 BDABRO [NH3+]C1(c2ccc(F)c(Cl)c2)COC1 ZINC000259425550 370912135 /nfs/dbraw/zinc/91/21/35/370912135.db2.gz ZGDSVCWRKUDTCK-UHFFFAOYSA-N 1 0 201.628 1.663 40 0 BDABRO [NH3+][C@]12C[C@H]1CN(C(=O)OCc1ccccc1)C2 ZINC000575440828 369027487 /nfs/dbraw/zinc/02/74/87/369027487.db2.gz JUVCIMRPEDATGP-AAEUAGOBSA-N 1 0 232.283 1.356 40 0 BDABRO c1c[nH]c(-c2nccnc2[C@@H]2CCC[NH2+]2)n1 ZINC000205690186 369996513 /nfs/dbraw/zinc/99/65/13/369996513.db2.gz CHLYLKGXIPHUBY-QMMMGPOBSA-N 1 0 215.260 1.291 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000038539621 181578930 /nfs/dbraw/zinc/57/89/30/181578930.db2.gz IWWLKPPORQFPPZ-GFCCVEGCSA-N 1 0 208.280 1.749 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC000038539858 181579115 /nfs/dbraw/zinc/57/91/15/181579115.db2.gz JPAGPIYHOBHMCB-LLVKDONJSA-N 1 0 206.289 1.315 40 0 BDABRO Cc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1 ZINC000020367102 371273562 /nfs/dbraw/zinc/27/35/62/371273562.db2.gz KZCQMEMCNGRKFZ-CYBMUJFWSA-N 1 0 204.317 1.918 40 0 BDABRO [NH3+][C@H]1CCN(c2cc(C(F)(F)F)ncn2)C1 ZINC000079387802 181652186 /nfs/dbraw/zinc/65/21/86/181652186.db2.gz IASFYHSTCPJRQG-LURJTMIESA-N 1 0 232.209 1.033 40 0 BDABRO [NH3+]C[C@H]1C[C@@H](C(F)(F)F)C[C@@H]2OCC[C@@H]21 ZINC000225761713 371574160 /nfs/dbraw/zinc/57/41/60/371574160.db2.gz VPKPDQBQCZBISA-BGZDPUMWSA-N 1 0 223.238 1.939 40 0 BDABRO O=C1CCC[C@H]2[C@@H]3C[C@H](CN12)[C@@H]1CCCC[N@@H+]1C3 ZINC000032297234 372174019 /nfs/dbraw/zinc/17/40/19/372174019.db2.gz JYIJIIVLEOETIQ-MQYQWHSLSA-N 1 0 248.370 1.872 40 0 biogenic,in-vitro BDABRO Clc1cc(NC2CC[NH2+]CC2)ncn1 ZINC000038579831 372709562 /nfs/dbraw/zinc/70/95/62/372709562.db2.gz HVTJPJSIICOPAE-UHFFFAOYSA-N 1 0 212.684 1.294 40 0 BDABRO O=C(NCc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000019409010 182249957 /nfs/dbraw/zinc/24/99/57/182249957.db2.gz UAFCJOXCQNMXMP-LBPRGKRZSA-N 1 0 236.290 1.584 40 0 BDABRO O=C(N[C@H]1C[NH2+]C[C@H]1F)OCc1ccccc1 ZINC000083317134 182341785 /nfs/dbraw/zinc/34/17/85/182341785.db2.gz KZWUUEWPRQZDNF-MNOVXSKESA-N 1 0 238.262 1.223 40 0 BDABRO OCC[N@@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257289104 183075521 /nfs/dbraw/zinc/07/55/21/183075521.db2.gz PWZGHFMXMPKTOM-ZDUSSCGKSA-N 1 0 220.316 1.471 40 0 BDABRO OCCOC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079390532 183086524 /nfs/dbraw/zinc/08/65/24/183086524.db2.gz WLWNWKGPQLYDRR-CQSZACIVSA-N 1 0 235.327 1.660 40 0 BDABRO OCC[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000049801563 183092869 /nfs/dbraw/zinc/09/28/69/183092869.db2.gz XPXLFAQZPLERJX-ZDUSSCGKSA-N 1 0 220.316 1.819 40 0 BDABRO OCc1cc([C@H]2CCC[N@@H+]2CC2CC2)[nH]n1 ZINC000072350805 183162069 /nfs/dbraw/zinc/16/20/69/183162069.db2.gz IEKHMWOMMROBBU-GFCCVEGCSA-N 1 0 221.304 1.449 40 0 BDABRO O[C@H]1C[N@H+](Cc2cccnc2)CC[C@@]12CCCO2 ZINC000257233790 183243255 /nfs/dbraw/zinc/24/32/55/183243255.db2.gz GQTAUBVJMHCBEF-KBPBESRZSA-N 1 0 248.326 1.197 40 0 BDABRO CCC[NH+]1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000019511012 169202606 /nfs/dbraw/zinc/20/26/06/169202606.db2.gz KIAOEGAODJCSGQ-CYBMUJFWSA-N 1 0 225.380 1.156 40 0 BDABRO c1cc(C[NH2+]C2CC2)c2c(c1)OCCO2 ZINC000036167321 183348537 /nfs/dbraw/zinc/34/85/37/183348537.db2.gz KKPUSLZHVJJQHG-UHFFFAOYSA-N 1 0 205.257 1.710 40 0 BDABRO CCC[N@@H+]1CCc2ncnc(N(C)C)c2CC1 ZINC000096187684 169209379 /nfs/dbraw/zinc/20/93/79/169209379.db2.gz BASKBWAATRZNKN-UHFFFAOYSA-N 1 0 234.347 1.353 40 0 BDABRO c1ccc(-c2noc3c2C[NH2+]CC3)cc1 ZINC000019373976 183385625 /nfs/dbraw/zinc/38/56/25/183385625.db2.gz FHEAXPKZNVSNLJ-UHFFFAOYSA-N 1 0 200.241 1.987 40 0 BDABRO c1cc2n(n1)[C@H](COCC1CCCC1)C[NH2+]C2 ZINC000247877705 183376881 /nfs/dbraw/zinc/37/68/81/183376881.db2.gz OSMMVCALQPMDBD-ZDUSSCGKSA-N 1 0 235.331 1.734 40 0 BDABRO c1ccc(CCOC[C@@H]2CCC[NH2+]2)cc1 ZINC000031840170 183394783 /nfs/dbraw/zinc/39/47/83/183394783.db2.gz VPSQQUJHJAGFIF-ZDUSSCGKSA-N 1 0 205.301 1.998 40 0 BDABRO c1ccc(CN2CC3(C2)CCC[NH2+]C3)cc1 ZINC000038530199 183397120 /nfs/dbraw/zinc/39/71/20/183397120.db2.gz IIDCCOABJLXJJG-UHFFFAOYSA-N 1 0 216.328 1.872 40 0 BDABRO c1ccc(OC[C@]23CCCO[C@@H]2CC[NH2+]C3)nc1 ZINC000306124162 183420428 /nfs/dbraw/zinc/42/04/28/183420428.db2.gz BHZQARMEHHZSCO-TZMCWYRMSA-N 1 0 248.326 1.619 40 0 BDABRO c1ccc2c(c1)C[NH+]=C(N1CCCC1)N2 ZINC000005776483 183448249 /nfs/dbraw/zinc/44/82/49/183448249.db2.gz USUUKMLXKQDLEF-UHFFFAOYSA-N 1 0 201.273 1.873 40 0 BDABRO CCC[C@@H](C)[C@]1(CCC)C(=[NH2+])NC(N)=NC1=O ZINC000001715235 169373365 /nfs/dbraw/zinc/37/33/65/169373365.db2.gz ODMNDEAYBLYSMW-PRHODGIISA-N 1 0 238.335 1.421 40 0 BDABRO c1ncc(N2CCCC2)nc1[C@H]1CCC[NH2+]1 ZINC000072386377 183546770 /nfs/dbraw/zinc/54/67/70/183546770.db2.gz UYNMMWKCXXXCEQ-SNVBAGLBSA-N 1 0 218.304 1.501 40 0 BDABRO CCC[C@H]([NH2+]C)C(=O)c1cccc2c1OCO2 ZINC000095215390 169509865 /nfs/dbraw/zinc/50/98/65/169509865.db2.gz VLOXGPWMPMAHSR-JTQLQIEISA-N 1 0 235.283 1.986 40 0 in-vitro BDABRO CC(C)(C)OC(=O)N1C[C@H]2[NH2+]C[C@]2(C)C1 ZINC000238211049 166658051 /nfs/dbraw/zinc/65/80/51/166658051.db2.gz MAAKDBFEHVWWNI-LDYMZIIASA-N 1 0 212.293 1.215 40 0 BDABRO C[C@H]([NH3+])C(=O)NCc1ccc(Cl)cc1Cl ZINC000057535995 383850604 /nfs/dbraw/zinc/85/06/04/383850604.db2.gz OKYCSOBYEBFALK-LURJTMIESA-N 1 0 247.125 1.957 40 0 BDABRO N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000087878892 383871899 /nfs/dbraw/zinc/87/18/99/383871899.db2.gz MHFOHLNBBAHMLF-QMMMGPOBSA-N 1 0 242.204 1.872 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(F)cc1 ZINC000036134967 383872065 /nfs/dbraw/zinc/87/20/65/383872065.db2.gz OGQQMNZDRHQTAX-LBPRGKRZSA-N 1 0 238.306 1.767 40 0 BDABRO c1ccc(OCCN2CCC[NH2+]CC2)cc1 ZINC000036946461 383921666 /nfs/dbraw/zinc/92/16/66/383921666.db2.gz IBBSKZUJEYXODX-UHFFFAOYSA-N 1 0 220.316 1.361 40 0 BDABRO CCN(CC[NH3+])Cc1cccc(OC)c1 ZINC000039318901 383901492 /nfs/dbraw/zinc/90/14/92/383901492.db2.gz HQBIWNGNXVHZRX-UHFFFAOYSA-N 1 0 208.305 1.476 40 0 BDABRO [NH3+]CCOc1ccccc1OC(F)F ZINC000089262704 383955250 /nfs/dbraw/zinc/95/52/50/383955250.db2.gz QAIKGVSGEPLFBK-UHFFFAOYSA-N 1 0 203.188 1.626 40 0 BDABRO COC(=O)c1ccccc1C1CC[NH2+]CC1 ZINC000002391725 383961993 /nfs/dbraw/zinc/96/19/93/383961993.db2.gz FTYWVJRACDMVTQ-UHFFFAOYSA-N 1 0 219.284 1.940 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)c1nccs1 ZINC000070732430 383962313 /nfs/dbraw/zinc/96/23/13/383962313.db2.gz PDBJNJJEDKSRQO-SFYZADRCSA-N 1 0 227.333 1.304 40 0 BDABRO c1ccc2oc(N[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000070950173 383970138 /nfs/dbraw/zinc/97/01/38/383970138.db2.gz INYWVSPNOGJHHQ-SECBINFHSA-N 1 0 217.272 1.992 40 0 BDABRO CC(C)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000072356944 384012955 /nfs/dbraw/zinc/01/29/55/384012955.db2.gz KEIRCUXDMDLLRR-SNVBAGLBSA-N 1 0 220.320 1.647 40 0 BDABRO CN(C)C1=[NH+][C@H](c2ccccc2)CN1C ZINC000005510220 384119272 /nfs/dbraw/zinc/11/92/72/384119272.db2.gz KDYMYZBEECQBIS-NSHDSACASA-N 1 0 203.289 1.591 40 0 BDABRO C[N@H+](CCO)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393495 384132876 /nfs/dbraw/zinc/13/28/76/384132876.db2.gz NTKXQXSJYRKPCO-HNNXBMFYSA-N 1 0 248.370 1.575 40 0 BDABRO C[C@H]([NH3+])C(=O)N([C@@H](C)c1nccs1)C1CC1 ZINC000079436389 384146789 /nfs/dbraw/zinc/14/67/89/384146789.db2.gz XPRITXJMSHFDKO-YUMQZZPRSA-N 1 0 239.344 1.542 40 0 BDABRO CC(=O)N(C(C)C)[C@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079416543 384139611 /nfs/dbraw/zinc/13/96/11/384139611.db2.gz UECAOWQKLNMXRT-STQMWFEESA-N 1 0 242.363 1.136 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(C)[C@H](C)c1ccccn1 ZINC000079421838 384141623 /nfs/dbraw/zinc/14/16/23/384141623.db2.gz HBOFJJLLTRGMQH-PWSUYJOCSA-N 1 0 235.331 1.584 40 0 BDABRO CC(C)N(Cc1ccncc1)C(=O)[C@H](C)[NH3+] ZINC000079421859 384142404 /nfs/dbraw/zinc/14/24/04/384142404.db2.gz AEHLZWXWXWGGQG-JTQLQIEISA-N 1 0 221.304 1.166 40 0 BDABRO COc1ccc2[nH]c3c(nc[nH+]c3NN)c2c1 ZINC000408712500 384180246 /nfs/dbraw/zinc/18/02/46/384180246.db2.gz XAOABNLKKSKRHN-UHFFFAOYSA-N 1 0 229.243 1.405 40 0 BDABRO CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1 ZINC000008326377 384199796 /nfs/dbraw/zinc/19/97/96/384199796.db2.gz NSPUCBFOLNRDTC-NSHDSACASA-N 1 0 209.289 1.556 40 0 BDABRO Cc1ccc([C@H]2CCC[N@H+](CCO)C2)nc1 ZINC000072381328 384216766 /nfs/dbraw/zinc/21/67/66/384216766.db2.gz KQZXWJZCXZNLEG-LBPRGKRZSA-N 1 0 220.316 1.562 40 0 BDABRO Cc1cc(C)nc(C2CC[NH+](C)CC2)n1 ZINC000072381294 384217426 /nfs/dbraw/zinc/21/74/26/384217426.db2.gz JBZNETCFJMAFTK-UHFFFAOYSA-N 1 0 205.305 1.903 40 0 BDABRO Cn1ccnc1C[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000072381943 384218605 /nfs/dbraw/zinc/21/86/05/384218605.db2.gz ICIQXDBUKQZMMQ-GFCCVEGCSA-N 1 0 249.358 1.464 40 0 BDABRO CNc1c(N)c[nH+]cc1Br ZINC000042750178 384240783 /nfs/dbraw/zinc/24/07/83/384240783.db2.gz CEEXBFOWCDXSEN-UHFFFAOYSA-N 1 0 202.055 1.468 40 0 BDABRO CN(C)Cc1nc(CCSC[NH3+])cs1 ZINC000095869936 384402845 /nfs/dbraw/zinc/40/28/45/384402845.db2.gz PMULGRAOYPJFST-UHFFFAOYSA-N 1 0 231.390 1.397 40 0 BDABRO c1ccc(COC2CC3(C[NH2+]C3)C2)cc1 ZINC000095935923 384415276 /nfs/dbraw/zinc/41/52/76/384415276.db2.gz DZYPAQIYPIBEFQ-UHFFFAOYSA-N 1 0 203.285 1.955 40 0 BDABRO O=C1NCCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096046688 384427311 /nfs/dbraw/zinc/42/73/11/384427311.db2.gz DLNPVSORRQRIJH-UHFFFAOYSA-N 1 0 234.299 1.382 40 0 BDABRO [NH3+]CCc1cc2nc(-c3cccs3)ccn2n1 ZINC000013998970 384380154 /nfs/dbraw/zinc/38/01/54/384380154.db2.gz ODLLUIJLIDWGCQ-UHFFFAOYSA-N 1 0 244.323 1.959 40 0 BDABRO Cc1cccc(-c2nnc([C@H](C)[NH3+])[nH]2)c1 ZINC000061843925 384383743 /nfs/dbraw/zinc/38/37/43/384383743.db2.gz KFMTYFZFDZWYFQ-QMMMGPOBSA-N 1 0 202.261 1.800 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]C[C@]2(C)C1 ZINC000095707990 384391370 /nfs/dbraw/zinc/39/13/70/384391370.db2.gz RKITXPQOOVWRNA-BXKDBHETSA-N 1 0 226.320 1.605 40 0 BDABRO CC(C)C(=O)N1CC[C@]2(CC[N@@H+]2CC2CC2)C1 ZINC000096228668 384447095 /nfs/dbraw/zinc/44/70/95/384447095.db2.gz QRXWRNDYILCRHC-AWEZNQCLSA-N 1 0 236.359 1.729 40 0 BDABRO CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccoc1 ZINC000096057756 384431439 /nfs/dbraw/zinc/43/14/39/384431439.db2.gz DEUPGONUQYHGQG-YNEHKIRRSA-N 1 0 237.299 1.658 40 0 BDABRO Nc1nc(N2CCCC2)cc(C2CC2)[nH+]1 ZINC000078404605 384443169 /nfs/dbraw/zinc/44/31/69/384443169.db2.gz QSMJLESEVXIQNG-UHFFFAOYSA-N 1 0 204.277 1.536 40 0 BDABRO CC(C)CCNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082317745 384666681 /nfs/dbraw/zinc/66/66/81/384666681.db2.gz ZLGQVLJYRKEMHU-LLVKDONJSA-N 1 0 212.337 1.491 40 0 BDABRO Cc1ccn([C@@H](C)[C@@H]2CCCN2CC[NH3+])n1 ZINC000022763116 384774082 /nfs/dbraw/zinc/77/40/82/384774082.db2.gz TZNNEOLHPHZQRJ-RYUDHWBXSA-N 1 0 222.336 1.176 40 0 BDABRO C[N@@H+]1C[C@H](CO)[C@H](c2ccc(F)cc2)C1 ZINC000080490221 384781418 /nfs/dbraw/zinc/78/14/18/384781418.db2.gz ZMPBLBRIIUTUJO-PWSUYJOCSA-N 1 0 209.264 1.463 40 0 BDABRO C[NH+]1CCC(O)(c2cc(F)cc(F)c2)CC1 ZINC000055192406 384872998 /nfs/dbraw/zinc/87/29/98/384872998.db2.gz VRBYAVKKOBUNGO-UHFFFAOYSA-N 1 0 227.254 1.878 40 0 BDABRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000026897866 384886761 /nfs/dbraw/zinc/88/67/61/384886761.db2.gz CGXXPDXKMSVIBS-AWEZNQCLSA-N 1 0 237.343 1.810 40 0 BDABRO [NH3+]CCc1nc(C2CC2)n2c1CCCC2 ZINC000083986044 384965408 /nfs/dbraw/zinc/96/54/08/384965408.db2.gz PJWORTZMFWHFMN-UHFFFAOYSA-N 1 0 205.305 1.598 40 0 BDABRO C[C@H]([NH3+])c1nc(COc2ccc(F)cc2)n[nH]1 ZINC000095534656 385047323 /nfs/dbraw/zinc/04/73/23/385047323.db2.gz MDNXJBKRXUJEIO-ZETCQYMHSA-N 1 0 236.250 1.543 40 0 BDABRO C[C@@H]1C[C@H]1C(=O)N1CCC2(CC([NH+](C)C)C2)C1 ZINC000108524941 385049598 /nfs/dbraw/zinc/04/95/98/385049598.db2.gz HZWNIUGPDMFZAR-KTEZZQQRSA-N 1 0 236.359 1.585 40 0 BDABRO CN(c1cc(Cl)ncn1)[C@H]1CCC[NH2+]C1 ZINC000072203516 385053453 /nfs/dbraw/zinc/05/34/53/385053453.db2.gz SPDWRJWKMFHTGN-QMMMGPOBSA-N 1 0 226.711 1.318 40 0 BDABRO Clc1ccc(CN[C@H]2CC[NH2+]C2)cn1 ZINC000072203651 385056055 /nfs/dbraw/zinc/05/60/55/385056055.db2.gz SEGUSOGTXBNIMQ-VIFPVBQESA-N 1 0 211.696 1.187 40 0 BDABRO Clc1ccc(CNC[C@H]2CCC[NH2+]2)cn1 ZINC000072203714 385057168 /nfs/dbraw/zinc/05/71/68/385057168.db2.gz DQSUQDDMLRERFZ-SNVBAGLBSA-N 1 0 225.723 1.577 40 0 BDABRO CCOC(=O)[C@H](N)C1([NH+](C)C)CCCCC1 ZINC000072210557 385067434 /nfs/dbraw/zinc/06/74/34/385067434.db2.gz LKRWCTUBXQMHBI-JTQLQIEISA-N 1 0 228.336 1.141 40 0 BDABRO CCOC(=O)[C@@H](CN)C(C)(C)[NH+](CC)CC ZINC000072210407 385067851 /nfs/dbraw/zinc/06/78/51/385067851.db2.gz IUKPPKDNBJULLZ-SNVBAGLBSA-N 1 0 230.352 1.245 40 0 BDABRO CCOC(=O)[C@@H](CN)C(C)(C)[NH+]1CCCCC1 ZINC000072210410 385068234 /nfs/dbraw/zinc/06/82/34/385068234.db2.gz CXMCKQVVDZAKDK-LLVKDONJSA-N 1 0 242.363 1.389 40 0 BDABRO CC(=O)N1CCCC[C@H]1c1cccnc1N ZINC000072212451 385075285 /nfs/dbraw/zinc/07/52/85/385075285.db2.gz PIORCWGHRNBLTK-NSHDSACASA-N 1 0 219.288 1.737 40 0 BDABRO CC[C@H](O)c1cnc(N2CCOCC2)cc1C ZINC000072223551 385113565 /nfs/dbraw/zinc/11/35/65/385113565.db2.gz DVULAWJQATUCFH-LBPRGKRZSA-N 1 0 236.315 1.670 40 0 BDABRO c1cnc(N2CCOCC2)c([C@@H]2CCCC[NH2+]2)c1 ZINC000072216234 385092732 /nfs/dbraw/zinc/09/27/32/385092732.db2.gz QTCZPIBEWSBKQO-ZDUSSCGKSA-N 1 0 247.342 1.733 40 0 BDABRO [NH3+]Cc1cnn(CC(F)(F)C(F)(F)F)c1 ZINC000096509090 385237822 /nfs/dbraw/zinc/23/78/22/385237822.db2.gz VXLIZNYEANOVSR-UHFFFAOYSA-N 1 0 229.152 1.539 40 0 BDABRO Cc1nc(C2CC2)cc(N2CCC([NH3+])CC2)n1 ZINC000096516888 385254650 /nfs/dbraw/zinc/25/46/50/385254650.db2.gz NGGQLPUKWKREAY-UHFFFAOYSA-N 1 0 232.331 1.590 40 0 BDABRO Cc1nc(C2CC2)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000096517003 385254734 /nfs/dbraw/zinc/25/47/34/385254734.db2.gz QULLAIXYHOPNAZ-NSHDSACASA-N 1 0 232.331 1.508 40 0 BDABRO COC(=O)c1ccc2c(c1)C[NH2+]CCC2 ZINC000096515742 385258344 /nfs/dbraw/zinc/25/83/44/385258344.db2.gz JUGDBGPNWMSSRX-UHFFFAOYSA-N 1 0 205.257 1.509 40 0 BDABRO Cc1noc(-c2cc([C@@H]3CCC[NH2+]C3)[nH]n2)n1 ZINC000096516111 385258531 /nfs/dbraw/zinc/25/85/31/385258531.db2.gz CAPLAOROKZWZFM-MRVPVSSYSA-N 1 0 233.275 1.235 40 0 BDABRO [NH3+]CCc1noc(-c2ccc(Cl)cc2)n1 ZINC000008729380 385264871 /nfs/dbraw/zinc/26/48/71/385264871.db2.gz QZGMQGCPEJEGNX-UHFFFAOYSA-N 1 0 223.663 1.891 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2cc(C3CC3)n[nH]2)C1 ZINC000096523559 385267755 /nfs/dbraw/zinc/26/77/55/385267755.db2.gz QQNRWURYYGPADG-SNVBAGLBSA-N 1 0 220.320 1.210 40 0 BDABRO Cc1noc(C)c1CCN1CCC[NH2+]CC1 ZINC000096523658 385269716 /nfs/dbraw/zinc/26/97/16/385269716.db2.gz CQNUCBGHUMYHRW-UHFFFAOYSA-N 1 0 223.320 1.129 40 0 BDABRO CC[C@H]([C@@H]([NH3+])c1ccc(C)cc1)S(C)(=O)=O ZINC000096524886 385277303 /nfs/dbraw/zinc/27/73/03/385277303.db2.gz UMDNLKUZIWUFBZ-NEPJUHHUSA-N 1 0 241.356 1.818 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1cccc(C)c1 ZINC000096524849 385278058 /nfs/dbraw/zinc/27/80/58/385278058.db2.gz CUAMCGFUXCZKCP-CMPLNLGQSA-N 1 0 241.356 1.818 40 0 BDABRO CC(C)[C@H](C[C@@H]1CCCC[NH2+]1)OC1COC1 ZINC000096530070 385285750 /nfs/dbraw/zinc/28/57/50/385285750.db2.gz ABEUXFLSJOQJDM-AAEUAGOBSA-N 1 0 227.348 1.959 40 0 BDABRO Cc1cc(N2CCCCC2)nc(NCC[NH3+])n1 ZINC000217507344 385325369 /nfs/dbraw/zinc/32/53/69/385325369.db2.gz FUNUZRKVTZKLBJ-UHFFFAOYSA-N 1 0 235.335 1.146 40 0 BDABRO C[NH2+][C@@H]1CCc2c1cnn2C1CCOCC1 ZINC000095098089 385483349 /nfs/dbraw/zinc/48/33/49/385483349.db2.gz YZBYINKFFJAPIC-LLVKDONJSA-N 1 0 221.304 1.441 40 0 BDABRO [NH3+]C[C@@]1(CO)C[C@H]1c1ccc(Cl)cc1 ZINC000062713472 385697283 /nfs/dbraw/zinc/69/72/83/385697283.db2.gz NJYRNIMNZFYCPB-WDEREUQCSA-N 1 0 211.692 1.765 40 0 BDABRO COc1cccc([C@H]2C[C@@]2(C[NH3+])CO)c1OC ZINC000062713532 385698114 /nfs/dbraw/zinc/69/81/14/385698114.db2.gz ZQDVKYSRTMLCHK-ZWNOBZJWSA-N 1 0 237.299 1.129 40 0 BDABRO COCCC[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717645 385723682 /nfs/dbraw/zinc/72/36/82/385723682.db2.gz OFUXZBKBJDYMCK-UHFFFAOYSA-N 1 0 238.335 1.423 40 0 BDABRO Cc1ccc2c(c1)CC[C@@]21COCC[NH2+]1 ZINC000306145467 385995066 /nfs/dbraw/zinc/99/50/66/385995066.db2.gz GAKWBNMOAPWBQT-CYBMUJFWSA-N 1 0 203.285 1.756 40 0 BDABRO [NH3+]CCc1ccc(OCC(F)F)cc1 ZINC000037755383 386102415 /nfs/dbraw/zinc/10/24/15/386102415.db2.gz YVGBKBBLQCBYEW-UHFFFAOYSA-N 1 0 201.216 1.832 40 0 BDABRO [NH3+]CCSc1n[nH]c(-c2cccs2)n1 ZINC000224978317 386160752 /nfs/dbraw/zinc/16/07/52/386160752.db2.gz XDZVHXIZQJTQTQ-UHFFFAOYSA-N 1 0 226.330 1.584 40 0 BDABRO O=Cc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000002563764 386402535 /nfs/dbraw/zinc/40/25/35/386402535.db2.gz SWOUPUJHCPEVHS-UHFFFAOYSA-N 1 0 205.257 1.630 40 0 BDABRO CC(C)n1ccnc1[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000242648992 386526464 /nfs/dbraw/zinc/52/64/64/386526464.db2.gz RPJSBYXOKWUVIT-QWRGUYRKSA-N 1 0 223.320 1.890 40 0 BDABRO CO[C@H]1Cn2cccc2C[N@@H+](C(C)C)C1 ZINC000248031530 386740857 /nfs/dbraw/zinc/74/08/57/386740857.db2.gz XQZXSUKWUNYVTD-LBPRGKRZSA-N 1 0 208.305 1.727 40 0 BDABRO CC[N@H+](CC[C@H]1CCOC1)CC(N)=O ZINC000331079261 386957331 /nfs/dbraw/zinc/95/73/31/386957331.db2.gz YARRYMTWQGOVSZ-VIFPVBQESA-N 1 0 200.282 1.270 40 0 BDABRO CCn1ncc2c1C[C@H](C(N)=[NH2+])CCC2 ZINC000575422205 387033415 /nfs/dbraw/zinc/03/34/15/387033415.db2.gz ALFFWJZUTZGAMW-MRVPVSSYSA-N 1 0 206.293 1.334 40 0 BDABRO CCCN1c2ccc(OCC[NH3+])cc2CCC1=O ZINC000218792215 387022959 /nfs/dbraw/zinc/02/29/59/387022959.db2.gz HNTHVFOLAXYFDF-UHFFFAOYSA-N 1 0 248.326 1.713 40 0 BDABRO C[C@H]1CC[NH2+][C@@H]1c1nc2c(cccc2C(N)=O)[nH]1 ZINC000521205744 387124942 /nfs/dbraw/zinc/12/49/42/387124942.db2.gz FXRVOXLVQCUUGN-XVKPBYJWSA-N 1 0 244.298 1.332 40 0 BDABRO Cc1nn(C)cc1C[NH2+]Cc1cnn(C)c1C ZINC000020349856 387848761 /nfs/dbraw/zinc/84/87/61/387848761.db2.gz OUJADYXNWUGJSC-UHFFFAOYSA-N 1 0 233.319 1.060 40 0 BDABRO CC(C)n1cc(C[NH2+]CCN(C)C)cn1 ZINC000226645206 387856903 /nfs/dbraw/zinc/85/69/03/387856903.db2.gz MQKDGZBJPAYXLS-UHFFFAOYSA-N 1 0 210.325 1.115 40 0 BDABRO Cn1cc(C[NH2+]Cc2ccc(F)s2)cn1 ZINC000256052406 387860236 /nfs/dbraw/zinc/86/02/36/387860236.db2.gz NDXFKWUSKZKBAK-UHFFFAOYSA-N 1 0 225.292 1.911 40 0 BDABRO CC[C@@H](C)n1nccc1C[NH2+]CCCCO ZINC000256055154 387862721 /nfs/dbraw/zinc/86/27/21/387862721.db2.gz ZLMWFKSYUVBGGS-LLVKDONJSA-N 1 0 225.336 1.716 40 0 BDABRO CCn1ccnc1[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000083721110 256562303 /nfs/dbraw/zinc/56/23/03/256562303.db2.gz ZIUURKZUGRXXDW-NXEZZACHSA-N 1 0 209.293 1.329 40 0 BDABRO CCS(=O)(=O)C[C@@H](C[NH3+])C1CCCC1 ZINC000217771107 388381128 /nfs/dbraw/zinc/38/11/28/388381128.db2.gz KBGKJZUZMTZQAD-SNVBAGLBSA-N 1 0 219.350 1.186 40 0 BDABRO [NH3+]CCn1cc(NC2=NCCCCC2)cn1 ZINC000217813268 388381468 /nfs/dbraw/zinc/38/14/68/388381468.db2.gz RJODCUBRNFAFHM-UHFFFAOYSA-N 1 0 221.308 1.226 40 0 BDABRO CCC[C@H]1C[C@H](O)C[N@@H+]1CCOCC ZINC000217877524 388382857 /nfs/dbraw/zinc/38/28/57/388382857.db2.gz GPEHGFXDSBXEBE-QWRGUYRKSA-N 1 0 201.310 1.258 40 0 BDABRO CCCOc1ccc([C@@H]2CN(C)C[C@H]2[NH3+])cc1 ZINC000242522399 388398676 /nfs/dbraw/zinc/39/86/76/388398676.db2.gz IQRLYFZCLWBADM-UONOGXRCSA-N 1 0 234.343 1.832 40 0 BDABRO [NH3+]CCS(=O)(=O)Cc1ccccc1Cl ZINC000026509233 388441759 /nfs/dbraw/zinc/44/17/59/388441759.db2.gz NSNUZMQZTWOFFX-UHFFFAOYSA-N 1 0 233.720 1.214 40 0 BDABRO C[NH+](C)[C@H]1C[C@@H](Cc2cc(CO)on2)C1(C)C ZINC000077262238 388582049 /nfs/dbraw/zinc/58/20/49/388582049.db2.gz DLDLWOWCOKBCLN-SKDRFNHKSA-N 1 0 238.331 1.686 40 0 biogenic,in-vitro BDABRO Cc1ccc([C@@H](C)O[C@@H]2CC[NH2+]C2)cn1 ZINC000252478451 388652414 /nfs/dbraw/zinc/65/24/14/388652414.db2.gz AMQJQFCZDRKDBV-ZYHUDNBSSA-N 1 0 206.289 1.830 40 0 BDABRO CNc1ncc(C[NH2+]Cc2ccncc2)cn1 ZINC000062717479 388655794 /nfs/dbraw/zinc/65/57/94/388655794.db2.gz AIISHJOCFOFVGS-UHFFFAOYSA-N 1 0 229.287 1.203 40 0 BDABRO CC(C)Nc1ncc(C[NH2+]C2CC2)cn1 ZINC000062717627 388655904 /nfs/dbraw/zinc/65/59/04/388655904.db2.gz WXCDZCLXDDBVNX-UHFFFAOYSA-N 1 0 206.293 1.549 40 0 BDABRO C[C@H](NC1CC[NH2+]CC1)c1nccs1 ZINC000070633999 388731002 /nfs/dbraw/zinc/73/10/02/388731002.db2.gz CZUWLKVCZMANGS-QMMMGPOBSA-N 1 0 211.334 1.546 40 0 BDABRO [NH3+][C@H]1CCCc2[nH]nc(C(F)(F)F)c21 ZINC000082825931 388731209 /nfs/dbraw/zinc/73/12/09/388731209.db2.gz FOXVBBIJILXKSI-BYPYZUCNSA-N 1 0 205.183 1.765 40 0 BDABRO C[C@H]([NH3+])c1nnc(-c2cccc(O)c2)[nH]1 ZINC000095534644 388778988 /nfs/dbraw/zinc/77/89/88/388778988.db2.gz KNMZJDKVONFTSX-LURJTMIESA-N 1 0 204.233 1.197 40 0 BDABRO C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000095619276 388779495 /nfs/dbraw/zinc/77/94/95/388779495.db2.gz LUQRIHNQYMTUHD-QMMMGPOBSA-N 1 0 243.104 1.195 40 0 BDABRO CCC1([NH3+])COC(c2ccccc2)OC1 ZINC000001698698 388830853 /nfs/dbraw/zinc/83/08/53/388830853.db2.gz JHIAKAZJCSUZRH-UHFFFAOYSA-N 1 0 207.273 1.840 40 0 BDABRO CC(C)OCCCN1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000225716013 388840664 /nfs/dbraw/zinc/84/06/64/388840664.db2.gz SHGHLIYBOOHATO-OLZOCXBDSA-N 1 0 226.364 1.628 40 0 BDABRO COCCC[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225711683 388841411 /nfs/dbraw/zinc/84/14/11/388841411.db2.gz VYWZRUFXEWYJCB-NEPJUHHUSA-N 1 0 212.337 1.239 40 0 BDABRO C[C@@H]1CN(c2ccc(Cl)cn2)CC[NH2+]1 ZINC000052783325 132362470 /nfs/dbraw/zinc/36/24/70/132362470.db2.gz QOECGVDYZAXYTF-MRVPVSSYSA-N 1 0 211.696 1.533 40 0 BDABRO c1ccc(N2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000022029036 132332334 /nfs/dbraw/zinc/33/23/34/132332334.db2.gz LJGYWQOIKLPHKQ-UHFFFAOYSA-N 1 0 245.370 1.561 40 0 BDABRO C[C@H]1C[N@H+](CCO)CCN1c1ccccc1 ZINC000031938338 132334683 /nfs/dbraw/zinc/33/46/83/132334683.db2.gz XUUWFNWHQSONHA-LBPRGKRZSA-N 1 0 220.316 1.189 40 0 in-vitro BDABRO CSc1nccc(N2CCC([NH3+])CC2)n1 ZINC000072203043 132396188 /nfs/dbraw/zinc/39/61/88/132396188.db2.gz LTUKBAHBQVEGQF-UHFFFAOYSA-N 1 0 224.333 1.126 40 0 BDABRO CSc1nc(Cl)cc(N2CC[NH2+]CC2)n1 ZINC000072203122 132396288 /nfs/dbraw/zinc/39/62/88/132396288.db2.gz DYVHKSNMQBNOOF-UHFFFAOYSA-N 1 0 244.751 1.262 40 0 BDABRO Cc1cnc(N2CC[NH2+][C@@H](C)C2)nc1Cl ZINC000072203413 132396481 /nfs/dbraw/zinc/39/64/81/132396481.db2.gz JHEURMRMMBAQQM-QMMMGPOBSA-N 1 0 226.711 1.237 40 0 BDABRO CCOc1cc(N2CCC(C[NH3+])CC2)ncn1 ZINC000079438986 132412196 /nfs/dbraw/zinc/41/21/96/132412196.db2.gz WUTRGOWLCDKPFQ-UHFFFAOYSA-N 1 0 236.319 1.050 40 0 BDABRO O=C(NCc1ccccc1)[C@@H]1CCCCC[NH2+]1 ZINC000080993133 135385194 /nfs/dbraw/zinc/38/51/94/135385194.db2.gz OXQFOOZJQDWKBW-ZDUSSCGKSA-N 1 0 232.327 1.835 40 0 BDABRO CCN(CC)C(=O)COc1cccc(C[NH3+])c1 ZINC000022141012 397972313 /nfs/dbraw/zinc/97/23/13/397972313.db2.gz JHQLLOSIWCAVDC-UHFFFAOYSA-N 1 0 236.315 1.393 40 0 BDABRO CCOC(=O)[C@@H](N)C1([NH+](C)C)CCCCC1 ZINC000072210558 322906355 /nfs/dbraw/zinc/90/63/55/322906355.db2.gz LKRWCTUBXQMHBI-SNVBAGLBSA-N 1 0 228.336 1.141 40 0 BDABRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000034409226 166658724 /nfs/dbraw/zinc/65/87/24/166658724.db2.gz NZJKEPNCNBWESN-PBINXNQUSA-N 1 0 226.320 1.876 40 0 BDABRO CC(C)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000037852119 167007280 /nfs/dbraw/zinc/00/72/80/167007280.db2.gz PCWOYFOFYXQUGK-LLVKDONJSA-N 1 0 227.304 1.403 40 0 BDABRO CC(C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000070906104 167095700 /nfs/dbraw/zinc/09/57/00/167095700.db2.gz DRLGAXOTTPDTQZ-UHFFFAOYSA-N 1 0 214.309 1.604 40 0 BDABRO CCN1C=CC(=c2nc3c(o2)=CC(=[NH2+])C=C3)C=C1 ZINC000409416120 411198493 /nfs/dbraw/zinc/19/84/93/411198493.db2.gz CFJSPADDZQUMFI-UHFFFAOYSA-N 1 0 239.278 1.015 40 0 BDABRO CCn1nc(N)cc1C[N@@H+]1CCCC[C@@H]1C ZINC000408717394 411258239 /nfs/dbraw/zinc/25/82/39/411258239.db2.gz ZKTAGXCYRVNOHW-JTQLQIEISA-N 1 0 222.336 1.860 40 0 BDABRO CC1([C@@H]([NH3+])Cc2c[nH]c3ccccc23)OCCO1 ZINC000002044836 168071910 /nfs/dbraw/zinc/07/19/10/168071910.db2.gz LIIUBAAOXQOUJT-ZDUSSCGKSA-N 1 0 246.310 1.801 40 0 BDABRO CCC(=O)NCCCC[NH+]1CCCCC1 ZINC000001641603 168228334 /nfs/dbraw/zinc/22/83/34/168228334.db2.gz UZQLMBREQLVPOH-UHFFFAOYSA-N 1 0 212.337 1.779 40 0 BDABRO CC(C)n1nc(CN(C)C)c2c1C[NH2+]CC2 ZINC000306128052 411509004 /nfs/dbraw/zinc/50/90/04/411509004.db2.gz GOTGQYDUCFPOLK-UHFFFAOYSA-N 1 0 222.336 1.171 40 0 BDABRO CCN1CCOC[C@H]1C[NH2+]Cc1ccccc1 ZINC000217465208 170003637 /nfs/dbraw/zinc/00/36/37/170003637.db2.gz UCTQYSKORMBIOG-CQSZACIVSA-N 1 0 234.343 1.497 40 0 BDABRO CC[NH2+]CC(=O)Nc1c(C)ccc(O)c1C ZINC000030731121 170109707 /nfs/dbraw/zinc/10/97/07/170109707.db2.gz YITCMQBVWIHTTA-UHFFFAOYSA-N 1 0 222.288 1.557 40 0 world BDABRO CC[NH2+]C[C@@H](O)Cc1ccc(OCC)cc1 ZINC000006385324 170118822 /nfs/dbraw/zinc/11/88/22/170118822.db2.gz HKYZLIIHRQZPDD-LBPRGKRZSA-N 1 0 223.316 1.598 40 0 BDABRO CC[NH2+]Cc1cc(C)n(CCOC)c1C ZINC000223660176 170125700 /nfs/dbraw/zinc/12/57/00/170125700.db2.gz QYFZZEUEIOQJTO-UHFFFAOYSA-N 1 0 210.321 1.861 40 0 BDABRO CCOC(=O)C[C@H]([NH3+])Cc1ccccc1O ZINC000199566801 170233567 /nfs/dbraw/zinc/23/35/67/170233567.db2.gz KSFGTHNYJKUWHF-SNVBAGLBSA-N 1 0 223.272 1.215 40 0 BDABRO CCOC(=O)[C@H]1C[NH2+]C[C@H]2CCCC[C@@H]12 ZINC000306139615 170282210 /nfs/dbraw/zinc/28/22/10/170282210.db2.gz TVVSTLWLDOBLBA-MXWKQRLJSA-N 1 0 211.305 1.575 40 0 BDABRO CCOCC[N@@H+]1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257253364 170399444 /nfs/dbraw/zinc/39/94/44/170399444.db2.gz JYPGHPLGFHOVRY-GFCCVEGCSA-N 1 0 237.347 1.701 40 0 BDABRO CCOc1ccccc1CN1CC[C@H]([NH3+])C1 ZINC000039098837 170591692 /nfs/dbraw/zinc/59/16/92/170591692.db2.gz DTFIYULXVYIYQR-LBPRGKRZSA-N 1 0 220.316 1.618 40 0 BDABRO CCOc1ccccc1C[C@H](C[NH3+])CO ZINC000011978524 170593911 /nfs/dbraw/zinc/59/39/11/170593911.db2.gz NLJBZQZPTCQYMH-SNVBAGLBSA-N 1 0 209.289 1.195 40 0 BDABRO C[C@@H]1CCCC[N@@H+]1Cc1cc(N)nn1C ZINC000408717134 411904409 /nfs/dbraw/zinc/90/44/09/411904409.db2.gz WDCJVLGDBRASLM-SECBINFHSA-N 1 0 208.309 1.377 40 0 BDABRO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000022130033 171066213 /nfs/dbraw/zinc/06/62/13/171066213.db2.gz XYJMNRWKGUVPQP-ZJUUUORDSA-N 1 0 228.336 1.981 40 0 BDABRO CC[C@H](C(=O)OC)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000035655757 171241665 /nfs/dbraw/zinc/24/16/65/171241665.db2.gz JDLXWZOSNRKHLR-GARJFASQSA-N 1 0 213.321 1.916 40 0 BDABRO CC[C@H](C)[C@@H]([NH3+])c1nc2cnccc2c(=O)[nH]1 ZINC000096510447 171372715 /nfs/dbraw/zinc/37/27/15/171372715.db2.gz JQTFBPXJFVGEPQ-OIBJUYFYSA-N 1 0 232.287 1.776 40 0 BDABRO CCn1cc(-c2nc(C[NH3+])cs2)c(C)n1 ZINC000095093941 172149427 /nfs/dbraw/zinc/14/94/27/172149427.db2.gz PZAIDNKXPGJPTG-UHFFFAOYSA-N 1 0 222.317 1.794 40 0 BDABRO CCn1cc(CN(C)C[C@H]([NH3+])C(C)C)c(C)n1 ZINC000096523753 172163439 /nfs/dbraw/zinc/16/34/39/172163439.db2.gz IOVHKFXIYRLNQE-ZDUSSCGKSA-N 1 0 238.379 1.627 40 0 BDABRO CCn1nc([C@H](O)C2(C[NH3+])CCC2)cc1C ZINC000085395985 172250802 /nfs/dbraw/zinc/25/08/02/172250802.db2.gz GFHNXVALQIENKN-NSHDSACASA-N 1 0 223.320 1.374 40 0 BDABRO CCn1ncc(C)c1C[NH2+]Cc1cnn(C)c1 ZINC000256051319 172254562 /nfs/dbraw/zinc/25/45/62/172254562.db2.gz IRFNBKPJIDPORR-UHFFFAOYSA-N 1 0 233.319 1.235 40 0 BDABRO CN(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010366234 172389810 /nfs/dbraw/zinc/38/98/10/172389810.db2.gz XRHPHIVEELEYLV-UHFFFAOYSA-N 1 0 232.327 1.984 40 0 BDABRO CN1CC[N@H+](C)CC(COCc2ccccc2)C1 ZINC000072374459 173072380 /nfs/dbraw/zinc/07/23/80/173072380.db2.gz KSKMFEGCVSIIOY-UHFFFAOYSA-N 1 0 248.370 1.697 40 0 BDABRO C[NH+]1C[C@@H]2CN(C(=O)Cc3ccccc3)C[C@H]2C1 ZINC000063527584 173188229 /nfs/dbraw/zinc/18/82/29/173188229.db2.gz ZHSCMOMDLZUXSV-ZIAGYGMSSA-N 1 0 244.338 1.249 40 0 BDABRO CNC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000217526511 173297420 /nfs/dbraw/zinc/29/74/20/173297420.db2.gz JAHOELAZMQBMSO-OLZOCXBDSA-N 1 0 232.327 1.658 40 0 BDABRO C[NH2+]CC(=O)N1CCC[C@@H](c2cccc(C)n2)C1 ZINC000072383406 173326318 /nfs/dbraw/zinc/32/63/18/173326318.db2.gz JSQRWVAVNZELBT-GFCCVEGCSA-N 1 0 247.342 1.315 40 0 BDABRO C[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000031760988 173394404 /nfs/dbraw/zinc/39/44/04/173394404.db2.gz OSWPWNLULQWKAH-UHFFFAOYSA-N 1 0 249.339 1.583 40 0 BDABRO C[NH2+][C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000076675802 173440411 /nfs/dbraw/zinc/44/04/11/173440411.db2.gz CAJKOHIICQBLKG-LBPRGKRZSA-N 1 0 228.336 1.995 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccsc1 ZINC000095942467 173823513 /nfs/dbraw/zinc/82/35/13/173823513.db2.gz SKHDMTAEEVBFQP-IUCAKERBSA-N 1 0 211.286 1.224 40 0 BDABRO COC(=O)c1cccc2c1OCC[C@H]2[NH3+] ZINC000016082978 173897717 /nfs/dbraw/zinc/89/77/17/173897717.db2.gz HABSOTRIGFLRPC-SECBINFHSA-N 1 0 207.229 1.256 40 0 BDABRO COC(=O)c1cccnc1N[C@@H]1CCC[NH2+]C1 ZINC000040434923 173902664 /nfs/dbraw/zinc/90/26/64/173902664.db2.gz VNYLXIAUJMLAII-SECBINFHSA-N 1 0 235.287 1.032 40 0 BDABRO COCCCn1cccc1[C@@H]1CCC[NH2+]1 ZINC000225307653 174266426 /nfs/dbraw/zinc/26/64/26/174266426.db2.gz IELAZZHYPLXARL-NSHDSACASA-N 1 0 208.305 1.949 40 0 BDABRO COCC[NH+]1CCC(n2nc(C)cc2C)CC1 ZINC000072367889 174305646 /nfs/dbraw/zinc/30/56/46/174305646.db2.gz BGNHJUNJYXUGGS-UHFFFAOYSA-N 1 0 237.347 1.783 40 0 BDABRO COCC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000072381555 174306548 /nfs/dbraw/zinc/30/65/48/174306548.db2.gz JGVCNWJMZAKSTH-GFCCVEGCSA-N 1 0 220.316 1.907 40 0 BDABRO COCC[N@@H+]1C[C@@H](O)C[C@@H]1CC(C)C ZINC000217886557 174318511 /nfs/dbraw/zinc/31/85/11/174318511.db2.gz KCSROKQMPMKGEU-QWRGUYRKSA-N 1 0 201.310 1.114 40 0 BDABRO COCC[NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000004969255 174331119 /nfs/dbraw/zinc/33/11/19/174331119.db2.gz HLZQRKRMRYSUIX-GHMZBOCLSA-N 1 0 228.336 1.012 40 0 BDABRO COCC[NH2+]Cc1ccn(C(C)(C)C)c1 ZINC000223695711 174335806 /nfs/dbraw/zinc/33/58/06/174335806.db2.gz PLAJJCQPJRIAAU-UHFFFAOYSA-N 1 0 210.321 1.979 40 0 BDABRO COCCNc1ccnc(C2CC[NH2+]CC2)c1 ZINC000072386640 174341468 /nfs/dbraw/zinc/34/14/68/174341468.db2.gz OKIBVZXVYCEWDZ-UHFFFAOYSA-N 1 0 235.331 1.607 40 0 BDABRO COc1ccc(-c2c(N)n[nH]c2C[NH+](C)C)cc1 ZINC000026511492 175029731 /nfs/dbraw/zinc/02/97/31/175029731.db2.gz HXGDRVLXHIMUAI-UHFFFAOYSA-N 1 0 246.314 1.729 40 0 BDABRO COc1ccc(C)cc1NC(=O)C1CC[NH2+]CC1 ZINC000019410988 175077703 /nfs/dbraw/zinc/07/77/03/175077703.db2.gz CEEGZPLEIODGGQ-UHFFFAOYSA-N 1 0 248.326 1.942 40 0 BDABRO COc1ccc(C[C@H](C)N2CC(=O)[O+]=N2)cc1 ZINC000001620650 175117266 /nfs/dbraw/zinc/11/72/66/175117266.db2.gz UBAFMXOCEUGKOR-VIFPVBQESA-O 1 0 235.263 1.480 40 0 BDABRO COc1ccc(F)c(CN2CC[C@H]([NH3+])C2)c1 ZINC000038539002 175124974 /nfs/dbraw/zinc/12/49/74/175124974.db2.gz YWHRNYUPMVVYAR-JTQLQIEISA-N 1 0 224.279 1.367 40 0 BDABRO COc1ccc([C@@H]2C[C@H]2C[NH3+])cc1OC ZINC000041215826 175185282 /nfs/dbraw/zinc/18/52/82/175185282.db2.gz RAUYVYKEMYHHJA-UWVGGRQHSA-N 1 0 207.273 1.766 40 0 BDABRO COc1ccc2c(c1)CCC[C@]21COCC[NH2+]1 ZINC000306145670 175208835 /nfs/dbraw/zinc/20/88/35/175208835.db2.gz MXMDQXZXLXWSDW-AWEZNQCLSA-N 1 0 233.311 1.847 40 0 BDABRO COc1ccc2c(c1)CN(C1CC[NH2+]CC1)C2=O ZINC000098214152 175210010 /nfs/dbraw/zinc/21/00/10/175210010.db2.gz CLRNUURJDDBARJ-UHFFFAOYSA-N 1 0 246.310 1.403 40 0 BDABRO COc1ccc2c(c1)COC21CC[NH2+]CC1 ZINC000096029479 175210510 /nfs/dbraw/zinc/21/05/10/175210510.db2.gz DHGQCMZFHFAGFW-UHFFFAOYSA-N 1 0 219.284 1.804 40 0 BDABRO COc1cccc(-c2nc(C)c(C[NH3+])c(=O)[nH]2)c1 ZINC000084557181 175236543 /nfs/dbraw/zinc/23/65/43/175236543.db2.gz WTYSZTBSEZKDQQ-UHFFFAOYSA-N 1 0 245.282 1.213 40 0 BDABRO COc1cccc(CN2CC[C@H]([NH3+])C2)c1OC ZINC000050227923 175259875 /nfs/dbraw/zinc/25/98/75/175259875.db2.gz KZFGIBKFTVTJGV-NSHDSACASA-N 1 0 236.315 1.237 40 0 BDABRO COc1ccccc1[C@H]1C[C@H]2CC[C@H]([NH2+]2)[C@@H]1O ZINC000057467102 175355459 /nfs/dbraw/zinc/35/54/59/175355459.db2.gz ZIUHFKNTAABPLR-SGESHTKJSA-N 1 0 233.311 1.664 40 0 BDABRO C[C@@H](c1ccccn1)N(C(=O)C[NH3+])C1CC1 ZINC000079421800 176025774 /nfs/dbraw/zinc/02/57/74/176025774.db2.gz VNKNPDZPCDERBJ-VIFPVBQESA-N 1 0 219.288 1.092 40 0 BDABRO C[C@@H]1CN(C(=O)CCC2CCCC2)CC[NH2+]1 ZINC000067799323 176244771 /nfs/dbraw/zinc/24/47/71/176244771.db2.gz IGVPCETVEVOYFJ-LLVKDONJSA-N 1 0 224.348 1.777 40 0 BDABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(F)cc1F ZINC000054374549 176326489 /nfs/dbraw/zinc/32/64/89/176326489.db2.gz AJANSCODQWKDSA-SECBINFHSA-N 1 0 226.270 1.759 40 0 BDABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)nc1 ZINC000054372139 176326807 /nfs/dbraw/zinc/32/68/07/176326807.db2.gz HLPWSUZEVFWXAB-SECBINFHSA-N 1 0 225.723 1.529 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C/C=C/c1ccccc1 ZINC000054371985 176327195 /nfs/dbraw/zinc/32/71/95/176327195.db2.gz VLQWQIOKDHGDGO-OQHXTRMZSA-N 1 0 216.328 1.994 40 0 BDABRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000084237617 176329173 /nfs/dbraw/zinc/32/91/73/176329173.db2.gz WIBUZVNGCRFGHO-VHSXEESVSA-N 1 0 228.336 1.757 40 0 BDABRO C[C@@H]1CS(=O)(=O)c2ccccc2[C@@H]1[NH3+] ZINC000035755629 176349467 /nfs/dbraw/zinc/34/94/67/176349467.db2.gz NKQDYSFBXSCBFA-GMSGAONNSA-N 1 0 211.286 1.110 40 0 BDABRO C[C@H]([NH3+])C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000057536002 176749469 /nfs/dbraw/zinc/74/94/69/176749469.db2.gz LVWBOZRNIFQQNA-LURJTMIESA-N 1 0 247.125 1.957 40 0 BDABRO C[C@H](c1ccc(F)cc1)N(C(=O)C[NH3+])C1CC1 ZINC000079421203 177034295 /nfs/dbraw/zinc/03/42/95/177034295.db2.gz XYGUUUJMNWHOHC-SECBINFHSA-N 1 0 236.290 1.836 40 0 BDABRO C[C@H](c1ccccn1)[N@H+](CCO)C1CC1 ZINC000079421746 177043644 /nfs/dbraw/zinc/04/36/44/177043644.db2.gz UKWMZJHUYLTXTR-SNVBAGLBSA-N 1 0 206.289 1.599 40 0 BDABRO C[C@H](c1ccccn1)[N@@H+]1CCCC[C@@H]1CO ZINC000072203956 177043828 /nfs/dbraw/zinc/04/38/28/177043828.db2.gz TZMPUWQLONXYTH-VXGBXAGGSA-N 1 0 220.316 1.989 40 0 BDABRO C[C@H](c1cnccn1)[NH+]1CCC(CO)CC1 ZINC000072203848 177050844 /nfs/dbraw/zinc/05/08/44/177050844.db2.gz QRLONDWFCDODGS-SNVBAGLBSA-N 1 0 221.304 1.242 40 0 BDABRO C[C@H](c1cnccn1)N1CCCC[C@@H]1C[NH3+] ZINC000070026284 177051292 /nfs/dbraw/zinc/05/12/92/177051292.db2.gz TXAUAHKBMGAYJU-GHMZBOCLSA-N 1 0 220.320 1.351 40 0 BDABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccn1 ZINC000072397522 177280639 /nfs/dbraw/zinc/28/06/39/177280639.db2.gz FYKVCSDPYMFQBU-GXTWGEPZSA-N 1 0 231.343 1.750 40 0 BDABRO Cc1c(NC(=O)OCC(C)C)[s+]nn1C ZINC000256055814 177616569 /nfs/dbraw/zinc/61/65/69/177616569.db2.gz VIGGFZQRAQYMFS-UHFFFAOYSA-O 1 0 230.313 1.481 40 0 BDABRO CC(C)(C)OC(=O)N1[C@H](C[NH3+])COC1(C)C ZINC000072208926 488058763 /nfs/dbraw/zinc/05/87/63/488058763.db2.gz PCVMBAOWKUKBRU-MRVPVSSYSA-N 1 0 230.308 1.317 40 0 BDABRO CC(C)(C)OC(=O)Nc1cncc(CC[NH3+])n1 ZINC000228941895 518844447 /nfs/dbraw/zinc/84/44/47/518844447.db2.gz KBPDHCLLAFJYHF-UHFFFAOYSA-N 1 0 238.291 1.325 40 0 BDABRO CC(C)c1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2C)cc1 ZINC000225776080 519836770 /nfs/dbraw/zinc/83/67/70/519836770.db2.gz ZFJRRHWMTSTSBR-SKDRFNHKSA-N 1 0 218.300 1.872 40 0 BDABRO CC[NH+](CC)CCNCc1ccccn1 ZINC000019919685 520687926 /nfs/dbraw/zinc/68/79/26/520687926.db2.gz NTYBDAULOJMFNT-UHFFFAOYSA-N 1 0 207.321 1.513 40 0 BDABRO COCC[NH2+]Cc1ccc(Cc2ccco2)n1C ZINC000226021353 523951849 /nfs/dbraw/zinc/95/18/49/523951849.db2.gz CUOCJBBFEABXJX-UHFFFAOYSA-N 1 0 248.326 1.945 40 0 BDABRO Cc1cccc(Cc2cn(C)c(N)[nH+]2)c1 ZINC000199550874 524472783 /nfs/dbraw/zinc/47/27/83/524472783.db2.gz NUYHQVOBYFPTIV-UHFFFAOYSA-N 1 0 201.273 1.902 40 0 BDABRO C[C@H]1[C@H]([NH3+])C(=O)N1c1ccc2ccccc2c1 ZINC000225776789 525104538 /nfs/dbraw/zinc/10/45/38/525104538.db2.gz BYHYCDUINMCLOR-ZANVPECISA-N 1 0 226.279 1.902 40 0 BDABRO COC(=O)c1ccccc1N1CC[NH2+][C@H](C)C1 ZINC000039952496 536819126 /nfs/dbraw/zinc/81/91/26/536819126.db2.gz ZTDQGCYWRDUEKR-SNVBAGLBSA-N 1 0 234.299 1.271 40 0 BDABRO C[NH+](C)CCNC(=O)c1ccc2c(c1)CCCC2 ZINC000074946454 592309979 /nfs/dbraw/zinc/30/99/79/592309979.db2.gz ITFDMLCMKDHNJV-UHFFFAOYSA-N 1 0 246.354 1.857 40 0 BDABRO C[N@@H+]1CC[C@H](c2ccccc2F)C(CO)C1 ZINC001560407646 991459804 /nfs/dbraw/zinc/45/98/04/991459804.db2.gz WXHLRTXCEVNABD-NSHDSACASA-N 1 0 222.283 1.812 40 0 BDABRO Clc1cccc(OC[C@@H]2C[NH2+]CCO2)c1 ZINC000070834082 398139986 /nfs/dbraw/zinc/13/99/86/398139986.db2.gz QPDQOUDOOAATJB-NSHDSACASA-N 1 0 227.691 1.707 40 0 BDABRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2[NH3+] ZINC000071373469 398147904 /nfs/dbraw/zinc/14/79/04/398147904.db2.gz JRZFZVWZIJNIEQ-DJLDLDEBSA-N 1 0 212.293 1.486 40 0 BDABRO Cc1cc(CN2C[C@H]3CC[NH2+][C@H]3C2)oc1C ZINC000096054076 178007901 /nfs/dbraw/zinc/00/79/01/178007901.db2.gz UDMWFUANDAFHCQ-YPMHNXCESA-N 1 0 220.316 1.690 40 0 BDABRO Cc1cc(F)ccc1CN1CC[C@H]([NH3+])C1 ZINC000038538934 178085163 /nfs/dbraw/zinc/08/51/63/178085163.db2.gz OYIDYQOCCWQVMH-LBPRGKRZSA-N 1 0 208.280 1.667 40 0 BDABRO Cc1cc(NC2CC[NH2+]CC2)nc(C)n1 ZINC000037756879 178154639 /nfs/dbraw/zinc/15/46/39/178154639.db2.gz AKNOBZMUGJIHKW-UHFFFAOYSA-N 1 0 206.293 1.257 40 0 BDABRO CC1(C(N)=O)CC[NH+](CCc2ccccc2)CC1 ZINC000257327805 187330575 /nfs/dbraw/zinc/33/05/75/187330575.db2.gz XCUIDQGNWBZHEN-UHFFFAOYSA-N 1 0 246.354 1.817 40 0 BDABRO C(C[C@@H]1CCOC12CC[NH2+]CC2)OCC1CC1 ZINC000247816237 187330642 /nfs/dbraw/zinc/33/06/42/187330642.db2.gz BJQZPVMXGTTZGM-CYBMUJFWSA-N 1 0 239.359 1.962 40 0 BDABRO Cc1ccc(C(=O)N2CCCCC2)c[n+]1C ZINC000001704383 178385693 /nfs/dbraw/zinc/38/56/93/178385693.db2.gz PRWWWAUPMXEKHL-UHFFFAOYSA-N 1 0 219.308 1.446 40 0 BDABRO c1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000082713857 398278511 /nfs/dbraw/zinc/27/85/11/398278511.db2.gz QPHJQCAPTXSDDP-CYBMUJFWSA-N 1 0 202.301 1.876 40 0 BDABRO CCN(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000001560212 342702733 /nfs/dbraw/zinc/70/27/33/342702733.db2.gz IGWNZHDOSCBVCM-PHIMTYICSA-N 1 0 225.336 1.227 40 0 BDABRO O=C1CCC[C@@H]2[C@@H]3C[C@H](CN12)[C@@H]1CCCC[N@@H+]1C3 ZINC000002556369 342724083 /nfs/dbraw/zinc/72/40/83/342724083.db2.gz JYIJIIVLEOETIQ-YIYPIFLZSA-N 1 0 248.370 1.872 40 0 biogenic,in-vitro BDABRO COc1cc(CSC(N)=[NH2+])cc(OC)c1 ZINC000004794958 342752412 /nfs/dbraw/zinc/75/24/12/342752412.db2.gz KCWCAJJIAFKBQV-UHFFFAOYSA-N 1 0 226.301 1.830 40 0 BDABRO Cc1cc(NC(=O)C[NH3+])n(-c2ccccc2)n1 ZINC000072220465 259319372 /nfs/dbraw/zinc/31/93/72/259319372.db2.gz HIJMDJZQGXPXIC-UHFFFAOYSA-N 1 0 230.271 1.078 40 0 BDABRO CCOc1cc(C[NH2+]C[C@H](C)O)ccc1OC ZINC000008254358 342797283 /nfs/dbraw/zinc/79/72/83/342797283.db2.gz LMMYOKIGQFGZSX-JTQLQIEISA-N 1 0 239.315 1.564 40 0 BDABRO C=Cc1cnc(N2CC[NH+](C)CC2)c(C)c1 ZINC000072222571 259320688 /nfs/dbraw/zinc/32/06/88/259320688.db2.gz VXQBNEJUAAWJPS-UHFFFAOYSA-N 1 0 217.316 1.785 40 0 BDABRO CC[NH+]1CCN(c2cc(C)c(CO)cn2)CC1 ZINC000072223620 259321469 /nfs/dbraw/zinc/32/14/69/259321469.db2.gz DECHRDWCXPQPGN-UHFFFAOYSA-N 1 0 235.331 1.024 40 0 BDABRO CC(C)[C@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000214628849 342838361 /nfs/dbraw/zinc/83/83/61/342838361.db2.gz FYITUPBGQPVDKA-JTQLQIEISA-N 1 0 228.336 1.837 40 0 BDABRO COc1ccc(OC[C@@H]2C[NH2+]CCO2)cc1 ZINC000011587415 342841493 /nfs/dbraw/zinc/84/14/93/342841493.db2.gz CPIIBXDVKCDHMA-LBPRGKRZSA-N 1 0 223.272 1.062 40 0 BDABRO Clc1ccc(OC[C@@H]2C[NH2+]CCO2)cc1 ZINC000011587419 342841572 /nfs/dbraw/zinc/84/15/72/342841572.db2.gz ILWYNRKIVGWHEG-NSHDSACASA-N 1 0 227.691 1.707 40 0 BDABRO OC[C@]12C[C@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000252497349 259326055 /nfs/dbraw/zinc/32/60/55/259326055.db2.gz QEQDGRHQLCINHT-KBPBESRZSA-N 1 0 217.312 1.891 40 0 BDABRO Cc1ccncc1N(C)C[C@@H]1CCCC[NH2+]1 ZINC000252497725 259326163 /nfs/dbraw/zinc/32/61/63/259326163.db2.gz QOKBTUXYOXREHS-LBPRGKRZSA-N 1 0 219.332 1.968 40 0 BDABRO Cc1ncccc1[C@H](C)O[C@H]1CC[NH2+]C1 ZINC000252500994 398302059 /nfs/dbraw/zinc/30/20/59/398302059.db2.gz UBBMGHNCAVFMTI-QWRGUYRKSA-N 1 0 206.289 1.830 40 0 BDABRO CCS(=O)(=O)C[C@@H]([NH3+])c1ccc(F)cc1 ZINC000075417160 398302750 /nfs/dbraw/zinc/30/27/50/398302750.db2.gz QDUPEQZBZGZJQZ-SNVBAGLBSA-N 1 0 231.292 1.260 40 0 BDABRO CCOC[C@H]1C[N@H+](CC2CC2)Cc2cnn(C)c21 ZINC000096060093 398312534 /nfs/dbraw/zinc/31/25/34/398312534.db2.gz SONKXFUNRVFJMJ-CYBMUJFWSA-N 1 0 249.358 1.766 40 0 BDABRO CCc1cc(OC)c(CC[NH3+])cc1OC ZINC000014985721 342890110 /nfs/dbraw/zinc/89/01/10/342890110.db2.gz VDRGNAMREYBIHA-UHFFFAOYSA-N 1 0 209.289 1.767 40 0 in-vitro BDABRO CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H](C)C1 ZINC000019422188 187206543 /nfs/dbraw/zinc/20/65/43/187206543.db2.gz KDRVLCAYVALHSW-QWRGUYRKSA-N 1 0 212.337 1.618 40 0 BDABRO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(O)c1 ZINC000259388533 343107385 /nfs/dbraw/zinc/10/73/85/343107385.db2.gz AFAUMTTXQAOWAJ-RYUDHWBXSA-N 1 0 235.283 1.258 40 0 BDABRO Cc1ccc(CN2CC(=O)[O+]=N2)cc1C ZINC000001684198 187245075 /nfs/dbraw/zinc/24/50/75/187245075.db2.gz MPXKEBISZXOXPI-UHFFFAOYSA-O 1 0 205.237 1.333 40 0 BDABRO C[N@@H+]1CCC=C(COC(=O)C(C)(C)C)C1 ZINC000001719724 187245256 /nfs/dbraw/zinc/24/52/56/187245256.db2.gz RODBCBOWDFPOOY-UHFFFAOYSA-N 1 0 211.305 1.838 40 0 BDABRO O[C@@]1(c2ccc(Br)cc2)CC[NH2+]C1 ZINC000033856541 343262107 /nfs/dbraw/zinc/26/21/07/343262107.db2.gz ZOWUXJAQNHPMGX-JTQLQIEISA-N 1 0 242.116 1.630 40 0 BDABRO CC(C)(C)c1nc(C2CC[NH2+]CC2)no1 ZINC000041218823 343320608 /nfs/dbraw/zinc/32/06/08/343320608.db2.gz DPDIKWZVJPXKGV-UHFFFAOYSA-N 1 0 209.293 1.834 40 0 BDABRO CSc1ccc(CN(C)C(=O)[C@H](C)[NH3+])cc1 ZINC000037798967 187260566 /nfs/dbraw/zinc/26/05/66/187260566.db2.gz FLBMCJGITVNEHL-VIFPVBQESA-N 1 0 238.356 1.714 40 0 BDABRO O=C1N(c2ccccc2)CC[C@@]12CCC[NH2+]C2 ZINC000044136467 343493048 /nfs/dbraw/zinc/49/30/48/343493048.db2.gz JLEUHUINVDJRAU-CQSZACIVSA-N 1 0 230.311 1.793 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@@H]1COCC[NH3+] ZINC000079390613 187263183 /nfs/dbraw/zinc/26/31/83/187263183.db2.gz YRLRLQNQBWSUMZ-SNVBAGLBSA-N 1 0 244.335 1.361 40 0 BDABRO O=c1oc2ccccc2n1C[C@@H]1CCC[NH2+]1 ZINC000043495860 187266897 /nfs/dbraw/zinc/26/68/97/187266897.db2.gz UCXNCMICQPERTN-VIFPVBQESA-N 1 0 218.256 1.347 40 0 BDABRO Cc1c[nH]c(NC(=[NH2+])N2CCCCC2)n1 ZINC000049474257 343599591 /nfs/dbraw/zinc/59/95/91/343599591.db2.gz QUJIKSNIFOKUEI-UHFFFAOYSA-N 1 0 207.281 1.551 40 0 BDABRO C[C@@H]([NH3+])c1ccc(-c2ccncc2)[nH]c1=O ZINC000253536061 349853424 /nfs/dbraw/zinc/85/34/24/349853424.db2.gz GBYDBOPSAXQUOD-MRVPVSSYSA-N 1 0 215.256 1.869 40 0 BDABRO CCCCc1noc(C2CC[NH2+]CC2)n1 ZINC000057340769 187272732 /nfs/dbraw/zinc/27/27/32/187272732.db2.gz QSKIZEWZYKSGLC-UHFFFAOYSA-N 1 0 209.293 1.879 40 0 BDABRO COCC1(C)CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000335237327 343791544 /nfs/dbraw/zinc/79/15/44/343791544.db2.gz AOPVWZOMKAFEPY-NSHDSACASA-N 1 0 240.347 1.014 40 0 BDABRO CC(=O)NC1(c2cccc(F)c2)CC[NH2+]CC1 ZINC000066054916 187274353 /nfs/dbraw/zinc/27/43/53/187274353.db2.gz WUAIMTABXPUBPV-UHFFFAOYSA-N 1 0 236.290 1.541 40 0 BDABRO C[NH2+]Cc1cnn(CC2CC(F)(F)C2)c1 ZINC000383400643 343810497 /nfs/dbraw/zinc/81/04/97/343810497.db2.gz SAUJKVUXWBRWOB-UHFFFAOYSA-N 1 0 215.247 1.648 40 0 BDABRO CCOc1ccccc1[C@H]1C[NH2+]C[C@@H]1N ZINC000396828552 343810756 /nfs/dbraw/zinc/81/07/56/343810756.db2.gz OXGKTTPGTUEUOF-MNOVXSKESA-N 1 0 206.289 1.099 40 0 BDABRO Cc1nc(N)c2ccc([C@H]3CCC[NH2+]3)nc2n1 ZINC000072343705 187276455 /nfs/dbraw/zinc/27/64/55/187276455.db2.gz JKIXTULEMVDAAB-SECBINFHSA-N 1 0 229.287 1.340 40 0 BDABRO C[NH2+]CCCc1cnn(CC2CCOCC2)c1 ZINC000575623413 343876038 /nfs/dbraw/zinc/87/60/38/343876038.db2.gz PSYPKVJBTMAQGY-UHFFFAOYSA-N 1 0 237.347 1.462 40 0 BDABRO Cc1noc(C)c1Cn1cc([C@@H](C)[NH3+])cn1 ZINC000575623482 343876345 /nfs/dbraw/zinc/87/63/45/343876345.db2.gz UJTNCEDTAIRDMK-SSDOTTSWSA-N 1 0 220.276 1.556 40 0 BDABRO Cc1nc(C)c(CO[C@H]2CC[NH2+]C2)s1 ZINC000585144643 343879600 /nfs/dbraw/zinc/87/96/00/343879600.db2.gz WHXVIPWMDFJVRD-VIFPVBQESA-N 1 0 212.318 1.638 40 0 BDABRO Cc1ccsc1C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000079440226 187281267 /nfs/dbraw/zinc/28/12/67/187281267.db2.gz CYCHHBNTGWHJAS-JTQLQIEISA-N 1 0 238.356 1.881 40 0 BDABRO O=C1C[C@]2(CN1)CCCC[N@@H+]2Cc1cccnc1 ZINC000306130637 187356439 /nfs/dbraw/zinc/35/64/39/187356439.db2.gz JLUBGWHGZRVKOE-AWEZNQCLSA-N 1 0 245.326 1.326 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nc(-c2cccnc2)n[nH]1 ZINC000095534725 187287338 /nfs/dbraw/zinc/28/73/38/187287338.db2.gz ZGGIALRZKSIUOT-SECBINFHSA-N 1 0 217.276 1.523 40 0 BDABRO C[C@H]1NCCn2c(COc3cccnc3)cnc21 ZINC000096207049 187288912 /nfs/dbraw/zinc/28/89/12/187288912.db2.gz WSVRXJRDXQQRHI-SNVBAGLBSA-N 1 0 244.298 1.521 40 0 BDABRO C[NH2+]C[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000054589276 259373786 /nfs/dbraw/zinc/37/37/86/259373786.db2.gz KOEDKUUFMBXKGV-GWCFXTLKSA-N 1 0 203.285 1.946 40 0 BDABRO C[NH2+]C[C@H]1C[C@]12CCOc1ccccc12 ZINC000054589281 259373874 /nfs/dbraw/zinc/37/38/74/259373874.db2.gz KOEDKUUFMBXKGV-ZWNOBZJWSA-N 1 0 203.285 1.946 40 0 BDABRO C=CC(=O)N1CC2(C1)CC[N@@H+](C(C)C)C2 ZINC000096070809 187289249 /nfs/dbraw/zinc/28/92/49/187289249.db2.gz DURPXMLBYNIYQX-UHFFFAOYSA-N 1 0 208.305 1.115 40 0 BDABRO Cc1c[nH]c(-c2cc([C@@H]3CC[NH2+]C3)nc(C)n2)n1 ZINC000585178837 344277192 /nfs/dbraw/zinc/27/71/92/344277192.db2.gz KVVAFHOIKKRAJU-SNVBAGLBSA-N 1 0 243.314 1.560 40 0 BDABRO CO[C@@]1(COc2ccccc2)C[NH2+]CCOC1 ZINC000585269095 344388289 /nfs/dbraw/zinc/38/82/89/344388289.db2.gz JXWJUZAMWKDPRI-ZDUSSCGKSA-N 1 0 237.299 1.070 40 0 BDABRO CC[N@@H+]1CCC[C@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217950 344513594 /nfs/dbraw/zinc/51/35/94/344513594.db2.gz QSBCNQZOGXYWCX-NSHDSACASA-N 1 0 206.289 1.840 40 0 BDABRO CC(C)(C)OC(=O)N[C@]1(C)CC[C@H]([NH3+])C1 ZINC000215737474 349915211 /nfs/dbraw/zinc/91/52/11/349915211.db2.gz IENWELREOWCTHU-GZMMTYOYSA-N 1 0 214.309 1.781 40 0 BDABRO O=C(OCC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000005001282 344895835 /nfs/dbraw/zinc/89/58/35/344895835.db2.gz FTWJGOCJSWKQEK-UHFFFAOYSA-N 1 0 237.274 1.982 40 0 BDABRO COc1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1 ZINC000335796162 187304305 /nfs/dbraw/zinc/30/43/05/187304305.db2.gz VPFRKLVMPRESEZ-ZDUSSCGKSA-N 1 0 235.327 1.898 40 0 BDABRO C[C@@]1(O)CC[NH2+]C[C@H]1N1CCc2ccccc2C1 ZINC000306046592 537909714 /nfs/dbraw/zinc/90/97/14/537909714.db2.gz TVUPGFUXRDARBK-HUUCEWRRSA-N 1 0 246.354 1.158 40 0 BDABRO Cc1sc2ccccc2[n+]1CCCO ZINC000004713924 346252702 /nfs/dbraw/zinc/25/27/02/346252702.db2.gz KOFXNNXHGMCHDF-UHFFFAOYSA-N 1 0 208.306 1.880 40 0 BDABRO Cn1c(CC[NH3+])nnc1SCc1ccccc1 ZINC000005000668 346256604 /nfs/dbraw/zinc/25/66/04/346256604.db2.gz OKQXZAKJKZBJLQ-UHFFFAOYSA-N 1 0 248.355 1.609 40 0 BDABRO CCCC[C@H]1C[C@H](O)C[N@@H+]1CCOCC ZINC000217881473 187318978 /nfs/dbraw/zinc/31/89/78/187318978.db2.gz CVWULBIVPMKHKA-RYUDHWBXSA-N 1 0 215.337 1.648 40 0 BDABRO Cc1cccc(C)c1OC[C@@H](O)C[NH+](C)C ZINC000005883955 179047515 /nfs/dbraw/zinc/04/75/15/179047515.db2.gz XZCXFOIIDDPGMK-LBPRGKRZSA-N 1 0 223.316 1.605 40 0 BDABRO CC(C)[N@@H+]1CC[C@@H](CO)N(C)c2cccnc2C1 ZINC000225496536 187320682 /nfs/dbraw/zinc/32/06/82/187320682.db2.gz FPPGMJBBFXOMIT-LBPRGKRZSA-N 1 0 249.358 1.493 40 0 biogenic,in-vitro BDABRO Cc1cccc([C@H]([NH3+])[C@H](C)S(C)(=O)=O)c1 ZINC000096524801 179199979 /nfs/dbraw/zinc/19/99/79/179199979.db2.gz DTDYLUSMEZVZIM-GXSJLCMTSA-N 1 0 227.329 1.428 40 0 BDABRO Cc1ccccc1-c1noc(CC[NH3+])n1 ZINC000008729118 179241453 /nfs/dbraw/zinc/24/14/53/179241453.db2.gz VJKRWRSCRWPYNI-UHFFFAOYSA-N 1 0 203.245 1.546 40 0 BDABRO Cc1ccccc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000062608757 179247067 /nfs/dbraw/zinc/24/70/67/179247067.db2.gz FQKXQGRMNAHYBN-NSHDSACASA-N 1 0 218.300 1.429 40 0 BDABRO O=C(c1cc(F)ccc1F)N1CCC[NH2+]CC1 ZINC000019475674 347516453 /nfs/dbraw/zinc/51/64/53/347516453.db2.gz LBYKWFFXRNGVDN-UHFFFAOYSA-N 1 0 240.253 1.400 40 0 BDABRO Cc1ccc(CN(C)C(=O)[C@H](C)[NH3+])cc1 ZINC000020264565 347517493 /nfs/dbraw/zinc/51/74/93/347517493.db2.gz LMYFPMBEMRMJDQ-JTQLQIEISA-N 1 0 206.289 1.301 40 0 BDABRO Cc1ccccc1CN1CC[NH2+]C[C@H]1C ZINC000041213201 179273614 /nfs/dbraw/zinc/27/36/14/179273614.db2.gz PYMOQJAVNRHYNW-GFCCVEGCSA-N 1 0 204.317 1.789 40 0 BDABRO Cc1ccccc1Cn1cnc(C[NH3+])c1 ZINC000071508256 179294359 /nfs/dbraw/zinc/29/43/59/179294359.db2.gz AJWWXMOMRFLJEN-UHFFFAOYSA-N 1 0 201.273 1.699 40 0 BDABRO FC(F)(F)c1n[nH]c2c1CC[C@H]1C[NH2+]C[C@@H]21 ZINC000205672195 348571509 /nfs/dbraw/zinc/57/15/09/348571509.db2.gz KQLVWBMMYFWVPI-CAHLUQPWSA-N 1 0 231.221 1.678 40 0 BDABRO COc1ccc([C@@H]2C[C@]2(C[NH3+])CO)cc1OC ZINC000062713405 259405386 /nfs/dbraw/zinc/40/53/86/259405386.db2.gz AWXFMNQIYDUJFS-GWCFXTLKSA-N 1 0 237.299 1.129 40 0 BDABRO Cc1nc([C@H]2CCC[NH2+]2)cc(N2CCCC2)n1 ZINC000072386397 180056230 /nfs/dbraw/zinc/05/62/30/180056230.db2.gz QRHRAXOUPPTIIL-LLVKDONJSA-N 1 0 232.331 1.810 40 0 BDABRO Cc1nccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000072397559 180185706 /nfs/dbraw/zinc/18/57/06/180185706.db2.gz JHQBJEAFCMCDCR-BXUZGUMPSA-N 1 0 246.358 1.454 40 0 BDABRO CO[C@H]1C[NH2+][C@@H](c2nc3ccccc3n2C)C1 ZINC000036895870 259412931 /nfs/dbraw/zinc/41/29/31/259412931.db2.gz IQGFSCUPFDVPHW-MWLCHTKSSA-N 1 0 231.299 1.623 40 0 BDABRO Cc1ncnc2c1CC[N@H+](CC1CCC1)CC2 ZINC000096187600 180291326 /nfs/dbraw/zinc/29/13/26/180291326.db2.gz CFONDENDQDYFQH-UHFFFAOYSA-N 1 0 231.343 1.986 40 0 BDABRO CC(C)(C)OC(=O)N1CCC2(C[NH2+]C2)[C@H](F)C1 ZINC000306681410 350837955 /nfs/dbraw/zinc/83/79/55/350837955.db2.gz OBCVGYCZSFSHTM-SECBINFHSA-N 1 0 244.310 1.555 40 0 BDABRO COc1ccccc1[C@@H]1CN(C(C)=O)CCN1 ZINC000211216998 351120303 /nfs/dbraw/zinc/12/03/03/351120303.db2.gz GMNWHMJRYFBQOV-LBPRGKRZSA-N 1 0 234.299 1.188 40 0 BDABRO COc1ccc([C@H]2CC[C@@H](CO)[NH2+]2)cc1 ZINC000213518032 363022998 /nfs/dbraw/zinc/02/29/98/363022998.db2.gz MMWBYNKOFUNQKW-CMPLNLGQSA-N 1 0 207.273 1.481 40 0 BDABRO COc1cc(CC(N)=[NH2+])cc(OC)c1OC ZINC000001442835 363063865 /nfs/dbraw/zinc/06/38/65/363063865.db2.gz PCYMQPXREDZMEA-UHFFFAOYSA-N 1 0 224.260 1.191 40 0 BDABRO COC(=O)[C@H](C[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC000001842823 363071796 /nfs/dbraw/zinc/07/17/96/363071796.db2.gz YFEDJMLMWJSRJJ-SNVBAGLBSA-N 1 0 248.282 1.392 40 0 in-man BDABRO C[NH2+]Cc1ccc(C[C@@H]2CNC(=O)OC2)s1 ZINC000218692252 188008210 /nfs/dbraw/zinc/00/82/10/188008210.db2.gz YUIPYMPUBRXZMK-MRVPVSSYSA-N 1 0 240.328 1.366 40 0 BDABRO O=C1N=CN=C2CN(Cc3ccccc3)CC[C@@H]12 ZINC000035269843 353409291 /nfs/dbraw/zinc/40/92/91/353409291.db2.gz ARGXWQQETZHTBW-GFCCVEGCSA-N 1 0 241.294 1.518 40 0 BDABRO Fc1ccc(-n2cnnc2C2CC[NH2+]CC2)cc1 ZINC000082552804 180960277 /nfs/dbraw/zinc/96/02/77/180960277.db2.gz UXYPQAHJXNAJFF-UHFFFAOYSA-N 1 0 246.289 1.873 40 0 BDABRO O=C1CCC[C@H]2[C@H]3CCC[N@@H+]4CCC[C@H](CN12)[C@@H]34 ZINC000006492903 353601277 /nfs/dbraw/zinc/60/12/77/353601277.db2.gz ZSBXGIUJOOQZMP-CXTNEJHOSA-N 1 0 248.370 1.872 40 0 biogenic,in-vitro BDABRO C[NH+](C)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000016697524 353565381 /nfs/dbraw/zinc/56/53/81/353565381.db2.gz QDGMWECEVJXVJU-ZDUSSCGKSA-N 1 0 248.326 1.959 40 0 BDABRO Fc1ccccc1CNC[C@@H]1CCC[NH2+]C1 ZINC000072202948 181012603 /nfs/dbraw/zinc/01/26/03/181012603.db2.gz BTNKVAVEWGEGDH-LLVKDONJSA-N 1 0 222.307 1.915 40 0 BDABRO CC1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000080992906 535272472 /nfs/dbraw/zinc/27/24/72/535272472.db2.gz MKQOYPGLBAWTEQ-GFCCVEGCSA-N 1 0 224.348 1.777 40 0 BDABRO [NH2+]=C1N=C2CCC(c3ccccc3)=NN2CN1 ZINC000068606211 181206966 /nfs/dbraw/zinc/20/69/66/181206966.db2.gz GLCMMOFQQSCQBE-UHFFFAOYSA-N 1 0 227.271 1.380 40 0 BDABRO NC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000037460198 181265284 /nfs/dbraw/zinc/26/52/84/181265284.db2.gz GQYJFMBVKKVYEU-ZETCQYMHSA-N 1 0 218.178 1.191 40 0 BDABRO Cn1cc(C[NH2+]CCc2ccccc2)cn1 ZINC000002536437 357336190 /nfs/dbraw/zinc/33/61/90/357336190.db2.gz BZJOJZFKNYMHOA-UHFFFAOYSA-N 1 0 215.300 1.752 40 0 BDABRO Cn1cccc1C[NH2+]Cc1ccnn1C ZINC000020351267 357339551 /nfs/dbraw/zinc/33/95/51/357339551.db2.gz SORQFYKQSBEIES-UHFFFAOYSA-N 1 0 204.277 1.048 40 0 BDABRO COc1cc(C[NH2+]Cc2cnn(C)c2)ccc1O ZINC000020352608 357339894 /nfs/dbraw/zinc/33/98/94/357339894.db2.gz PMZLOVCVTSRSPH-UHFFFAOYSA-N 1 0 247.298 1.424 40 0 BDABRO [NH3+][C@H](Cc1ccccc1)c1nnc(C2CC2)[nH]1 ZINC000041161503 358742037 /nfs/dbraw/zinc/74/20/37/358742037.db2.gz ZZVPJASANGNIJU-LLVKDONJSA-N 1 0 228.299 1.925 40 0 BDABRO NC1(C(F)(F)F)CC[NH+](C2CC2)CC1 ZINC000096528062 181330339 /nfs/dbraw/zinc/33/03/39/181330339.db2.gz JIVPMALSMWZREW-UHFFFAOYSA-N 1 0 208.227 1.504 40 0 BDABRO [NH3+]CC(=O)N(Cc1ccc(Cl)nc1)C1CC1 ZINC000079421541 181348588 /nfs/dbraw/zinc/34/85/88/181348588.db2.gz HKNOSOUUZOXKRZ-UHFFFAOYSA-N 1 0 239.706 1.185 40 0 BDABRO CC[C@@H]([NH3+])COCc1ccc(OC)cc1 ZINC000074530239 541322484 /nfs/dbraw/zinc/32/24/84/541322484.db2.gz NAQNFYAVFFCPBL-LLVKDONJSA-N 1 0 209.289 1.949 40 0 BDABRO [NH3+]C[C@@H](O)c1cccc(OC(F)(F)F)c1 ZINC000084991685 181423540 /nfs/dbraw/zinc/42/35/40/181423540.db2.gz AQGZPXKBMIKDGM-MRVPVSSYSA-N 1 0 221.178 1.577 40 0 BDABRO OCCC[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000142469813 368346508 /nfs/dbraw/zinc/34/65/08/368346508.db2.gz GXZCYZWVLVGPIV-CQSZACIVSA-N 1 0 234.343 1.233 40 0 BDABRO Cc1c[nH]nc1[C@@]1(C)C[N@H+](CC2CC2)CCO1 ZINC000205679149 368356872 /nfs/dbraw/zinc/35/68/72/368356872.db2.gz RVBJPWITZUSFHD-CYBMUJFWSA-N 1 0 235.331 1.676 40 0 BDABRO O=C(c1ccccc1)N1C[C@@H]2CCCC[NH2+][C@@H]2C1 ZINC000205706689 368359533 /nfs/dbraw/zinc/35/95/33/368359533.db2.gz XXMXHYQMOTZSND-UONOGXRCSA-N 1 0 244.338 1.901 40 0 BDABRO C[C@H]1CCCCN1[C@H](C[NH3+])C(F)(F)F ZINC000108276861 369385483 /nfs/dbraw/zinc/38/54/83/369385483.db2.gz OWRCACAIDABAEN-JGVFFNPUSA-N 1 0 210.243 1.750 40 0 BDABRO C[C@@H]([NH3+])c1ccc(-c2ccccn2)[nH]c1=O ZINC000253536009 370175331 /nfs/dbraw/zinc/17/53/31/370175331.db2.gz BYPGXMQCYDGFMX-MRVPVSSYSA-N 1 0 215.256 1.869 40 0 BDABRO C[C@@H]([NH3+])c1ccc(-c2cccnc2)[nH]c1=O ZINC000253536634 370176499 /nfs/dbraw/zinc/17/64/99/370176499.db2.gz ZFTKRKRRTAGGAK-MRVPVSSYSA-N 1 0 215.256 1.869 40 0 BDABRO O=C1CC[C@@H](C(F)(F)F)N1[C@H]1CCC[NH2+]C1 ZINC000256049951 370633729 /nfs/dbraw/zinc/63/37/29/370633729.db2.gz CBMYTNNYRJITJI-YUMQZZPRSA-N 1 0 236.237 1.292 40 0 BDABRO CC(C)(C)[NH2+][C@H]1CCN(c2ccc(N)cn2)C1 ZINC000256050806 370634872 /nfs/dbraw/zinc/63/48/72/370634872.db2.gz GOZDQSVYOYNNRW-NSHDSACASA-N 1 0 234.347 1.631 40 0 BDABRO CO[C@@]1(COc2ccccc2)CCC[NH2+]C1 ZINC000378911707 371030443 /nfs/dbraw/zinc/03/04/43/371030443.db2.gz JTKLYYBRYWWGDC-ZDUSSCGKSA-N 1 0 221.300 1.834 40 0 BDABRO C[NH2+][C@H](C)Cc1cc2c(c(OC)c1)OCO2 ZINC000118698009 371054147 /nfs/dbraw/zinc/05/41/47/371054147.db2.gz XEULPLUJSUSGMX-MRVPVSSYSA-N 1 0 223.272 1.574 40 0 in-vitro BDABRO [NH3+][C@H]1COC[C@H]1Nc1cccc(C(F)(F)F)c1 ZINC000218678945 181656931 /nfs/dbraw/zinc/65/69/31/181656931.db2.gz BUJHTNQNWWTXLA-VHSXEESVSA-N 1 0 246.232 1.843 40 0 BDABRO Clc1cc(N[C@H]2CCC[NH2+]C2)ncn1 ZINC000038579835 372709322 /nfs/dbraw/zinc/70/93/22/372709322.db2.gz DRTMJPADPAVOCG-ZETCQYMHSA-N 1 0 212.684 1.294 40 0 BDABRO O=C(NC1CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000079440589 182116411 /nfs/dbraw/zinc/11/64/11/182116411.db2.gz HONAMYWEDRYYNN-UHFFFAOYSA-N 1 0 239.706 1.217 40 0 BDABRO O=C(NCCC[NH+]1CCCCC1)c1ccco1 ZINC000010277147 182167448 /nfs/dbraw/zinc/16/74/48/182167448.db2.gz GHQRUDBYWPQZLR-UHFFFAOYSA-N 1 0 236.315 1.885 40 0 BDABRO O=C(Nc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC000019411756 182350338 /nfs/dbraw/zinc/35/03/38/182350338.db2.gz UAVSCCLEWSKPSX-UHFFFAOYSA-N 1 0 240.253 1.903 40 0 BDABRO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1CCCO ZINC000006241148 182376834 /nfs/dbraw/zinc/37/68/34/182376834.db2.gz RTAZFPUCDXTUAO-ZDUSSCGKSA-N 1 0 248.326 1.472 40 0 BDABRO O=C1CC[C@H]2[NH2+]CC[C@H]2N1c1ccccc1 ZINC000306125712 182754416 /nfs/dbraw/zinc/75/44/16/182754416.db2.gz CZDSLJXNDFCLSL-VXGBXAGGSA-N 1 0 216.284 1.544 40 0 BDABRO O=C1N(c2ccccc2)CCC12CC[NH2+]CC2 ZINC000001872150 182789374 /nfs/dbraw/zinc/78/93/74/182789374.db2.gz HIACYYOFSSWMQV-UHFFFAOYSA-N 1 0 230.311 1.793 40 0 BDABRO O=C1Nc2c(F)cccc2CC12CC[NH2+]CC2 ZINC000098214109 182822595 /nfs/dbraw/zinc/82/25/95/182822595.db2.gz XGEWHTPNCHVDPE-UHFFFAOYSA-N 1 0 234.274 1.690 40 0 BDABRO OCC[N@H+](C[C@H]1COc2ccccc2O1)C1CC1 ZINC000048065502 183067972 /nfs/dbraw/zinc/06/79/72/183067972.db2.gz HVTNANVHJNGBOX-LBPRGKRZSA-N 1 0 249.310 1.283 40 0 BDABRO OCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000036904567 183079571 /nfs/dbraw/zinc/07/95/71/183079571.db2.gz LFAKEOCEKASBCZ-CQSZACIVSA-N 1 0 234.343 1.233 40 0 BDABRO O[C@@H](C[NH2+]C1CC1)COc1ccccc1 ZINC000032011690 183177617 /nfs/dbraw/zinc/17/76/17/183177617.db2.gz AURNLHIKJXJYDP-NSHDSACASA-N 1 0 207.273 1.178 40 0 BDABRO O[C@H](C[NH2+]C1CC1)COc1ccccc1 ZINC000032011691 183223089 /nfs/dbraw/zinc/22/30/89/183223089.db2.gz AURNLHIKJXJYDP-LLVKDONJSA-N 1 0 207.273 1.178 40 0 BDABRO O[C@H]1[C@H](F)C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000096261802 183213345 /nfs/dbraw/zinc/21/33/45/183213345.db2.gz BYEXOWWLXPPDJB-REWJHTLYSA-N 1 0 235.302 1.837 40 0 BDABRO O[C@H]1C[N@@H+](C2CCCC2)CC[C@@]12CCCO2 ZINC000257281917 183242007 /nfs/dbraw/zinc/24/20/07/183242007.db2.gz ORLVAEDTURWRAN-STQMWFEESA-N 1 0 225.332 1.545 40 0 BDABRO O[C@H]1C[C@@H]2c3ccccc3[C@H]1c1cccc[n+]12 ZINC000005120984 183247440 /nfs/dbraw/zinc/24/74/40/183247440.db2.gz CEHXFVIZASBKFQ-ILXRZTDVSA-N 1 0 224.283 1.773 40 0 BDABRO CCC[N@H+]1CC=C(c2nn3cnnc3s2)CC1 ZINC000073636298 169185988 /nfs/dbraw/zinc/18/59/88/169185988.db2.gz HBMZGQDJQJUXDK-UHFFFAOYSA-N 1 0 249.343 1.685 40 0 BDABRO CCC[N@@H+]1CCC[C@H]2Cc3nc(N)ncc3C[C@@H]21 ZINC000008584876 169201093 /nfs/dbraw/zinc/20/10/93/169201093.db2.gz TUFADSGTJUOBEH-GWCFXTLKSA-N 1 0 246.358 1.648 40 0 in-vitro BDABRO c1cc(CN2CCOC3(CC[NH2+]CC3)C2)co1 ZINC000306140483 183344792 /nfs/dbraw/zinc/34/47/92/183344792.db2.gz UUSJJLXTCBTDKB-UHFFFAOYSA-N 1 0 236.315 1.234 40 0 BDABRO c1cc2c(c(OCC3=[NH+]CCN3)c1)CCCC2 ZINC000001688451 183365605 /nfs/dbraw/zinc/36/56/05/183365605.db2.gz TURWYUGMMTYDQJ-UHFFFAOYSA-N 1 0 230.311 1.946 40 0 BDABRO CCC[NH2+][C@@H]1CCc2nc(N)sc2C1=O ZINC000065748331 169283460 /nfs/dbraw/zinc/28/34/60/169283460.db2.gz ZOCPEKBIHMIJSC-ZCFIWIBFSA-N 1 0 225.317 1.222 40 0 in-vitro BDABRO CCCOC1(c2cnn(C)c2)CC[NH2+]CC1 ZINC000096525685 169301341 /nfs/dbraw/zinc/30/13/41/169301341.db2.gz MEVSNLITSBPVNU-UHFFFAOYSA-N 1 0 223.320 1.425 40 0 BDABRO CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000079437674 166643558 /nfs/dbraw/zinc/64/35/58/166643558.db2.gz OISBACWDCRUUAL-SNVBAGLBSA-N 1 0 226.320 1.748 40 0 BDABRO C[NH+](C)C[C@@H]1C(=O)[C@H]2C[C@@H]1[C@H]1CCC[C@H]21 ZINC000035485312 383859142 /nfs/dbraw/zinc/85/91/42/383859142.db2.gz NGVULNLBXHSZGF-SVNGYHJRSA-N 1 0 207.317 1.799 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccsc1 ZINC000035719302 383874692 /nfs/dbraw/zinc/87/46/92/383874692.db2.gz KHRSRDHCOXFDNI-JTQLQIEISA-N 1 0 226.345 1.690 40 0 BDABRO C[NH+]1CCC(O)(c2ccc3c[nH]nc3c2)CC1 ZINC000002526931 383971764 /nfs/dbraw/zinc/97/17/64/383971764.db2.gz SCNVGEGJAFVYTO-UHFFFAOYSA-N 1 0 231.299 1.476 40 0 BDABRO N[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000035677005 384088954 /nfs/dbraw/zinc/08/89/54/384088954.db2.gz OOXAINRQIVQQDU-SSDOTTSWSA-N 1 0 205.088 1.952 40 0 BDABRO CC(C)[C@@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000039091355 384101034 /nfs/dbraw/zinc/10/10/34/384101034.db2.gz YWAMFTBALAAREO-QMMMGPOBSA-N 1 0 202.298 1.494 40 0 BDABRO CC(C)(C)c1noc(-c2ccc[nH+]c2NN)n1 ZINC000070451573 384109392 /nfs/dbraw/zinc/10/93/92/384109392.db2.gz SQHOLLFPXYCEPT-UHFFFAOYSA-N 1 0 233.275 1.715 40 0 BDABRO FC(F)(F)c1cccc([C@@H]2C[NH2+]CCN2)c1 ZINC000039363559 384115075 /nfs/dbraw/zinc/11/50/75/384115075.db2.gz YFYVJMADMDQPCS-JTQLQIEISA-N 1 0 230.233 1.939 40 0 BDABRO CC(=O)N[C@H]1CCCC[C@@H]1[N@@H+](CCO)C(C)C ZINC000079405452 384133525 /nfs/dbraw/zinc/13/35/25/384133525.db2.gz KFMFJKAQLUCOSW-STQMWFEESA-N 1 0 242.363 1.136 40 0 BDABRO COC(=O)/C=C\[C@H]([NH3+])Cc1ccccc1 ZINC000091365982 384123814 /nfs/dbraw/zinc/12/38/14/384123814.db2.gz GIBLLUQATZGTAM-TVRMLOFPSA-N 1 0 205.257 1.286 40 0 BDABRO O=C1CCC[C@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000005816968 384132426 /nfs/dbraw/zinc/13/24/26/384132426.db2.gz ZSBXGIUJOOQZMP-XFMPKHEZSA-N 1 0 248.370 1.872 40 0 BDABRO Cc1ccsc1CN(C(=O)[C@H](C)[NH3+])C1CC1 ZINC000079436449 384146534 /nfs/dbraw/zinc/14/65/34/384146534.db2.gz UYWJHHRNBNDJEO-VIFPVBQESA-N 1 0 238.356 1.895 40 0 BDABRO CC(C)[N@H+](C)CC1CC[NH+](CC(=O)[O-])CC1 ZINC000079419753 384141575 /nfs/dbraw/zinc/14/15/75/384141575.db2.gz HKXLRJCDRLWODJ-UHFFFAOYSA-N 1 0 228.336 1.123 40 0 BDABRO C[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1Cl ZINC000079420253 384142297 /nfs/dbraw/zinc/14/22/97/384142297.db2.gz XXGNSYRZPPXHBC-LURJTMIESA-N 1 0 247.125 1.957 40 0 BDABRO CC[C@H](c1ccccc1)N(C)C(=O)C[NH3+] ZINC000079421167 384145342 /nfs/dbraw/zinc/14/53/42/384145342.db2.gz LMHWPXZDSIUHDR-LLVKDONJSA-N 1 0 206.289 1.555 40 0 BDABRO [NH3+]Cc1cn(Cc2ccccc2F)cn1 ZINC000071509268 384232618 /nfs/dbraw/zinc/23/26/18/384232618.db2.gz WLDBUMLGUIPEBX-UHFFFAOYSA-N 1 0 205.236 1.529 40 0 BDABRO CCOc1ccc(-n2cnc(C[NH3+])c2)cc1 ZINC000082536000 384237167 /nfs/dbraw/zinc/23/71/67/384237167.db2.gz REXNDMJESMZDTB-UHFFFAOYSA-N 1 0 217.272 1.730 40 0 BDABRO C[NH+](C)CC(=O)N1CCCC[C@@H]1c1cnccn1 ZINC000072359888 384212619 /nfs/dbraw/zinc/21/26/19/384212619.db2.gz YANMYMWYIGPNGY-GFCCVEGCSA-N 1 0 248.330 1.092 40 0 BDABRO c1nc(N2CCCC2)cnc1C1CC[NH2+]CC1 ZINC000072386381 384218779 /nfs/dbraw/zinc/21/87/79/384218779.db2.gz JWWPJMKFJHDDNU-UHFFFAOYSA-N 1 0 232.331 1.544 40 0 BDABRO CC/C=C(/C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069725085 384258058 /nfs/dbraw/zinc/25/80/58/384258058.db2.gz HYDQSJYUQCVBSG-CIYHXPSUSA-N 1 0 224.348 1.929 40 0 BDABRO CC(C)[N@H+](CC(=O)[O-])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177725 384282341 /nfs/dbraw/zinc/28/23/41/384282341.db2.gz VWXPKAUYGWEATB-TXEJJXNPSA-N 1 0 242.363 1.654 40 0 BDABRO C[NH+](C)CCOc1ccc2c(c1)CCC2=O ZINC000001567711 384401732 /nfs/dbraw/zinc/40/17/32/384401732.db2.gz QNQRSQUIJFKQPW-UHFFFAOYSA-N 1 0 219.284 1.756 40 0 BDABRO O=C1C[C@H]2[NH2+]CC[C@H]2N1c1ccsc1 ZINC000096246041 384446987 /nfs/dbraw/zinc/44/69/87/384446987.db2.gz RISYASHBQSFZFP-RKDXNWHRSA-N 1 0 208.286 1.215 40 0 BDABRO COC(=O)c1ccc(NCC(C)(C)[NH3+])cc1 ZINC000001727645 384449788 /nfs/dbraw/zinc/44/97/88/384449788.db2.gz SNVVFTXWVKOFOD-UHFFFAOYSA-N 1 0 222.288 1.622 40 0 BDABRO O=C1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccco2)N1 ZINC000096056436 384428051 /nfs/dbraw/zinc/42/80/51/384428051.db2.gz OZVUZNAAINNSIZ-MNOVXSKESA-N 1 0 220.272 1.133 40 0 BDABRO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)o1 ZINC000096056465 384428292 /nfs/dbraw/zinc/42/82/92/384428292.db2.gz XTRHBLLUHHOJGJ-CHWSQXEVSA-N 1 0 248.326 1.783 40 0 BDABRO C(C[NH+]1CCCC1)N1CC[C@@]2(CCCO2)C1 ZINC000096051035 384429361 /nfs/dbraw/zinc/42/93/61/384429361.db2.gz AZRYLRAVCPXQAT-ZDUSSCGKSA-N 1 0 224.348 1.337 40 0 BDABRO Cc1ccc(N2C[C@]3(CC[NH2+]C3)CC2=O)s1 ZINC000096077960 384432185 /nfs/dbraw/zinc/43/21/85/384432185.db2.gz QHHZPWUNRULBOP-GFCCVEGCSA-N 1 0 236.340 1.773 40 0 BDABRO CCc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]32)o1 ZINC000096186175 384440422 /nfs/dbraw/zinc/44/04/22/384440422.db2.gz USPIDYUEZWGMPH-STQMWFEESA-N 1 0 248.326 1.695 40 0 BDABRO c1ccc2c(c1)CN[C@@H]1C[N@@H+](CC3CC3)C[C@@H]21 ZINC000096157355 384440612 /nfs/dbraw/zinc/44/06/12/384440612.db2.gz ICGAQMOENXHHMM-LSDHHAIUSA-N 1 0 228.339 1.968 40 0 BDABRO COC[C@@H]1Cn2cncc2C[N@@H+](C2CCC2)C1 ZINC000096206789 384443201 /nfs/dbraw/zinc/44/32/01/384443201.db2.gz JOAKSVFAXPXOAP-NSHDSACASA-N 1 0 235.331 1.514 40 0 BDABRO CN(C)Cc1cnc2n1CC[N@@H+](CC1CC1)CC2 ZINC000096196816 384443725 /nfs/dbraw/zinc/44/37/25/384443725.db2.gz IFGNWEIUEKYSQS-UHFFFAOYSA-N 1 0 248.374 1.213 40 0 BDABRO CC[NH+](CC)CCNCc1ccncc1 ZINC000097050793 384492092 /nfs/dbraw/zinc/49/20/92/384492092.db2.gz NTKPZWPROLAKJF-UHFFFAOYSA-N 1 0 207.321 1.513 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2F)CC1 ZINC000100809931 384652925 /nfs/dbraw/zinc/65/29/25/384652925.db2.gz SDTRWHJNXIIPAT-AOOOYVTPSA-N 1 0 236.290 1.825 40 0 BDABRO Cc1c[nH+]c(NCc2ccccn2)c(N)c1 ZINC000082533971 384690749 /nfs/dbraw/zinc/69/07/49/384690749.db2.gz BYXLRRDJQBAAOP-UHFFFAOYSA-N 1 0 214.272 1.979 40 0 BDABRO FC(F)(F)c1cccc(O[C@@H]2CC[NH2+]C2)n1 ZINC000051868738 384697840 /nfs/dbraw/zinc/69/78/40/384697840.db2.gz IJCPVGYNFBCNRN-SSDOTTSWSA-N 1 0 232.205 1.841 40 0 BDABRO COc1ccc(CN2CC[C@@H]([NH3+])C2)cc1Cl ZINC000038538907 384865441 /nfs/dbraw/zinc/86/54/41/384865441.db2.gz MVTGBAQUZVBSCL-SNVBAGLBSA-N 1 0 240.734 1.882 40 0 BDABRO COc1ccccc1C[C@@H]1C[NH2+]CCO1 ZINC000083986643 384964821 /nfs/dbraw/zinc/96/48/21/384964821.db2.gz OCETYPNJHFHINV-LLVKDONJSA-N 1 0 207.273 1.226 40 0 BDABRO CN(c1ccnc(Cl)n1)[C@@H]1CCC[NH2+]C1 ZINC000072203718 385059513 /nfs/dbraw/zinc/05/95/13/385059513.db2.gz HJDQKPQJWFDFOK-MRVPVSSYSA-N 1 0 226.711 1.318 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nc(-c2ccco2)n[nH]1 ZINC000095534697 385047098 /nfs/dbraw/zinc/04/70/98/385047098.db2.gz XKEGGZNCYOFMDO-MRVPVSSYSA-N 1 0 206.249 1.721 40 0 BDABRO CC[C@@H]([NH3+])c1cnc(N2CCOCC2)c(C)c1 ZINC000072222516 385109369 /nfs/dbraw/zinc/10/93/69/385109369.db2.gz OCOUNQWJNPHSON-GFCCVEGCSA-N 1 0 235.331 1.636 40 0 BDABRO CC[C@H]([NH3+])c1cnc(N2CC[NH2+]CC2)cc1C ZINC000072223583 385113047 /nfs/dbraw/zinc/11/30/47/385113047.db2.gz POEYSSLIKSJDJL-LBPRGKRZSA-N 1 0 234.347 1.209 40 0 BDABRO [NH3+]C[C@H](O)COCc1ccc(F)c(Cl)c1 ZINC000095096240 385198500 /nfs/dbraw/zinc/19/85/00/385198500.db2.gz AHWXKFOZEIGQLX-QMMMGPOBSA-N 1 0 233.670 1.315 40 0 BDABRO Cc1ccc(COC[C@H](O)C[NH3+])cc1C ZINC000095096261 385208953 /nfs/dbraw/zinc/20/89/53/385208953.db2.gz UNVOSZSAXUJNSD-GFCCVEGCSA-N 1 0 209.289 1.140 40 0 BDABRO c1nc(N2CCCCCC2)nc2c1C[NH2+]CC2 ZINC000096517159 385255048 /nfs/dbraw/zinc/25/50/48/385255048.db2.gz YDWVCRUINIRKOK-UHFFFAOYSA-N 1 0 232.331 1.503 40 0 BDABRO [NH3+][C@@H]1CCCN(c2cc3c(nn2)CCCC3)C1 ZINC000096516125 385258742 /nfs/dbraw/zinc/25/87/42/385258742.db2.gz DLLVLRQLIBGLPE-LLVKDONJSA-N 1 0 232.331 1.283 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2[nH]nc3c2CCCC3)C1 ZINC000096523543 385266441 /nfs/dbraw/zinc/26/64/41/385266441.db2.gz IPZDWPJGRACUGD-JTQLQIEISA-N 1 0 234.347 1.212 40 0 BDABRO [NH3+][C@@H]1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000096523482 385268723 /nfs/dbraw/zinc/26/87/23/385268723.db2.gz GFAYNXBTNLEPCX-GFCCVEGCSA-N 1 0 242.326 1.610 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1cccc(N)c1 ZINC000096524829 385273515 /nfs/dbraw/zinc/27/35/15/385273515.db2.gz SXINRXGUKVZZGX-GZMMTYOYSA-N 1 0 242.344 1.092 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1cccc(N)c1 ZINC000096524830 385275032 /nfs/dbraw/zinc/27/50/32/385275032.db2.gz SXINRXGUKVZZGX-LDYMZIIASA-N 1 0 242.344 1.092 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@H]([NH3+])C(C)(C)C ZINC000096524852 385278210 /nfs/dbraw/zinc/27/82/10/385278210.db2.gz HJMQQCDHLRTZNJ-SFYZADRCSA-N 1 0 207.339 1.183 40 0 BDABRO CC[C@H]([C@H]([NH3+])c1ccc(N)cc1)S(C)(=O)=O ZINC000096524872 385278839 /nfs/dbraw/zinc/27/88/39/385278839.db2.gz NIIKBCYRVRSINP-GHMZBOCLSA-N 1 0 242.344 1.092 40 0 BDABRO Nc1cccn(C2CC[NH+](C3CC3)CC2)c1=O ZINC000095097357 385424297 /nfs/dbraw/zinc/42/42/97/385424297.db2.gz HEFMAJGAHIOCGX-UHFFFAOYSA-N 1 0 233.315 1.230 40 0 BDABRO O=C(C1CCCCC1)N1CCC[NH2+]CC1 ZINC000019679926 385514375 /nfs/dbraw/zinc/51/43/75/385514375.db2.gz YRVBFTVRKHGFKS-UHFFFAOYSA-N 1 0 210.321 1.389 40 0 BDABRO CO[C@@H]1C[NH2+][C@H](c2nc3ccccc3n2C)C1 ZINC000036895867 385590611 /nfs/dbraw/zinc/59/06/11/385590611.db2.gz IQGFSCUPFDVPHW-ONGXEEELSA-N 1 0 231.299 1.623 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@H]1c1ccc2c(c1)CCO2 ZINC000062713750 385696659 /nfs/dbraw/zinc/69/66/59/385696659.db2.gz CMOSMEMGDDNXRT-AAEUAGOBSA-N 1 0 219.284 1.046 40 0 BDABRO FC(F)(F)c1cnc(NC2CC[NH2+]CC2)nc1 ZINC000255190579 385713571 /nfs/dbraw/zinc/71/35/71/385713571.db2.gz YDEGFBPHBFFURL-UHFFFAOYSA-N 1 0 246.236 1.659 40 0 BDABRO c1cnc(Nc2nccnc2[C@@H]2CCC[NH2+]2)cn1 ZINC000257294039 385760054 /nfs/dbraw/zinc/76/00/54/385760054.db2.gz QSEGUDDOSXMQAY-VIFPVBQESA-N 1 0 242.286 1.435 40 0 BDABRO c1cn(-c2ccnc([C@H]3CCC[NH2+]C3)c2)cn1 ZINC000257326932 385763715 /nfs/dbraw/zinc/76/37/15/385763715.db2.gz WZDPXLUJJTVJQO-NSHDSACASA-N 1 0 228.299 1.734 40 0 BDABRO c1cc([C@H]2CC[N@@H+](Cc3cncnc3)C2)n[nH]1 ZINC000257335316 385764395 /nfs/dbraw/zinc/76/43/95/385764395.db2.gz YJQHYZPTYGZSCU-NSHDSACASA-N 1 0 229.287 1.189 40 0 BDABRO Cc1cc(CC2CC[NH+](CC(N)=O)CC2)ccn1 ZINC000257320686 385765462 /nfs/dbraw/zinc/76/54/62/385765462.db2.gz VYAWUKHKJAEOJV-UHFFFAOYSA-N 1 0 247.342 1.130 40 0 BDABRO O=C(c1cccnc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000257738863 385773606 /nfs/dbraw/zinc/77/36/06/385773606.db2.gz YMSFNPDAGXORLY-UHFFFAOYSA-N 1 0 245.326 1.297 40 0 BDABRO CC(C)(C)OC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000072194417 385884663 /nfs/dbraw/zinc/88/46/63/385884663.db2.gz OWGYHEOEGOLPEK-SECBINFHSA-N 1 0 214.309 1.511 40 0 BDABRO CC(C)(C)OC(=O)N[C@@]12C[C@@H]1C[NH2+]CC2 ZINC000083297628 385864262 /nfs/dbraw/zinc/86/42/62/385864262.db2.gz UVXQLUZASNYBCQ-KCJUWKMLSA-N 1 0 212.293 1.263 40 0 BDABRO c1cncc(CO[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c1 ZINC000306143175 385991097 /nfs/dbraw/zinc/99/10/97/385991097.db2.gz XVASXYMEOKXDKT-YNEHKIRRSA-N 1 0 234.299 1.118 40 0 BDABRO FC(F)[C@H]1N(Cc2ccccc2)CC12C[NH2+]C2 ZINC000306145633 385994587 /nfs/dbraw/zinc/99/45/87/385994587.db2.gz LDTFMZVKFFMKIS-LLVKDONJSA-N 1 0 238.281 1.726 40 0 BDABRO COC(=O)c1ccc2c(c1)CCC[C@@]21CC[NH2+]1 ZINC000306145379 385995552 /nfs/dbraw/zinc/99/55/52/385995552.db2.gz CWMUJYBNQXEKLJ-CQSZACIVSA-N 1 0 231.295 1.998 40 0 BDABRO C[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000038121317 386122588 /nfs/dbraw/zinc/12/25/88/386122588.db2.gz SRYNPPRXFZPEER-VIFPVBQESA-N 1 0 219.206 1.958 40 0 BDABRO Cc1cc(C)c(N)c(N2CC[NH+](C)CC2)c1 ZINC000223777843 386100178 /nfs/dbraw/zinc/10/01/78/386100178.db2.gz QBYLHPSYUZSOSV-UHFFFAOYSA-N 1 0 219.332 1.637 40 0 BDABRO CCN(CC)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363624 386230085 /nfs/dbraw/zinc/23/00/85/386230085.db2.gz DPIMLYSVINCYCY-CYBMUJFWSA-N 1 0 234.343 1.963 40 0 BDABRO [NH3+]CCc1nnc2ccc(-c3ccsc3)nn21 ZINC000328579715 386529340 /nfs/dbraw/zinc/52/93/40/386529340.db2.gz XRLXXQYQAVYJLO-UHFFFAOYSA-N 1 0 245.311 1.354 40 0 BDABRO C[N@@H+]1C[C@H](CO)[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000225609339 386675447 /nfs/dbraw/zinc/67/54/47/386675447.db2.gz SWAUYCLOTDOUDN-GHMZBOCLSA-N 1 0 235.283 1.053 40 0 BDABRO CC(C)(C)OC(=O)[C@@H](N)C[C@H]1CCC[NH2+]C1 ZINC000088247620 386947198 /nfs/dbraw/zinc/94/71/98/386947198.db2.gz HXRMBJYKFKADGB-ZJUUUORDSA-N 1 0 228.336 1.045 40 0 BDABRO CCn1cc(-c2noc(C3CC[NH2+]CC3)n2)cn1 ZINC000575410918 387012562 /nfs/dbraw/zinc/01/25/62/387012562.db2.gz RFSDOZNSDCIFTN-UHFFFAOYSA-N 1 0 247.302 1.420 40 0 BDABRO CCn1cc(-c2noc([C@H]3CCCC[NH2+]3)n2)cn1 ZINC000575410736 387015274 /nfs/dbraw/zinc/01/52/74/387015274.db2.gz DHPBELKKNBRUJI-SNVBAGLBSA-N 1 0 247.302 1.768 40 0 BDABRO Cc1oc(CC[NH3+])cc1Br ZINC000082927059 387384592 /nfs/dbraw/zinc/38/45/92/387384592.db2.gz TWWOPXJQTFWEPM-UHFFFAOYSA-N 1 0 204.067 1.852 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000144231327 387579766 /nfs/dbraw/zinc/57/97/66/387579766.db2.gz VNJDWHIKXSJJGX-VXGBXAGGSA-N 1 0 219.284 1.505 40 0 BDABRO CC[NH+](CC)CCNCc1cc(C)nn1C ZINC000084243682 387855149 /nfs/dbraw/zinc/85/51/49/387855149.db2.gz KPLNQZFOGWTDLZ-UHFFFAOYSA-N 1 0 224.352 1.160 40 0 BDABRO CC[C@@H](C)n1nccc1C[NH2+]CCN(C)C ZINC000256050186 387858066 /nfs/dbraw/zinc/85/80/66/387858066.db2.gz DBQVUVNYEYSQCC-LLVKDONJSA-N 1 0 224.352 1.505 40 0 BDABRO CC(C)n1nc(C2CC2)cc1C[NH2+]CCO ZINC000256054826 387863358 /nfs/dbraw/zinc/86/33/58/387863358.db2.gz XYZXWQIJFDQYJJ-UHFFFAOYSA-N 1 0 223.320 1.423 40 0 BDABRO COC(=O)[C@H]1C[NH2+]Cc2[nH]c3ccccc3c21 ZINC000021990083 388003952 /nfs/dbraw/zinc/00/39/52/388003952.db2.gz YOOXDTWCCSMAOZ-VIFPVBQESA-N 1 0 230.267 1.528 40 0 BDABRO C[C@H]([NH2+]C1CCN(C)CC1)[C@H]1CCOC1 ZINC000132238818 388357752 /nfs/dbraw/zinc/35/77/52/388357752.db2.gz YWOUFBRDUWRXKT-QWRGUYRKSA-N 1 0 212.337 1.095 40 0 BDABRO [NH3+]CCc1nnc2ccc(-c3ccccc3)nn21 ZINC000058021711 388372172 /nfs/dbraw/zinc/37/21/72/388372172.db2.gz UPVIVXPXNCHPHU-UHFFFAOYSA-N 1 0 239.282 1.293 40 0 BDABRO CS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@H]1[NH3+] ZINC000242687463 388400527 /nfs/dbraw/zinc/40/05/27/388400527.db2.gz UGVPEMRDHWBYLJ-UTLUCORTSA-N 1 0 245.731 1.178 40 0 BDABRO Cc1ccc(O[C@H]2C[C@H]3C[NH2+]CCN3C2)cc1 ZINC000107243948 388616425 /nfs/dbraw/zinc/61/64/25/388616425.db2.gz HBGDTJGRCMSULY-JSGCOSHPSA-N 1 0 232.327 1.420 40 0 BDABRO Clc1cnc(SC[C@H]2CC[NH2+]C2)nc1 ZINC000091366406 388628514 /nfs/dbraw/zinc/62/85/14/388628514.db2.gz CAVLXDTVMQIMCL-ZETCQYMHSA-N 1 0 229.736 1.832 40 0 BDABRO Cc1cncc([C@@H](C)O[C@H]2CC[NH2+]C2)c1 ZINC000252487780 388653336 /nfs/dbraw/zinc/65/33/36/388653336.db2.gz IBNMJHOPSUSNPQ-PWSUYJOCSA-N 1 0 206.289 1.830 40 0 BDABRO CC(C)Nc1ncc(C[NH2+]C(C)C)cn1 ZINC000062717635 388655703 /nfs/dbraw/zinc/65/57/03/388655703.db2.gz RWYDZCMVSDZZNL-UHFFFAOYSA-N 1 0 208.309 1.795 40 0 BDABRO Cc1cc(C)nc(NCC[NH2+]CC(C)C)n1 ZINC000062717888 388656087 /nfs/dbraw/zinc/65/60/87/388656087.db2.gz ROSIXJVVYMATDB-UHFFFAOYSA-N 1 0 222.336 1.751 40 0 BDABRO CCCc1noc([C@@H]2CCC[NH2+]CC2)n1 ZINC000095095435 388759194 /nfs/dbraw/zinc/75/91/94/388759194.db2.gz SEBCWEFAGODWDU-SECBINFHSA-N 1 0 209.293 1.879 40 0 BDABRO CC(C)C[C@H]([NH3+])CN1CCSCC1 ZINC000020257461 388760062 /nfs/dbraw/zinc/76/00/62/388760062.db2.gz NFNHGCWRVWTARG-JTQLQIEISA-N 1 0 202.367 1.409 40 0 BDABRO COC(=O)c1cccc(N2CC[NH2+][C@@H](C)C2)c1 ZINC000039952495 132347095 /nfs/dbraw/zinc/34/70/95/132347095.db2.gz BTZCQJSKLLSXLC-JTQLQIEISA-N 1 0 234.299 1.271 40 0 BDABRO C[NH2+]C1CCN(c2cc(Cl)ncn2)CC1 ZINC000072203398 132396422 /nfs/dbraw/zinc/39/64/22/132396422.db2.gz NRVXZPDSORPXSP-UHFFFAOYSA-N 1 0 226.711 1.318 40 0 BDABRO CC[C@@H]1[NH2+]CCC[C@]12CCC(=O)N2CC1CC1 ZINC000306126814 135368524 /nfs/dbraw/zinc/36/85/24/135368524.db2.gz FGBBOBWXXMYRRW-JSGCOSHPSA-N 1 0 236.359 1.920 40 0 BDABRO O=C(NCc1ccccc1)[C@H]1CCCCC[NH2+]1 ZINC000080993138 135384438 /nfs/dbraw/zinc/38/44/38/135384438.db2.gz OXQFOOZJQDWKBW-CYBMUJFWSA-N 1 0 232.327 1.835 40 0 BDABRO FC(F)(F)c1cnc(C2CC[NH2+]CC2)nc1 ZINC000062720790 398039949 /nfs/dbraw/zinc/03/99/49/398039949.db2.gz UADXUTYYMOWJFY-UHFFFAOYSA-N 1 0 231.221 1.962 40 0 BDABRO CC(C)NC(=O)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC000096227842 167083817 /nfs/dbraw/zinc/08/38/17/167083817.db2.gz ZWNUJGMQESCKQT-NSHDSACASA-N 1 0 224.348 1.681 40 0 BDABRO COc1cc(OC)c(C[NH3+])cc1Cl ZINC000062702154 175006909 /nfs/dbraw/zinc/00/69/09/175006909.db2.gz YAJCEJOBBQPVBM-UHFFFAOYSA-N 1 0 201.653 1.816 40 0 BDABRO CC(C)Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329052583 167035299 /nfs/dbraw/zinc/03/52/99/167035299.db2.gz VCLWTEDZCOVNEB-UHFFFAOYSA-N 1 0 234.347 1.838 40 0 BDABRO CCn1cc(CNCC[NH+](CC)CC)c(C)n1 ZINC000256050417 169779783 /nfs/dbraw/zinc/77/97/83/169779783.db2.gz DYONJOAYVSFRDJ-UHFFFAOYSA-N 1 0 238.379 1.643 40 0 BDABRO CC(C)NC(=O)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC000096227841 167081146 /nfs/dbraw/zinc/08/11/46/167081146.db2.gz ZWNUJGMQESCKQT-LLVKDONJSA-N 1 0 224.348 1.681 40 0 BDABRO COC[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000395959666 411255657 /nfs/dbraw/zinc/25/56/57/411255657.db2.gz PJPOQKVMAIYGSG-VXGBXAGGSA-N 1 0 240.347 1.014 40 0 BDABRO CCNC(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH3+] ZINC000005650414 170099651 /nfs/dbraw/zinc/09/96/51/170099651.db2.gz UVKUMJGXPDEXSQ-YPMHNXCESA-N 1 0 218.300 1.039 40 0 in-vitro BDABRO CC[NH2+]Cc1cnc(Cl)nc1Cl ZINC000072194560 170130605 /nfs/dbraw/zinc/13/06/05/170130605.db2.gz XDFFGSSBEGHGIB-UHFFFAOYSA-N 1 0 206.076 1.893 40 0 BDABRO CC[NH2+][C@@H](C)C(=O)Nc1ccccc1C ZINC000065740911 170138441 /nfs/dbraw/zinc/13/84/41/170138441.db2.gz NAXASDSUCOOCOT-JTQLQIEISA-N 1 0 206.289 1.932 40 0 in-vitro BDABRO CCOC(=O)CC[NH2+]CCC[NH+](CC)CC ZINC000036667889 170208891 /nfs/dbraw/zinc/20/88/91/170208891.db2.gz URQSJKMHXOCTGI-UHFFFAOYSA-N 1 0 230.352 1.261 40 0 BDABRO CCOC(=O)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC000082110834 170259243 /nfs/dbraw/zinc/25/92/43/170259243.db2.gz PXFPDTOVEBHWER-NEPJUHHUSA-N 1 0 219.284 1.900 40 0 BDABRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000039171498 170282166 /nfs/dbraw/zinc/28/21/66/170282166.db2.gz IAEHFMBLCHNXJS-CYBMUJFWSA-N 1 0 248.326 1.024 40 0 BDABRO CCOC(=O)c1ccc(NC(=O)CC[NH3+])cc1 ZINC000008732975 170295956 /nfs/dbraw/zinc/29/59/56/170295956.db2.gz LTYWCBKZXUIIMK-UHFFFAOYSA-N 1 0 236.271 1.151 40 0 BDABRO CCOC(=O)c1ccc2ccccc2[n+]1C ZINC000001723447 170298668 /nfs/dbraw/zinc/29/86/68/170298668.db2.gz SSSYIPYLYSREAD-UHFFFAOYSA-N 1 0 216.260 1.841 40 0 BDABRO CCOC(OCC)C1CC[NH+](C)CC1 ZINC000043503187 170316323 /nfs/dbraw/zinc/31/63/23/170316323.db2.gz GXWMUDDGXSJNEP-UHFFFAOYSA-N 1 0 201.310 1.727 40 0 BDABRO CCS(=O)(=O)C[C@@H]([NH3+])c1cccc(F)c1 ZINC000096524758 170610947 /nfs/dbraw/zinc/61/09/47/170610947.db2.gz QLTOHPFKDFQVNT-SNVBAGLBSA-N 1 0 231.292 1.260 40 0 BDABRO C[C@H]1CCC[N@H+](Cc2cc(N)nn2C)C1 ZINC000408716671 411926864 /nfs/dbraw/zinc/92/68/64/411926864.db2.gz PNYXBTHXNGGLAN-VIFPVBQESA-N 1 0 208.309 1.234 40 0 BDABRO CCc1ncnc2c1CC[N@H+](CC1CC1)CC2 ZINC000096255048 172033851 /nfs/dbraw/zinc/03/38/51/172033851.db2.gz RYSLZIRYORZDDS-UHFFFAOYSA-N 1 0 231.343 1.850 40 0 BDABRO CCn1cc(C[NH2+]C[C@H]2CCCO2)c(C)n1 ZINC000256050084 172172377 /nfs/dbraw/zinc/17/23/77/172172377.db2.gz COSVHJZVSCUJJC-GFCCVEGCSA-N 1 0 223.320 1.480 40 0 BDABRO CCn1cc([C@@H](O)C2(C[NH3+])CCC2)cn1 ZINC000085396166 172196385 /nfs/dbraw/zinc/19/63/85/172196385.db2.gz HRWHYHWKJGSHAG-SNVBAGLBSA-N 1 0 209.293 1.065 40 0 BDABRO CCn1nc(C)c(C[NH2+]CCOC)c1F ZINC000256054357 172247479 /nfs/dbraw/zinc/24/74/79/172247479.db2.gz VZIISFJTIDBYIH-UHFFFAOYSA-N 1 0 215.272 1.087 40 0 BDABRO CCn1ncc(C)c1C[NH2+]Cc1cnn(C)c1C ZINC000256054768 172253911 /nfs/dbraw/zinc/25/39/11/172253911.db2.gz XQZLPFNMBSPTKO-UHFFFAOYSA-N 1 0 247.346 1.543 40 0 BDABRO CCn1ncc(C)c1C[NH2+]C[C@@H]1CCCO1 ZINC000256049709 172253929 /nfs/dbraw/zinc/25/39/29/172253929.db2.gz BBJMLVCNPRHKKH-NSHDSACASA-N 1 0 223.320 1.480 40 0 BDABRO CCn1ncc(CN(C)C[C@@H]2CCC[NH2+]2)c1C ZINC000096523692 172254861 /nfs/dbraw/zinc/25/48/61/172254861.db2.gz VUAZSDHCHYRBKS-ZDUSSCGKSA-N 1 0 236.363 1.395 40 0 BDABRO CN(C(=O)C[NH2+]C1CC1)c1ccccc1 ZINC000037387022 172309837 /nfs/dbraw/zinc/30/98/37/172309837.db2.gz QEBHRPQLMDSQGL-UHFFFAOYSA-N 1 0 204.273 1.401 40 0 BDABRO CN(C(=O)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000049965896 172327491 /nfs/dbraw/zinc/32/74/91/172327491.db2.gz UKLHIRLHIBDAHL-NSHDSACASA-N 1 0 222.263 1.541 40 0 BDABRO CN(C)c1cc(C[C@H]2CCC[NH2+]C2)ncn1 ZINC000257197582 172544821 /nfs/dbraw/zinc/54/48/21/172544821.db2.gz DCXOJNAYWLREJU-SNVBAGLBSA-N 1 0 220.320 1.085 40 0 BDABRO CN1CCCC[C@H](C2CC[NH2+]CC2)C1=O ZINC000257332742 173007211 /nfs/dbraw/zinc/00/72/11/173007211.db2.gz XYMFVHGFUQPFGI-LLVKDONJSA-N 1 0 210.321 1.245 40 0 BDABRO C[N@@H+]1CCC[C@@H]1c1ccnc2nccn21 ZINC000257325992 173035545 /nfs/dbraw/zinc/03/55/45/173035545.db2.gz WVHZAVDZASMQMQ-SECBINFHSA-N 1 0 202.261 1.496 40 0 BDABRO C[N@@H+]1CCC[C@H]1c1cncc(N2CCOC2=O)n1 ZINC000257332724 173058887 /nfs/dbraw/zinc/05/88/87/173058887.db2.gz XYJXYVJXAQDPRO-JTQLQIEISA-N 1 0 248.286 1.200 40 0 BDABRO CN1CC[NH2+]C[C@H](COCc2ccccc2)C1 ZINC000072343643 173096774 /nfs/dbraw/zinc/09/67/74/173096774.db2.gz XCJWQFPPLRMKPF-AWEZNQCLSA-N 1 0 234.343 1.354 40 0 BDABRO C[N@@H+]1CC[C@H](NN)c2cc(Cl)ccc2C1 ZINC000096510462 173154396 /nfs/dbraw/zinc/15/43/96/173154396.db2.gz WSVNPXGKJJDSSM-NSHDSACASA-N 1 0 225.723 1.680 40 0 BDABRO C[NH2+]CC(=O)Nc1cccc(Cl)c1C ZINC000001672755 173333646 /nfs/dbraw/zinc/33/36/46/173333646.db2.gz PHLGMPXDHFXTIP-UHFFFAOYSA-N 1 0 212.680 1.806 40 0 BDABRO C[NH2+]C[C@@H](OC)c1cc(F)ccc1F ZINC000062711473 173365961 /nfs/dbraw/zinc/36/59/61/173365961.db2.gz JPYUNQWXNKIEMC-SNVBAGLBSA-N 1 0 201.216 1.872 40 0 BDABRO C[NH2+]C[C@@H]1COCCN1Cc1ccccc1 ZINC000130757826 173372081 /nfs/dbraw/zinc/37/20/81/173372081.db2.gz GBPHWIAVLZADAK-CYBMUJFWSA-N 1 0 220.316 1.107 40 0 BDABRO C[NH2+]C[C@H](OC)c1c(F)cccc1F ZINC000062711487 173377496 /nfs/dbraw/zinc/37/74/96/173377496.db2.gz FSZGMWCVLBZNEC-VIFPVBQESA-N 1 0 201.216 1.872 40 0 BDABRO C[NH2+]C[C@H](OC)c1ccc2c(c1)OCO2 ZINC000062711417 173377853 /nfs/dbraw/zinc/37/78/53/173377853.db2.gz JXHXORIOHDNMIB-NSHDSACASA-N 1 0 209.245 1.322 40 0 BDABRO C[NH2+]C[C@H]1C[C@H]1CN1CCc2ccccc21 ZINC000096509392 173382961 /nfs/dbraw/zinc/38/29/61/173382961.db2.gz YIRZXPHYFPJYHG-OLZOCXBDSA-N 1 0 216.328 1.905 40 0 BDABRO C[NH2+]Cc1ccnc(Br)c1 ZINC000079438384 173391291 /nfs/dbraw/zinc/39/12/91/173391291.db2.gz KMQWTXXQXBHNJU-UHFFFAOYSA-N 1 0 201.067 1.564 40 0 BDABRO C[NH2+][C@@H](C)[C@H](OC(C)=O)c1ccccc1 ZINC000001999446 173418141 /nfs/dbraw/zinc/41/81/41/173418141.db2.gz WCDSTFHSWVDGPD-CABZTGNLSA-N 1 0 207.273 1.899 40 0 BDABRO COC(=O)c1ccccc1CN1CC[NH2+]C[C@@H]1C ZINC000039952491 173899325 /nfs/dbraw/zinc/89/93/25/173899325.db2.gz RTTSGIMGUPFARD-NSHDSACASA-N 1 0 248.326 1.267 40 0 BDABRO COCCC[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071335409 174247147 /nfs/dbraw/zinc/24/71/47/174247147.db2.gz VONDATHCZLSBCB-UHFFFAOYSA-N 1 0 244.335 1.232 40 0 BDABRO COCC[NH2+]CCOCC1CC(C)C1 ZINC000085390757 174333999 /nfs/dbraw/zinc/33/39/99/174333999.db2.gz VVUYJBUJSKHFND-UHFFFAOYSA-N 1 0 201.310 1.285 40 0 BDABRO COCC[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000256050073 174336362 /nfs/dbraw/zinc/33/63/62/174336362.db2.gz CNEGPUCHLBKKAY-UHFFFAOYSA-N 1 0 237.225 1.175 40 0 BDABRO COc1cc(OC)c(OC)cc1C[C@@H](C)[NH3+] ZINC000002015686 175007443 /nfs/dbraw/zinc/00/74/43/175007443.db2.gz TVSIMAWGATVNGK-MRVPVSSYSA-N 1 0 225.288 1.602 40 0 in-vitro BDABRO COc1cc(OC)c([C@H]2C[C@H]2C[NH3+])c(OC)c1 ZINC000054587023 175008022 /nfs/dbraw/zinc/00/80/22/175008022.db2.gz XUNXISWRMRSWND-WPRPVWTQSA-N 1 0 237.299 1.775 40 0 BDABRO COc1cc([C@H](C[NH3+])OC)c(OC)cc1C ZINC000037627745 175016202 /nfs/dbraw/zinc/01/62/02/175016202.db2.gz VTEIFHQUZWABDE-LBPRGKRZSA-N 1 0 225.288 1.658 40 0 BDABRO COc1cc2c(cc1CC[NH3+])O[C@H](C)C2 ZINC000004426134 175021234 /nfs/dbraw/zinc/02/12/34/175021234.db2.gz TWKGIXJQIPBPSA-MRVPVSSYSA-N 1 0 207.273 1.520 40 0 BDABRO COc1ccc(C2(NC(C)=O)CC[NH2+]CC2)cc1 ZINC000013562956 175084265 /nfs/dbraw/zinc/08/42/65/175084265.db2.gz XGNXGJIPWWKJHY-UHFFFAOYSA-N 1 0 248.326 1.410 40 0 BDABRO COc1ccc(C2(O)CC[NH+](C)CC2)cc1 ZINC000034453226 175084514 /nfs/dbraw/zinc/08/45/14/175084514.db2.gz GCSXGKPZMCKCKJ-UHFFFAOYSA-N 1 0 221.300 1.608 40 0 BDABRO COc1ccc(CN2CC[NH2+]CC2)c(C)c1 ZINC000071453363 175099332 /nfs/dbraw/zinc/09/93/32/175099332.db2.gz FUJYKTZYYPTGRO-UHFFFAOYSA-N 1 0 220.316 1.409 40 0 BDABRO COc1ccc(CN2CCC[C@H]([NH3+])C2)cc1 ZINC000020248658 175100368 /nfs/dbraw/zinc/10/03/68/175100368.db2.gz LBMGSIVSAWHALC-LBPRGKRZSA-N 1 0 220.316 1.618 40 0 BDABRO COc1ccc(C[NH2+]CCCCO)cc1 ZINC000001726603 175106963 /nfs/dbraw/zinc/10/69/63/175106963.db2.gz ILFLMMBLUFMENO-UHFFFAOYSA-N 1 0 209.289 1.557 40 0 BDABRO COc1ccc(C[NH2+]Cc2ccnn2C)cc1 ZINC000002536106 175107966 /nfs/dbraw/zinc/10/79/66/175107966.db2.gz YTQBHZBTXVIECE-UHFFFAOYSA-N 1 0 231.299 1.719 40 0 BDABRO COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2[NH3+])c1 ZINC000019551253 175126296 /nfs/dbraw/zinc/12/62/96/175126296.db2.gz GNRWIYIZHULJGO-PWSUYJOCSA-N 1 0 238.262 1.113 40 0 BDABRO COc1ccc(OC)c(-n2cnc(C[NH3+])c2)c1 ZINC000082546938 175163378 /nfs/dbraw/zinc/16/33/78/175163378.db2.gz VRKRHEHGPWBDQB-UHFFFAOYSA-N 1 0 233.271 1.348 40 0 BDABRO COc1ccc([C@@H]2C[NH2+]CCO2)cc1OC ZINC000002524802 175183939 /nfs/dbraw/zinc/18/39/39/175183939.db2.gz CPYOKVZNTDIYDO-LBPRGKRZSA-N 1 0 223.272 1.365 40 0 BDABRO COc1ccc([C@@H]2C[C@@]2(C[NH3+])CO)cc1 ZINC000062713317 175185032 /nfs/dbraw/zinc/18/50/32/175185032.db2.gz BDUWDTAIMSONOZ-NWDGAFQWSA-N 1 0 207.273 1.120 40 0 BDABRO COc1ccc([C@H]2CN(C)C[C@@H]2[NH3+])cc1 ZINC000216434909 175195514 /nfs/dbraw/zinc/19/55/14/175195514.db2.gz SQPBLMCZKBMQOF-NEPJUHHUSA-N 1 0 206.289 1.052 40 0 BDABRO COc1ccc2c(c1)OCC[C@@]21CC[NH2+]1 ZINC000306145865 175213013 /nfs/dbraw/zinc/21/30/13/175213013.db2.gz UBVVHPXLTLUZBX-LBPRGKRZSA-N 1 0 205.257 1.666 40 0 BDABRO COc1cccc([C@H]2C[C@@]2(C[NH3+])CO)c1 ZINC000062713379 175296961 /nfs/dbraw/zinc/29/69/61/175296961.db2.gz FUPQJSRJAKHGSY-VXGBXAGGSA-N 1 0 207.273 1.120 40 0 BDABRO COc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000038538714 175327522 /nfs/dbraw/zinc/32/75/22/175327522.db2.gz IXGUDVWQYVCUHK-LLVKDONJSA-N 1 0 207.273 1.262 40 0 BDABRO CS(=O)(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000022062111 175439732 /nfs/dbraw/zinc/43/97/32/175439732.db2.gz KMVLMAUQHRUFDO-LLVKDONJSA-N 1 0 239.340 1.557 40 0 in-vitro BDABRO C[C@@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CN(C)CCO1 ZINC000097371047 175913736 /nfs/dbraw/zinc/91/37/36/175913736.db2.gz KNWZWXIIIKKQEL-UTUOFQBUSA-N 1 0 244.404 1.191 40 0 BDABRO C[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000020597487 176092434 /nfs/dbraw/zinc/09/24/34/176092434.db2.gz IBOQKOXRFNFTOA-NEPJUHHUSA-N 1 0 224.348 1.777 40 0 BDABRO C[C@@H]1CC[NH2+][C@H]1c1nc2c(cccc2C(N)=O)[nH]1 ZINC000095635473 176186942 /nfs/dbraw/zinc/18/69/42/176186942.db2.gz FXRVOXLVQCUUGN-GMSGAONNSA-N 1 0 244.298 1.332 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)cc1 ZINC000054370261 176327038 /nfs/dbraw/zinc/32/70/38/176327038.db2.gz FZBKOAFOFNBYCS-SECBINFHSA-N 1 0 238.718 1.774 40 0 BDABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(F)c(F)c1 ZINC000071978820 176327117 /nfs/dbraw/zinc/32/71/17/176327117.db2.gz SLZFSTQFDHZRRM-SECBINFHSA-N 1 0 226.270 1.759 40 0 BDABRO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH2+]C2CC2)C1 ZINC000037390167 176359673 /nfs/dbraw/zinc/35/96/73/176359673.db2.gz VRDNUIRHGMZADW-NXEZZACHSA-N 1 0 210.321 1.243 40 0 BDABRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCCC1 ZINC000087122049 176459456 /nfs/dbraw/zinc/45/94/56/176459456.db2.gz HYNWCGPXMNVYNI-WDEREUQCSA-N 1 0 210.321 1.387 40 0 BDABRO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+]C1CC1 ZINC000037395123 177115107 /nfs/dbraw/zinc/11/51/07/177115107.db2.gz OXJYYZCBPIFBGU-AOOOYVTPSA-N 1 0 210.321 1.528 40 0 BDABRO C[C@H]1C[NH+](C[C@H](O)c2ccccc2)C[C@H](C)O1 ZINC000034863425 177259510 /nfs/dbraw/zinc/25/95/10/177259510.db2.gz SSOPCJHJRAAACK-OBJOEFQTSA-N 1 0 235.327 1.829 40 0 BDABRO C[C@H]1C[C@@H](OC[C@H](O)C[NH3+])CC(C)(C)C1 ZINC000002454819 177338239 /nfs/dbraw/zinc/33/82/39/177338239.db2.gz KXHDTRSUOYXLSW-HBNTYKKESA-N 1 0 215.337 1.537 40 0 BDABRO CNC(=O)C[C@@H](c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000072208315 262721773 /nfs/dbraw/zinc/72/17/73/262721773.db2.gz UHWOETRDJGJSHV-STQMWFEESA-N 1 0 232.327 1.658 40 0 BDABRO C[C@H]([NH3+])[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000072208798 262721845 /nfs/dbraw/zinc/72/18/45/262721845.db2.gz AMZPJKKIQJCKDK-DTWKUNHWSA-N 1 0 244.335 1.706 40 0 BDABRO c1coc(C[NH2+]CCCn2ccnc2)c1 ZINC000034924595 487673218 /nfs/dbraw/zinc/67/32/18/487673218.db2.gz FWWZBBUFADMPRR-UHFFFAOYSA-N 1 0 205.261 1.656 40 0 BDABRO C[NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000211577280 488056877 /nfs/dbraw/zinc/05/68/77/488056877.db2.gz ORGMIXQZUVFNHU-MRVPVSSYSA-N 1 0 200.282 1.215 40 0 BDABRO COc1ccc(Cn2c[nH+]cc2N)c(OC)c1 ZINC000199538715 524266090 /nfs/dbraw/zinc/26/60/90/524266090.db2.gz OZNRRJFWOJDJSA-UHFFFAOYSA-N 1 0 233.271 1.531 40 0 BDABRO [NH3+]C[C@@H]1C[C@H](C(F)(F)F)C[C@H]2OCC[C@@H]21 ZINC000242688408 527220407 /nfs/dbraw/zinc/22/04/07/527220407.db2.gz VPKPDQBQCZBISA-RBXMUDONSA-N 1 0 223.238 1.939 40 0 BDABRO C[NH2+][C@@H]1CCCN(c2ncc(Cl)cn2)C1 ZINC000072203161 536365857 /nfs/dbraw/zinc/36/58/57/536365857.db2.gz RIGJYLWZPKJAFC-SECBINFHSA-N 1 0 226.711 1.318 40 0 BDABRO C[NH2+][C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000053204735 536415468 /nfs/dbraw/zinc/41/54/68/536415468.db2.gz UQSVZPCXVCUPEF-QMMMGPOBSA-N 1 0 226.711 1.318 40 0 BDABRO OC[C@H](c1ccncc1)[NH+]1CCCCC1 ZINC000070453191 632576098 /nfs/dbraw/zinc/57/60/98/632576098.db2.gz ZQXFJONVNAPASU-GFCCVEGCSA-N 1 0 206.289 1.601 40 0 BDABRO Cc1cc(C[N@@H+]2C[C@@H]3C[C@@H](O)C[C@@H]3C2)no1 ZINC000257216894 178007606 /nfs/dbraw/zinc/00/76/06/178007606.db2.gz CWOHNXNDXRJKJA-IAZYJMLFSA-N 1 0 222.288 1.186 40 0 BDABRO CC[N@@H+]1CCCC[C@H]1c1ccnc(N)n1 ZINC000072361079 343979917 /nfs/dbraw/zinc/97/99/17/343979917.db2.gz CDHGKCODVQRJJN-JTQLQIEISA-N 1 0 206.293 1.606 40 0 BDABRO Cc1cc(C[NH2+]Cc2cn(C)nc2C)n(C)n1 ZINC000168738313 178026057 /nfs/dbraw/zinc/02/60/57/178026057.db2.gz SWKPHIPBTNEPGN-UHFFFAOYSA-N 1 0 233.319 1.060 40 0 BDABRO C(C[C@H]1CCOC12CC[NH2+]CC2)OCC1CC1 ZINC000247816240 398177628 /nfs/dbraw/zinc/17/76/28/398177628.db2.gz BJQZPVMXGTTZGM-ZDUSSCGKSA-N 1 0 239.359 1.962 40 0 BDABRO Cc1cc(N2CCC[NH2+]CC2)nc(Cl)n1 ZINC000003716230 178114285 /nfs/dbraw/zinc/11/42/85/178114285.db2.gz LIVQRUCMEAVRGP-UHFFFAOYSA-N 1 0 226.711 1.238 40 0 BDABRO Cc1ccc(-c2cc(CC[NH3+])[nH]n2)cc1 ZINC000041141545 178319922 /nfs/dbraw/zinc/31/99/22/178319922.db2.gz DVSRTLITBRHWOJ-UHFFFAOYSA-N 1 0 201.273 1.886 40 0 BDABRO C[C@@H]([NH3+])[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000072208290 259315593 /nfs/dbraw/zinc/31/55/93/259315593.db2.gz MBRQITQWIPVHIS-PWSUYJOCSA-N 1 0 220.316 1.596 40 0 BDABRO CN(CC[NH3+])Cc1c(F)cccc1Cl ZINC000049345429 342672924 /nfs/dbraw/zinc/67/29/24/342672924.db2.gz HCUGUVYANIQPFQ-UHFFFAOYSA-N 1 0 216.687 1.870 40 0 BDABRO CCOC(=O)[C@H](CN)[C@H](C(C)C)[NH+](CC)CC ZINC000072210495 259316682 /nfs/dbraw/zinc/31/66/82/259316682.db2.gz GBNKWVMMVXFDQT-NEPJUHHUSA-N 1 0 244.379 1.491 40 0 BDABRO CCOC(=O)[C@H](N)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000072210529 259316949 /nfs/dbraw/zinc/31/69/49/259316949.db2.gz GIYCRJHTIHENPE-NEPJUHHUSA-N 1 0 242.363 1.387 40 0 BDABRO CC[NH+](CC)CCNC(=O)c1ccncc1 ZINC000004214796 342744672 /nfs/dbraw/zinc/74/46/72/342744672.db2.gz NATGYNRBXIXCAS-UHFFFAOYSA-N 1 0 221.304 1.153 40 0 BDABRO Clc1nccc(OCC2CC[NH2+]CC2)n1 ZINC000095070341 398279887 /nfs/dbraw/zinc/27/98/87/398279887.db2.gz VZZQIDDTZZHSQO-UHFFFAOYSA-N 1 0 227.695 1.508 40 0 BDABRO CCCC[C@H]1C[C@H](CSC(N)=[NH2+])OC1=O ZINC000005007624 342756661 /nfs/dbraw/zinc/75/66/61/342756661.db2.gz STORFKBLQPNTLC-JGVFFNPUSA-N 1 0 230.333 1.735 40 0 BDABRO O=C(CC[N@H+]1CCC[C@H](CO)C1)c1ccccc1 ZINC000043220484 342790830 /nfs/dbraw/zinc/79/08/30/342790830.db2.gz XWPDSOSNNQNOSM-ZDUSSCGKSA-N 1 0 247.338 1.964 40 0 BDABRO CCSc1nnc(C2CC[NH2+]CC2)o1 ZINC000008039389 342795810 /nfs/dbraw/zinc/79/58/10/342795810.db2.gz SAMUOFXXKHAXSU-UHFFFAOYSA-N 1 0 213.306 1.649 40 0 BDABRO Cc1ccncc1N(C)C[C@H]1CCC[NH2+]C1 ZINC000242718336 259326360 /nfs/dbraw/zinc/32/63/60/259326360.db2.gz XKARMLZKWZCLIT-LBPRGKRZSA-N 1 0 219.332 1.826 40 0 BDABRO COc1ccc([C@H]2C[N@H+](C)C[C@H]2CO)cc1 ZINC000242547834 259325930 /nfs/dbraw/zinc/32/59/30/259325930.db2.gz KUYYGVJYJPSSMR-WCQYABFASA-N 1 0 221.300 1.333 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccc(C)o1 ZINC000217671229 398322486 /nfs/dbraw/zinc/32/24/86/398322486.db2.gz LEWINZHAPWFTQH-VHSXEESVSA-N 1 0 223.272 1.406 40 0 BDABRO CC(C)(C)OC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000026897789 343110704 /nfs/dbraw/zinc/11/07/04/343110704.db2.gz RLYIKVIRRBFAIG-ZDUSSCGKSA-N 1 0 237.343 1.952 40 0 BDABRO C[NH+]1CCC(O)(c2cccc(F)c2)CC1 ZINC000037716952 343311598 /nfs/dbraw/zinc/31/15/98/343311598.db2.gz BXMPMXFPBRGPBB-UHFFFAOYSA-N 1 0 209.264 1.739 40 0 BDABRO C[C@H](NC(=O)C[NH3+])c1cccc(Cl)c1 ZINC000037975722 343314154 /nfs/dbraw/zinc/31/41/54/343314154.db2.gz JTWNXWPOROKFKK-ZETCQYMHSA-N 1 0 212.680 1.476 40 0 BDABRO CCN(Cc1ccccc1F)C(=O)C[NH3+] ZINC000076584903 343366776 /nfs/dbraw/zinc/36/67/76/343366776.db2.gz SKGMKFRNFOCZJY-UHFFFAOYSA-N 1 0 210.252 1.133 40 0 BDABRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000084237641 343585423 /nfs/dbraw/zinc/58/54/23/343585423.db2.gz JXSABJPGAQYNHM-NXEZZACHSA-N 1 0 228.336 1.838 40 0 BDABRO COCCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000584905918 343605613 /nfs/dbraw/zinc/60/56/13/343605613.db2.gz QLNBCBNCHNBBKX-KBPBESRZSA-N 1 0 240.391 1.877 40 0 BDABRO Cc1ccc(OCCN2CC[C@@H]([NH3+])C2)cc1 ZINC000050242957 259369908 /nfs/dbraw/zinc/36/99/08/259369908.db2.gz HSKGKOQMISPIEK-GFCCVEGCSA-N 1 0 220.316 1.407 40 0 BDABRO [NH3+][C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000096517458 343785308 /nfs/dbraw/zinc/78/53/08/343785308.db2.gz ZFULEVVFEHJNFL-NSHDSACASA-N 1 0 229.283 1.341 40 0 BDABRO CNc1cc(N2CCC2)nc(C2CC2)[nH+]1 ZINC000379776482 343796320 /nfs/dbraw/zinc/79/63/20/343796320.db2.gz AESRWWZHWYELCT-UHFFFAOYSA-N 1 0 204.277 1.606 40 0 BDABRO CCc1ccc([C@H]2C[NH2+]C[C@H]2CO)cc1 ZINC000397000905 343811099 /nfs/dbraw/zinc/81/10/99/343811099.db2.gz MWKRFEBDXWBWTE-QWHCGFSZSA-N 1 0 205.301 1.544 40 0 BDABRO Cc1noc(C)c1Cn1cc([C@H](C)[NH3+])cn1 ZINC000575623483 343876370 /nfs/dbraw/zinc/87/63/70/343876370.db2.gz UJTNCEDTAIRDMK-ZETCQYMHSA-N 1 0 220.276 1.556 40 0 BDABRO FC(F)n1cc(C2CC[NH2+]CC2)cn1 ZINC000575623476 343876391 /nfs/dbraw/zinc/87/63/91/343876391.db2.gz UFQUHXDDHQCIJO-UHFFFAOYSA-N 1 0 201.220 1.745 40 0 BDABRO CC(C)(C)OC(=O)N1CC(C[C@@H](F)C[NH3+])C1 ZINC000585142666 343876642 /nfs/dbraw/zinc/87/66/42/343876642.db2.gz UXIGXODDAFKTJI-SECBINFHSA-N 1 0 232.299 1.540 40 0 BDABRO [NH3+]CCn1nc(-c2ccccc2F)ccc1=O ZINC000575622137 343868936 /nfs/dbraw/zinc/86/89/36/343868936.db2.gz HDTBEFPJDRATFS-UHFFFAOYSA-N 1 0 233.246 1.008 40 0 BDABRO NC(=O)[C@@]1(F)CC[N@H+](Cc2ccccc2)C1 ZINC000575621949 343870326 /nfs/dbraw/zinc/87/03/26/343870326.db2.gz FWXAVFBYVKPAJP-GFCCVEGCSA-N 1 0 222.263 1.086 40 0 BDABRO Fc1cccnc1O[C@H]1CSC2(C[NH2+]C2)C1 ZINC000585103587 344133182 /nfs/dbraw/zinc/13/31/82/344133182.db2.gz BTLXVDDLYSXLSG-MRVPVSSYSA-N 1 0 240.303 1.447 40 0 BDABRO CCN1CCC([N@@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086728846 344222096 /nfs/dbraw/zinc/22/20/96/344222096.db2.gz YUIMDAZMDDAEQG-NSHDSACASA-N 1 0 240.347 1.267 40 0 BDABRO C[N@@H+]1CCC[C@H](c2cncc(-c3ncco3)n2)C1 ZINC000585261113 344372815 /nfs/dbraw/zinc/37/28/15/344372815.db2.gz YWPCLZYYTURCQW-JTQLQIEISA-N 1 0 244.298 1.941 40 0 BDABRO COC(=O)C[C@@H]([NH3+])c1c[nH]c2ccccc21 ZINC000044909631 344550272 /nfs/dbraw/zinc/55/02/72/344550272.db2.gz QEIRGWNVWZHYEX-SNVBAGLBSA-N 1 0 218.256 1.731 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)CCO2 ZINC000166459779 344901017 /nfs/dbraw/zinc/90/10/17/344901017.db2.gz FPVCKVJIKXWQKN-NEPJUHHUSA-N 1 0 247.294 1.098 40 0 BDABRO Cc1cccc(-n2ncc3c2nc[nH+]c3NN)c1 ZINC000016776715 179002491 /nfs/dbraw/zinc/00/24/91/179002491.db2.gz DNNRILIYZPCBRP-UHFFFAOYSA-N 1 0 240.270 1.410 40 0 BDABRO Cc1cccc(CN2CC[NH2+]C[C@H]2C)c1 ZINC000041213205 179079237 /nfs/dbraw/zinc/07/92/37/179079237.db2.gz GOIOTTTUSVAYLX-GFCCVEGCSA-N 1 0 204.317 1.789 40 0 BDABRO Cc1cccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]32)c1 ZINC000107205315 179083159 /nfs/dbraw/zinc/08/31/59/179083159.db2.gz WHIREDCXKRHTAY-ZIAGYGMSSA-N 1 0 244.338 1.848 40 0 BDABRO Cc1ccccc1-c1nnc([C@H](C)[NH3+])[nH]1 ZINC000082510269 179236541 /nfs/dbraw/zinc/23/65/41/179236541.db2.gz CMANGHUIHQDMLT-QMMMGPOBSA-N 1 0 202.261 1.800 40 0 BDABRO CCCC12CN3CN(CC(CC)(C3)[C@H]1O)C2 ZINC000036692425 347437350 /nfs/dbraw/zinc/43/73/50/347437350.db2.gz FQUHVUSZWVEWKW-PNESKVBLSA-N 1 0 224.348 1.133 40 0 BDABRO Cc1ccccc1N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000049989064 179294665 /nfs/dbraw/zinc/29/46/65/179294665.db2.gz YIWMAAGHDAJZMO-NSHDSACASA-N 1 0 218.300 1.710 40 0 BDABRO Cc1ccccc1OCc1noc(CC[NH3+])n1 ZINC000019786254 179312557 /nfs/dbraw/zinc/31/25/57/179312557.db2.gz FTLQCKMGNGWMBH-UHFFFAOYSA-N 1 0 233.271 1.458 40 0 BDABRO c1ccc(C[C@H]2COC3(C2)CC[NH2+]CC3)nc1 ZINC000205674872 348571971 /nfs/dbraw/zinc/57/19/71/348571971.db2.gz KXWYPWVXVDJRRD-GFCCVEGCSA-N 1 0 232.327 1.783 40 0 BDABRO Cn1cncc1-c1cncc(C2CC[NH2+]CC2)n1 ZINC000205690781 348575687 /nfs/dbraw/zinc/57/56/87/348575687.db2.gz BYVOTFBQGSJDFP-UHFFFAOYSA-N 1 0 243.314 1.344 40 0 BDABRO O=C1OCCN1c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000205690340 348576138 /nfs/dbraw/zinc/57/61/38/348576138.db2.gz RSQUOFBMMZULAT-JTQLQIEISA-N 1 0 247.298 1.505 40 0 BDABRO O=c1[nH]c([C@H]2CC[NH2+]C2)cc2ncccc21 ZINC000019345436 187416938 /nfs/dbraw/zinc/41/69/38/187416938.db2.gz XOVXBERVUMWZLU-QMMMGPOBSA-N 1 0 215.256 1.000 40 0 BDABRO Cc1nc(CN2CCC3(C[NH2+]C3)C2)cs1 ZINC000096202777 179953412 /nfs/dbraw/zinc/95/34/12/179953412.db2.gz JJZXWJOIBMMNQA-UHFFFAOYSA-N 1 0 223.345 1.247 40 0 BDABRO Cc1nc(N2CC[C@H]([NH3+])C2)cc(C(F)(F)F)n1 ZINC000096516905 180004208 /nfs/dbraw/zinc/00/42/08/180004208.db2.gz MOORUWBJXLETSG-ZETCQYMHSA-N 1 0 246.236 1.341 40 0 BDABRO Cc1nc([C@@H]([NH3+])Cc2ccccc2)nn1C ZINC000082369644 180039956 /nfs/dbraw/zinc/03/99/56/180039956.db2.gz QPMCMTGSLDRROB-NSHDSACASA-N 1 0 216.288 1.366 40 0 BDABRO CC(C)(C)OC(=O)N1CCCC[C@@](O)(C[NH3+])C1 ZINC000096895057 191057561 /nfs/dbraw/zinc/05/75/61/191057561.db2.gz GOTNKKDJDLFKAL-GFCCVEGCSA-N 1 0 244.335 1.097 40 0 BDABRO Nc1ccccc1Nc1cc[nH+]cc1N ZINC000000040389 350313056 /nfs/dbraw/zinc/31/30/56/350313056.db2.gz AJTFYFGONMBHGN-UHFFFAOYSA-N 1 0 200.245 1.990 40 0 BDABRO O=C(c1ccco1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932106 350321903 /nfs/dbraw/zinc/32/19/03/350321903.db2.gz DFKAJRQXHHANAN-SNVBAGLBSA-N 1 0 220.272 1.200 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])C[C@H]1CF ZINC000066351313 187498463 /nfs/dbraw/zinc/49/84/63/187498463.db2.gz QJBVSYYFYCEZGQ-YUMQZZPRSA-N 1 0 218.272 1.293 40 0 BDABRO COC(=O)C12C[C@H]3C[C@H](CC([NH3+])(C3)C1)C2 ZINC000003684529 352347952 /nfs/dbraw/zinc/34/79/52/352347952.db2.gz YCDFPJJVFUVJJF-LRSDLPTKSA-N 1 0 209.289 1.457 40 0 BDABRO C[C@H](Cc1ccc2c(c1)OCO2)[NH+](C)C ZINC000004072716 352557822 /nfs/dbraw/zinc/55/78/22/352557822.db2.gz JEJGUIDNYBAPGN-SECBINFHSA-N 1 0 207.273 1.908 40 0 in-vitro BDABRO COC(=O)[C@@H](N)Cc1c(C)[nH]c2ccccc21 ZINC000044670728 352655830 /nfs/dbraw/zinc/65/58/30/352655830.db2.gz AAGMGVFODZUQBI-NSHDSACASA-N 1 0 232.283 1.519 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])C2(CCC2)C1 ZINC000082359774 188097890 /nfs/dbraw/zinc/09/78/90/188097890.db2.gz LAGSKIGKSYCEMD-SECBINFHSA-N 1 0 226.320 1.735 40 0 BDABRO CC(=O)NC1C[C@H]2CCC[N@H+]3CCC[C@@H](C1)C23 ZINC000001697877 188100447 /nfs/dbraw/zinc/10/04/47/188100447.db2.gz DHIVDSFQGJRQIR-VTXSZYRJSA-N 1 0 236.359 1.776 40 0 BDABRO C[NH+](C)CCOC(=O)[C@@H](O)C1CCCCC1 ZINC000006437028 188103107 /nfs/dbraw/zinc/10/31/07/188103107.db2.gz JKMBHAQBJSWPIK-NSHDSACASA-N 1 0 229.320 1.032 40 0 BDABRO C[NH2+][C@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000070026296 188111628 /nfs/dbraw/zinc/11/16/28/188111628.db2.gz WZFJIVAORYKBMY-QWRGUYRKSA-N 1 0 220.320 1.221 40 0 BDABRO CC(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642172 188114916 /nfs/dbraw/zinc/11/49/16/188114916.db2.gz NKBCXYZYTTYWBL-UHFFFAOYSA-N 1 0 203.245 1.054 40 0 BDABRO Cc1ccc(CC(=O)NCCC[NH+](C)C)c(C)c1 ZINC000074960070 188132971 /nfs/dbraw/zinc/13/29/71/188132971.db2.gz DBTZYQYMKDYTKB-UHFFFAOYSA-N 1 0 248.370 1.914 40 0 BDABRO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000079438563 188137000 /nfs/dbraw/zinc/13/70/00/188137000.db2.gz JXDZSPWVLSANIJ-VXGBXAGGSA-N 1 0 219.332 1.874 40 0 BDABRO CC(C)(C)c1cc(CN2CC[NH2+]CC2)[nH]n1 ZINC000082652022 188139564 /nfs/dbraw/zinc/13/95/64/188139564.db2.gz YRIMIWTXHQCPAT-UHFFFAOYSA-N 1 0 222.336 1.112 40 0 BDABRO C1CCc2c(nnn2[C@H]2CCC[NH2+]C2)C1 ZINC000096515849 188148069 /nfs/dbraw/zinc/14/80/69/188148069.db2.gz QDPCCQMLZIIJJN-VIFPVBQESA-N 1 0 206.293 1.081 40 0 BDABRO CC(C)[NH+]1CCC(Oc2ccncc2N)CC1 ZINC000096526681 188148120 /nfs/dbraw/zinc/14/81/20/188148120.db2.gz ZCSJGQQFWVJZNU-UHFFFAOYSA-N 1 0 235.331 1.915 40 0 BDABRO C1CCC(N2CCO[C@]3(CCC[NH2+]C3)C2)CC1 ZINC000096049051 188148149 /nfs/dbraw/zinc/14/81/49/188148149.db2.gz JLDMPYWQDGDBRT-AWEZNQCLSA-N 1 0 238.375 1.774 40 0 BDABRO CCn1ccc(CN2CCCC[C@H]2C[NH3+])n1 ZINC000096523611 188148317 /nfs/dbraw/zinc/14/83/17/188148317.db2.gz AKVHDZFLJHXGAW-LBPRGKRZSA-N 1 0 222.336 1.216 40 0 BDABRO CC(=O)N[C@@H](NC(C)C)C(=O)c1ccccc1 ZINC000026770682 188180144 /nfs/dbraw/zinc/18/01/44/188180144.db2.gz MPBIVTTULDRGDT-CYBMUJFWSA-N 1 0 234.299 1.330 40 0 BDABRO NC(=[NH2+])Cc1c(F)c(F)c(F)c(F)c1F ZINC000002547516 181187035 /nfs/dbraw/zinc/18/70/35/181187035.db2.gz GDRWBCCAPIFUAG-UHFFFAOYSA-N 1 0 224.132 1.861 40 0 BDABRO NC(=[NH2+])COc1cccc2cccnc21 ZINC000055476660 181186542 /nfs/dbraw/zinc/18/65/42/181186542.db2.gz GOISYCDKSCDUNV-UHFFFAOYSA-N 1 0 201.229 1.550 40 0 BDABRO O[C@]1(COc2cccc(Cl)c2)CCC[NH2+]C1 ZINC000383824404 355366275 /nfs/dbraw/zinc/36/62/75/355366275.db2.gz KKHVKDWIJXOVLO-GFCCVEGCSA-N 1 0 241.718 1.833 40 0 BDABRO NC(=[NH2+])c1cc(O)ccc1Br ZINC000199752849 181194337 /nfs/dbraw/zinc/19/43/37/181194337.db2.gz HRNHVQOMWBBFGA-UHFFFAOYSA-N 1 0 215.050 1.439 40 0 BDABRO O=C1C=CC[C@@H]2[C@@H]3CCC[N@@H+]4CCC[C@H](CN12)[C@H]34 ZINC000005282946 355735351 /nfs/dbraw/zinc/73/53/51/355735351.db2.gz AAGFPTSOPGCENQ-QVHKTLOISA-N 1 0 246.354 1.648 40 0 BDABRO C[C@H]([NH3+])C(=O)NCc1ccc(Cl)cc1 ZINC000011957434 355771453 /nfs/dbraw/zinc/77/14/53/355771453.db2.gz PXOHVEWKXHOMBP-ZETCQYMHSA-N 1 0 212.680 1.303 40 0 BDABRO [NH2+]=c1ccn(C[C@@H](O)COc2ccccc2)cc1 ZINC000001699151 181210600 /nfs/dbraw/zinc/21/06/00/181210600.db2.gz NBUCKBCURZMBSX-CYBMUJFWSA-N 1 0 244.294 1.407 40 0 BDABRO CC/C=C(\C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000216614244 356470778 /nfs/dbraw/zinc/47/07/78/356470778.db2.gz HYDQSJYUQCVBSG-QEFZOKHDSA-N 1 0 224.348 1.929 40 0 BDABRO NC(=O)[C@H](c1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000163203309 181278247 /nfs/dbraw/zinc/27/82/47/181278247.db2.gz YLGCEJFUJPOUQW-VXGBXAGGSA-N 1 0 236.290 1.537 40 0 BDABRO Cc1c2nncn2[nH]c(=O)c1C[NH+]1CCCCC1 ZINC000016249543 356906427 /nfs/dbraw/zinc/90/64/27/356906427.db2.gz GOXOUJHUEIPIOF-UHFFFAOYSA-N 1 0 247.302 1.124 40 0 BDABRO CC(C)[N@H+](C1CCCC1)[C@@H]1CNCC[C@@]1(C)O ZINC000685936088 538756975 /nfs/dbraw/zinc/75/69/75/538756975.db2.gz DIPWZUMYBYQZTB-ZIAGYGMSSA-N 1 0 240.391 1.752 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@H]2C[NH2+][C@H](C2)C1 ZINC000329780328 357346726 /nfs/dbraw/zinc/34/67/26/357346726.db2.gz BHALENJCHGHQOK-NXEZZACHSA-N 1 0 226.320 1.605 40 0 BDABRO CCOC(=O)[C@@H](N)[C@@](C)(CC)[NH+]1CCCCC1 ZINC000072210580 259523537 /nfs/dbraw/zinc/52/35/37/259523537.db2.gz ZHXJDVYDYSMPDL-DGCLKSJQSA-N 1 0 242.363 1.531 40 0 BDABRO CC(C)(C)OC(=O)[C@@H](N)CCCCCCC[NH3+] ZINC000115820637 370696942 /nfs/dbraw/zinc/69/69/42/370696942.db2.gz CZUHROWWGMKXBH-NSHDSACASA-N 1 0 244.379 1.955 40 0 BDABRO [NH3+]CC(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000032090345 181348378 /nfs/dbraw/zinc/34/83/78/181348378.db2.gz ZOOPETOOPWTQHM-UHFFFAOYSA-N 1 0 238.718 1.790 40 0 BDABRO [NH3+]CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000011957239 181355299 /nfs/dbraw/zinc/35/52/99/181355299.db2.gz IVJCSNLTTUZXMV-UHFFFAOYSA-N 1 0 219.071 1.891 40 0 BDABRO NCC[N@@H+]1CCC[C@@H]1CCCn1cccn1 ZINC000022763152 181391340 /nfs/dbraw/zinc/39/13/40/181391340.db2.gz VKLFHQOQSBLRNB-GFCCVEGCSA-N 1 0 222.336 1.086 40 0 BDABRO Nc1nc(-c2ccccc2)c(CCC[NH3+])c(=O)[nH]1 ZINC000008582188 181385494 /nfs/dbraw/zinc/38/54/94/181385494.db2.gz MGMOJOXTRYQASQ-UHFFFAOYSA-N 1 0 244.298 1.323 40 0 in-vitro BDABRO [NH3+]CCc1c[nH]c2ccc(Cn3cncn3)cc12 ZINC000022009199 181411351 /nfs/dbraw/zinc/41/13/51/181411351.db2.gz ICKCDMQZVXCGLB-UHFFFAOYSA-N 1 0 241.298 1.309 40 0 in-vitro BDABRO CCOC(=O)CCC([NH3+])CCC(=O)OCC ZINC000036421305 368323784 /nfs/dbraw/zinc/32/37/84/368323784.db2.gz HCZQWYOOJPFYBS-UHFFFAOYSA-N 1 0 231.292 1.000 40 0 BDABRO [NH3+][C@H]1CC2(CCC2)S(=O)(=O)c2ccccc21 ZINC000114233073 368341431 /nfs/dbraw/zinc/34/14/31/368341431.db2.gz NCIUAXAINSTJNR-JTQLQIEISA-N 1 0 237.324 1.787 40 0 BDABRO CCNC(=O)c1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000205679539 368356106 /nfs/dbraw/zinc/35/61/06/368356106.db2.gz WQXGQMANOFWZRY-SNVBAGLBSA-N 1 0 248.330 1.036 40 0 BDABRO C[NH+]1CCC2(CO[C@@H](Cc3cncnc3)C2)CC1 ZINC000205676150 368356989 /nfs/dbraw/zinc/35/69/89/368356989.db2.gz YWSCPTKJJVMTKZ-ZDUSSCGKSA-N 1 0 247.342 1.520 40 0 BDABRO COc1ccc([C@H]2C[NH2+]CCN2C(C)=O)cc1 ZINC000205681277 368357301 /nfs/dbraw/zinc/35/73/01/368357301.db2.gz ZTSSRMAJOCXINZ-CYBMUJFWSA-N 1 0 234.299 1.188 40 0 BDABRO c1c[nH]c(-c2cc(C[C@@H]3CCC[NH2+]C3)ncn2)n1 ZINC000205687460 368358696 /nfs/dbraw/zinc/35/86/96/368358696.db2.gz WGYVMTAZPVKFNP-JTQLQIEISA-N 1 0 243.314 1.409 40 0 BDABRO c1cnc(C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000205698363 368360182 /nfs/dbraw/zinc/36/01/82/368360182.db2.gz LIBLHKDQFRLRTQ-NQBHXWOUSA-N 1 0 217.316 1.655 40 0 BDABRO [NH3+]C[C@H](CC(=O)N1CCCCC1)c1ccco1 ZINC000062702216 181442914 /nfs/dbraw/zinc/44/29/14/181442914.db2.gz SPFITKNSTBTZNS-NSHDSACASA-N 1 0 236.315 1.725 40 0 BDABRO c1c[nH]c(-c2nccnc2[C@H]2CCC[NH2+]2)n1 ZINC000205690204 369996580 /nfs/dbraw/zinc/99/65/80/369996580.db2.gz CHLYLKGXIPHUBY-MRVPVSSYSA-N 1 0 215.260 1.291 40 0 BDABRO Cn1ccnc1-c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000205687208 369996770 /nfs/dbraw/zinc/99/67/70/369996770.db2.gz GRSRSAVFWYRZJO-VIFPVBQESA-N 1 0 229.287 1.302 40 0 BDABRO C[C@@](O)(c1c[nH+]ccc1N)C(F)(F)F ZINC000256054396 370638061 /nfs/dbraw/zinc/63/80/61/370638061.db2.gz WCGHONGFMNNUJP-SSDOTTSWSA-N 1 0 206.167 1.434 40 0 BDABRO Nc1cccc(OC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000252487744 259547241 /nfs/dbraw/zinc/54/72/41/259547241.db2.gz IBDFYLOQTCYUBO-QYJAPNMZSA-N 1 0 218.300 1.931 40 0 BDABRO C[C@H]1CO[C@@H]2C[C@@H](C(F)(F)F)C[C@@H]([NH3+])[C@@H]12 ZINC000225763368 371576444 /nfs/dbraw/zinc/57/64/44/371576444.db2.gz UFRGULWDRREEHF-OFPUPOEVSA-N 1 0 223.238 1.937 40 0 BDABRO O=c1cccc2n1C[C@@H]1CCC[N@H+]3CCC[C@H]2[C@H]13 ZINC000004083891 372133005 /nfs/dbraw/zinc/13/30/05/372133005.db2.gz MMCQRJPAMIHLQX-ZOWXZIJZSA-N 1 0 244.338 1.820 40 0 biogenic,in-vitro BDABRO O=C(NC1CC[NH2+]CC1)c1c(F)cccc1F ZINC000019405268 182115181 /nfs/dbraw/zinc/11/51/81/182115181.db2.gz QPLXZQSFTLSEGR-UHFFFAOYSA-N 1 0 240.253 1.447 40 0 BDABRO O=C(NC[C@H]1CCC[NH2+]1)c1cccnc1Cl ZINC000079439213 182237423 /nfs/dbraw/zinc/23/74/23/182237423.db2.gz BXCGNNRVCIBXLJ-MRVPVSSYSA-N 1 0 239.706 1.217 40 0 BDABRO O=C1c2c(cccc2F)CN1[C@@H]1CCC[NH2+]C1 ZINC000098213902 182842791 /nfs/dbraw/zinc/84/27/91/182842791.db2.gz RYGPHGGLQSSLRM-SNVBAGLBSA-N 1 0 234.274 1.534 40 0 BDABRO O=c1ccc2c([nH]1)CC[C@H]([NH2+]Cc1ccco1)C2 ZINC000096067512 183001210 /nfs/dbraw/zinc/00/12/10/183001210.db2.gz UCKSAYBLXORMPP-NSHDSACASA-N 1 0 244.294 1.615 40 0 BDABRO O=c1ccc2c([nH]1)CC[C@@H]([NH2+]Cc1ccco1)C2 ZINC000096067511 183001236 /nfs/dbraw/zinc/00/12/36/183001236.db2.gz UCKSAYBLXORMPP-LLVKDONJSA-N 1 0 244.294 1.615 40 0 BDABRO OC1(c2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC000041226778 183022940 /nfs/dbraw/zinc/02/29/40/183022940.db2.gz PRUOWMZBJQVWEG-UHFFFAOYSA-N 1 0 213.227 1.536 40 0 BDABRO OCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000048065127 183071120 /nfs/dbraw/zinc/07/11/20/183071120.db2.gz HSZKVLWXENPBRS-UHFFFAOYSA-N 1 0 209.264 1.782 40 0 BDABRO OCCO[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079390541 183086531 /nfs/dbraw/zinc/08/65/31/183086531.db2.gz VYINATSXGHFSQT-CQSZACIVSA-N 1 0 235.327 1.660 40 0 BDABRO OCCOC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079390533 183087081 /nfs/dbraw/zinc/08/70/81/183087081.db2.gz WLWNWKGPQLYDRR-AWEZNQCLSA-N 1 0 235.327 1.660 40 0 BDABRO OCC[n+]1ccc(-c2ccccc2)cc1 ZINC000005491005 183100762 /nfs/dbraw/zinc/10/07/62/183100762.db2.gz GSMJQVCSZNBKCL-UHFFFAOYSA-N 1 0 200.261 1.633 40 0 BDABRO CCCCn1cc([C@@H](O)C2(C[NH3+])CCC2)cn1 ZINC000085395868 169037178 /nfs/dbraw/zinc/03/71/78/169037178.db2.gz LQYSOMRCYVIKRE-GFCCVEGCSA-N 1 0 237.347 1.846 40 0 BDABRO OC[C@@H]1[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000100133255 183157900 /nfs/dbraw/zinc/15/79/00/183157900.db2.gz NMJRXNUMGKZPHG-CLLJXQQHSA-N 1 0 203.285 1.357 40 0 BDABRO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000005731143 183181788 /nfs/dbraw/zinc/18/17/88/183181788.db2.gz PSMYUZXNSZFMDZ-GFCCVEGCSA-N 1 0 239.290 1.661 40 0 BDABRO O[C@H](C[NH2+]C1CC1)COc1ccc(F)cc1 ZINC000032014945 183222808 /nfs/dbraw/zinc/22/28/08/183222808.db2.gz RPPVFDIILKPXNW-LLVKDONJSA-N 1 0 225.263 1.317 40 0 BDABRO O[C@H]1CC[N@H+](CC2CC2)[C@H]1Cc1cccnc1 ZINC000096061638 183237852 /nfs/dbraw/zinc/23/78/52/183237852.db2.gz LHJPIKTVKVRODB-KBPBESRZSA-N 1 0 232.327 1.469 40 0 BDABRO O[C@H]1CC[N@@H+](C2CCCC2)C[C@@]12CCCO2 ZINC000257206242 183238421 /nfs/dbraw/zinc/23/84/21/183238421.db2.gz BCNWXXGHOMHFIU-STQMWFEESA-N 1 0 225.332 1.545 40 0 BDABRO c1cc(-c2cncc(C3CC[NH2+]CC3)n2)n[nH]1 ZINC000257255333 183329183 /nfs/dbraw/zinc/32/91/83/183329183.db2.gz KHBPUMFHXSJYFU-UHFFFAOYSA-N 1 0 229.287 1.334 40 0 BDABRO CCC[NH+]1CCN(C[C@H]([NH3+])CCSC)CC1 ZINC000096523863 169203301 /nfs/dbraw/zinc/20/33/01/169203301.db2.gz CEKYCLWLJSWZOC-GFCCVEGCSA-N 1 0 245.436 1.094 40 0 BDABRO c1cn2c(cccc2C2CC[NH2+]CC2)n1 ZINC000082382093 183336895 /nfs/dbraw/zinc/33/68/95/183336895.db2.gz ZQUXRCYCHHTDNJ-UHFFFAOYSA-N 1 0 201.273 1.801 40 0 BDABRO c1[nH]nc2cccc(C[C@H]3C[NH2+]CCOC3)c12 ZINC000257197706 183355605 /nfs/dbraw/zinc/35/56/05/183355605.db2.gz GURMQGAFRNBASE-JTQLQIEISA-N 1 0 231.299 1.341 40 0 BDABRO CCCNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000061743374 169236163 /nfs/dbraw/zinc/23/61/63/169236163.db2.gz VSBJXFKUGAUOGO-UHFFFAOYSA-N 1 0 241.379 1.818 40 0 BDABRO CCCOc1c(C)cccc1C[NH2+]CCO ZINC000095094859 169313259 /nfs/dbraw/zinc/31/32/59/169313259.db2.gz SCXUCWXOBNEXHC-UHFFFAOYSA-N 1 0 223.316 1.866 40 0 BDABRO CCCOc1cccc(CNCC[NH3+])c1 ZINC000038038357 169325543 /nfs/dbraw/zinc/32/55/43/169325543.db2.gz FZIRPZJTMNBMDL-UHFFFAOYSA-N 1 0 208.305 1.524 40 0 BDABRO c1cncc(-c2cncc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000072386803 183488182 /nfs/dbraw/zinc/48/81/82/183488182.db2.gz FJKVJEUNENHKFL-NSHDSACASA-N 1 0 226.283 1.963 40 0 BDABRO CCC[C@@H]1C[C@H](O)C[N@@H+]1CCOCC ZINC000217877447 169435824 /nfs/dbraw/zinc/43/58/24/169435824.db2.gz GPEHGFXDSBXEBE-MNOVXSKESA-N 1 0 201.310 1.258 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH3+])[C@H](F)C1 ZINC000169804892 166653461 /nfs/dbraw/zinc/65/34/61/166653461.db2.gz BLNPSYMDOPAVFG-SKDRFNHKSA-N 1 0 246.326 1.930 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]([NH3+])CO2)C1 ZINC000091304416 166653981 /nfs/dbraw/zinc/65/39/81/166653981.db2.gz XRSPAFPVVVLQTD-JOYOIKCWSA-N 1 0 242.319 1.114 40 0 BDABRO CCCc1cc([C@H]2CCCN2CC[NH3+])no1 ZINC000022763146 169568038 /nfs/dbraw/zinc/56/80/38/169568038.db2.gz ICVICHPXPAUQSO-GFCCVEGCSA-N 1 0 223.320 1.723 40 0 BDABRO CN(C)CC(C[NH+](C)C)C(=O)C(C)(C)C ZINC000001591431 383909965 /nfs/dbraw/zinc/90/99/65/383909965.db2.gz JHRFQCDUDJNNMK-UHFFFAOYSA-N 1 0 214.353 1.341 40 0 BDABRO Cc1ccoc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036236638 383888848 /nfs/dbraw/zinc/88/88/48/383888848.db2.gz LWBIPBDCMYOYHF-VHSXEESVSA-N 1 0 220.272 1.022 40 0 BDABRO CC(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000070248631 383897594 /nfs/dbraw/zinc/89/75/94/383897594.db2.gz NDYUIHIYRQKTIG-UHFFFAOYSA-N 1 0 212.337 1.635 40 0 BDABRO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CC12CCC2 ZINC000307142416 383993679 /nfs/dbraw/zinc/99/36/79/383993679.db2.gz JSQIERZWKALRIT-SNVBAGLBSA-N 1 0 240.347 1.901 40 0 BDABRO C[C@@H]1Cc2cc3c(cc2C[N@@H+]1C)OCO3 ZINC000002048248 383948952 /nfs/dbraw/zinc/94/89/52/383948952.db2.gz ZLXWXQYVDYZSGF-MRVPVSSYSA-N 1 0 205.257 1.792 40 0 BDABRO [NH3+][C@@H]1CCC(=O)N[C@H]1c1cccc(F)c1 ZINC000070647542 383949634 /nfs/dbraw/zinc/94/96/34/383949634.db2.gz BPSRREZKQYQQDX-KOLCDFICSA-N 1 0 208.236 1.104 40 0 BDABRO COc1cc(C[NH3+])ccc1OC1CCOCC1 ZINC000070079407 384078412 /nfs/dbraw/zinc/07/84/12/384078412.db2.gz WGQQPXHAMWLVAG-UHFFFAOYSA-N 1 0 237.299 1.712 40 0 BDABRO O=C([O-])C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393336 384133912 /nfs/dbraw/zinc/13/39/12/384133912.db2.gz JWQSNSKVXDPBFK-ZDUSSCGKSA-N 1 0 248.326 1.183 40 0 BDABRO C[N@H+](CCO)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079393493 384134113 /nfs/dbraw/zinc/13/41/13/384134113.db2.gz NTKXQXSJYRKPCO-OAHLLOKOSA-N 1 0 248.370 1.575 40 0 BDABRO CC(=O)N[C@H]1CCCC[C@@H]1N(CC[NH3+])C(C)C ZINC000079405698 384136135 /nfs/dbraw/zinc/13/61/35/384136135.db2.gz CIHCWDAEEWKLMH-STQMWFEESA-N 1 0 241.379 1.103 40 0 BDABRO C[n+]1c2c(c(=O)n3c1-c1ccccc1C3)CCC2 ZINC000005696929 384128104 /nfs/dbraw/zinc/12/81/04/384128104.db2.gz LDGSUJPSGDJBDQ-UHFFFAOYSA-N 1 0 239.298 1.190 40 0 BDABRO CC(C)N(CC(=O)c1ccco1)C(=O)[C@H](C)[NH3+] ZINC000079436291 384146542 /nfs/dbraw/zinc/14/65/42/384146542.db2.gz YNVNPXMKZOLSLZ-VIFPVBQESA-N 1 0 238.287 1.047 40 0 BDABRO CC(C)(C)OC(=O)[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21 ZINC000071257228 384156354 /nfs/dbraw/zinc/15/63/54/384156354.db2.gz NEKNRPZRUGJBHN-LPEHRKFASA-N 1 0 211.305 1.716 40 0 BDABRO CN(CC[NH3+])Cc1nccc2ccccc21 ZINC000079422052 384144216 /nfs/dbraw/zinc/14/42/16/384144216.db2.gz NMJNQTWQXNBGDO-UHFFFAOYSA-N 1 0 215.300 1.625 40 0 BDABRO C[C@@H](C[NH3+])[C@H]1c2ccccc2N(C)C1=O ZINC000100269664 384175607 /nfs/dbraw/zinc/17/56/07/384175607.db2.gz IPQHZOJSZRPBRA-KWQFWETISA-N 1 0 204.273 1.341 40 0 BDABRO CCCCCCC(=O)N1CC[NH2+][C@H](C)C1 ZINC000071978915 384191770 /nfs/dbraw/zinc/19/17/70/384191770.db2.gz LNXZWYZYXWLTGA-LLVKDONJSA-N 1 0 212.337 1.777 40 0 BDABRO c1cn(-c2cncc([C@H]3CCC[NH2+]3)n2)cn1 ZINC000072355926 384210493 /nfs/dbraw/zinc/21/04/93/384210493.db2.gz ZJMUEANJXBMHLE-SECBINFHSA-N 1 0 215.260 1.087 40 0 BDABRO CC(=O)NCC[C@H]1CCCN1c1cc(C)ncn1 ZINC000072369035 384214825 /nfs/dbraw/zinc/21/48/25/384214825.db2.gz NMUPGVVMFSILDA-GFCCVEGCSA-N 1 0 248.330 1.280 40 0 BDABRO Nc1nccc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072357345 384214852 /nfs/dbraw/zinc/21/48/52/384214852.db2.gz FQHWZKHGFMEONY-LBPRGKRZSA-N 1 0 248.330 1.375 40 0 BDABRO Cc1cc(-c2cncnc2[C@@H]2CCC[NH2+]C2)on1 ZINC000072373569 384216490 /nfs/dbraw/zinc/21/64/90/384216490.db2.gz AFAZAGQGXKCVSO-SNVBAGLBSA-N 1 0 244.298 1.907 40 0 BDABRO FC(F)CNc1cnc([C@@H]2CCC[NH2+]C2)cn1 ZINC000072386918 384220106 /nfs/dbraw/zinc/22/01/06/384220106.db2.gz HUWFCHXNWPUYDJ-MRVPVSSYSA-N 1 0 242.273 1.621 40 0 BDABRO C=Cn1ncc(C[N@@H+]2CCC[C@@H](CO)C2)c1C ZINC000072397868 384221260 /nfs/dbraw/zinc/22/12/60/384221260.db2.gz SQFCHFOSRBSOKI-GFCCVEGCSA-N 1 0 235.331 1.496 40 0 BDABRO C[C@@H]([NH3+])c1nc2cnccc2n1C1CC1 ZINC000084132747 384225750 /nfs/dbraw/zinc/22/57/50/384225750.db2.gz WWMRRMVFDUHYCU-SSDOTTSWSA-N 1 0 202.261 1.786 40 0 BDABRO C[NH+]1CCC(CC(=O)NCc2ccncc2)CC1 ZINC000074920923 384312284 /nfs/dbraw/zinc/31/22/84/384312284.db2.gz ZIQZDTAMRXAKDX-UHFFFAOYSA-N 1 0 247.342 1.430 40 0 BDABRO C[NH+]1CCC(C(=O)NCc2ccccn2)CC1 ZINC000074707336 384300637 /nfs/dbraw/zinc/30/06/37/384300637.db2.gz MBMPCCKHWLKGDY-UHFFFAOYSA-N 1 0 233.315 1.040 40 0 BDABRO CC(C)(C)CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000100809664 384344990 /nfs/dbraw/zinc/34/49/90/384344990.db2.gz MXTMMMIPAAPPOO-AOOOYVTPSA-N 1 0 212.337 1.809 40 0 BDABRO [NH3+]CCCc1cccc2c1OC(F)(F)O2 ZINC000044279887 384324306 /nfs/dbraw/zinc/32/43/06/384324306.db2.gz BKVATAVFDKSOIV-UHFFFAOYSA-N 1 0 215.199 1.899 40 0 BDABRO Cc1ncc(Br)cc1C[NH3+] ZINC000095935680 384413810 /nfs/dbraw/zinc/41/38/10/384413810.db2.gz DDTSJJRCDJTGPD-UHFFFAOYSA-N 1 0 201.067 1.611 40 0 BDABRO c1ccc(NCC[NH+]2CCCCC2)nc1 ZINC000001602369 384421936 /nfs/dbraw/zinc/42/19/36/384421936.db2.gz IAEXBEOLWMSJRI-UHFFFAOYSA-N 1 0 205.305 1.979 40 0 BDABRO C[C@H]([NH3+])c1nnc(-c2ccc(F)cc2)[nH]1 ZINC000061843930 384383775 /nfs/dbraw/zinc/38/37/75/384383775.db2.gz GLNJNMUGKZGLQA-LURJTMIESA-N 1 0 206.224 1.631 40 0 BDABRO c1cncc(N2CCC[C@@]3(C[NH2+]CCO3)C2)c1 ZINC000096226325 384444266 /nfs/dbraw/zinc/44/42/66/384444266.db2.gz AMZZWJAZIRCTFJ-CYBMUJFWSA-N 1 0 233.315 1.040 40 0 BDABRO O=C1C[C@H](c2ccccc2)C2(CC[NH2+]CC2)N1 ZINC000096261176 384445801 /nfs/dbraw/zinc/44/58/01/384445801.db2.gz SMRADQIATRNKRA-GFCCVEGCSA-N 1 0 230.311 1.412 40 0 BDABRO C1OCC12CC[NH+](C1CCOCC1)CC2 ZINC000096051238 384429078 /nfs/dbraw/zinc/42/90/78/384429078.db2.gz SWYBMIDFYSKUQX-UHFFFAOYSA-N 1 0 211.305 1.278 40 0 BDABRO [NH3+]CCc1ccncc1Br ZINC000044397776 384437691 /nfs/dbraw/zinc/43/76/91/384437691.db2.gz NXXHWYYVIGHMRR-UHFFFAOYSA-N 1 0 201.067 1.345 40 0 BDABRO c1ncn2c1C[NH2+]C[C@H](COc1ccccn1)C2 ZINC000096207921 384444136 /nfs/dbraw/zinc/44/41/36/384444136.db2.gz WQOULANHPLLWGG-NSHDSACASA-N 1 0 244.298 1.077 40 0 BDABRO C[NH+](C)CCCNC(=O)Cc1ccc(F)cc1 ZINC000047652859 384463018 /nfs/dbraw/zinc/46/30/18/384463018.db2.gz IGWVTVHBJRIWMB-UHFFFAOYSA-N 1 0 238.306 1.436 40 0 BDABRO c1ccc([C@@]23CCC[N@@H+]2CCCN3)cc1 ZINC000019329191 384515373 /nfs/dbraw/zinc/51/53/73/384515373.db2.gz NAKGVDHHANMIQD-CYBMUJFWSA-N 1 0 202.301 1.929 40 0 BDABRO Cc1cc(C[NH3+])ccc1[C@@H]1CNC(=O)C1 ZINC000199775713 384539660 /nfs/dbraw/zinc/53/96/60/384539660.db2.gz QVNSIWBLVKUFED-JTQLQIEISA-N 1 0 204.273 1.057 40 0 BDABRO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000082305811 384664048 /nfs/dbraw/zinc/66/40/48/384664048.db2.gz FWYVSUHKTKWJEY-AWEZNQCLSA-N 1 0 246.354 1.953 40 0 BDABRO CC[NH+]1CCN(c2ncc(C)cc2N)CC1 ZINC000082538028 384690802 /nfs/dbraw/zinc/69/08/02/384690802.db2.gz WAOHTKUTUMAOAQ-UHFFFAOYSA-N 1 0 220.320 1.114 40 0 BDABRO CN(C[C@H]1CCCC[NH2+]1)C(=O)OC(C)(C)C ZINC000079437569 384827467 /nfs/dbraw/zinc/82/74/67/384827467.db2.gz LTMLIVOSJQDOAG-SNVBAGLBSA-N 1 0 228.336 1.995 40 0 BDABRO Cc1nc(-c2ccc(F)cc2)[nH]c(=O)c1C[NH3+] ZINC000084517519 384876979 /nfs/dbraw/zinc/87/69/79/384876979.db2.gz PKQKFQLWRDJEQO-UHFFFAOYSA-N 1 0 233.246 1.343 40 0 BDABRO [NH3+]C[C@H](O)c1cccc(Cl)c1Cl ZINC000013858478 384928365 /nfs/dbraw/zinc/92/83/65/384928365.db2.gz VLSXVFMMYPAJSR-ZETCQYMHSA-N 1 0 206.072 1.986 40 0 BDABRO c1ccc(COC[C@@H]2CC[C@H]3[NH2+]CC[C@H]3O2)nc1 ZINC000107488046 384971591 /nfs/dbraw/zinc/97/15/91/384971591.db2.gz KADOWRCBBOSVRK-BFHYXJOUSA-N 1 0 248.326 1.508 40 0 BDABRO CCCC[NH+](CCCC)C[C@@H](O)CO ZINC000005821188 385048423 /nfs/dbraw/zinc/04/84/23/385048423.db2.gz LQMJZQGFZJSAJH-LLVKDONJSA-N 1 0 203.326 1.242 40 0 BDABRO C[NH+](C)C1CC2(C1)CCN(C(=O)C1CC=CC1)C2 ZINC000108525451 385050697 /nfs/dbraw/zinc/05/06/97/385050697.db2.gz XSYKOSGDGHZMMZ-UHFFFAOYSA-N 1 0 248.370 1.895 40 0 BDABRO Cc1cnc(NCC2CC[NH2+]CC2)nc1Cl ZINC000072203509 385054852 /nfs/dbraw/zinc/05/48/52/385054852.db2.gz QUYTZINOUJXSCM-UHFFFAOYSA-N 1 0 240.738 1.850 40 0 BDABRO CNC(=O)C[C@@H](c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000072208339 385061201 /nfs/dbraw/zinc/06/12/01/385061201.db2.gz HVIYGSUTDMLSMT-KGLIPLIRSA-N 1 0 246.354 1.906 40 0 BDABRO CCNc1ncc(C[NH2+]CCCOC)cn1 ZINC000062717570 385030563 /nfs/dbraw/zinc/03/05/63/385030563.db2.gz DMVBKLXXWSUEJT-UHFFFAOYSA-N 1 0 224.308 1.035 40 0 BDABRO C[NH+](C)C[C@@H](O)COc1ccccc1Cl ZINC000005509062 385038805 /nfs/dbraw/zinc/03/88/05/385038805.db2.gz DCQJMOLLXNYKCU-SECBINFHSA-N 1 0 229.707 1.641 40 0 BDABRO COc1cccc(NCc2n[nH]c([C@@H](C)[NH3+])n2)c1 ZINC000095534659 385046860 /nfs/dbraw/zinc/04/68/60/385046860.db2.gz UEIZWKPAZFDJEH-MRVPVSSYSA-N 1 0 247.302 1.445 40 0 BDABRO Cc1cc(CO)cnc1N1CC[NH+](C(C)C)CC1 ZINC000072222656 385112424 /nfs/dbraw/zinc/11/24/24/385112424.db2.gz LHPJYYUVDDDJDJ-UHFFFAOYSA-N 1 0 249.358 1.413 40 0 BDABRO CC[C@H](O)c1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000072225547 385116437 /nfs/dbraw/zinc/11/64/37/385116437.db2.gz UFXCPFQRRJYCDV-ZDUSSCGKSA-N 1 0 249.358 1.667 40 0 BDABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2cccnc2)C1 ZINC000165495450 385136624 /nfs/dbraw/zinc/13/66/24/385136624.db2.gz XULVRWQNLNNTTN-SNVBAGLBSA-N 1 0 219.288 1.362 40 0 BDABRO C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000061761478 385138567 /nfs/dbraw/zinc/13/85/67/385138567.db2.gz JFRZJYIBCOTKPC-UHFFFAOYSA-N 1 0 210.321 1.341 40 0 BDABRO c1cc(N2CCOCC2)ncc1[C@@H]1CCCC[NH2+]1 ZINC000072216174 385093750 /nfs/dbraw/zinc/09/37/50/385093750.db2.gz KCFLIVYNFVOPHN-ZDUSSCGKSA-N 1 0 247.342 1.733 40 0 BDABRO CCOc1ccc(CCN2CC[C@@H]([NH3+])C2)cc1 ZINC000057954337 385101548 /nfs/dbraw/zinc/10/15/48/385101548.db2.gz QCAIUVLHPUCGMC-CYBMUJFWSA-N 1 0 234.343 1.661 40 0 BDABRO c1nc(N2CCCC2)ncc1C[NH2+]C1CC1 ZINC000048326634 385186302 /nfs/dbraw/zinc/18/63/02/385186302.db2.gz AOKRVVSSQWTHIH-UHFFFAOYSA-N 1 0 218.304 1.329 40 0 BDABRO [NH3+]C[C@@H](O)COCc1ccc(F)c(Cl)c1 ZINC000095096239 385199012 /nfs/dbraw/zinc/19/90/12/385199012.db2.gz AHWXKFOZEIGQLX-MRVPVSSYSA-N 1 0 233.670 1.315 40 0 BDABRO C[NH2+][C@@H]1CCN(C)Cc2ccc(F)cc21 ZINC000096509724 385244510 /nfs/dbraw/zinc/24/45/10/385244510.db2.gz YTUYANYHVAXFBR-GFCCVEGCSA-N 1 0 208.280 1.922 40 0 BDABRO [NH3+][C@H]1CCCCn2c1nnc2C(F)(F)F ZINC000096509932 385246689 /nfs/dbraw/zinc/24/66/89/385246689.db2.gz HDEAHFUEFRLIQE-YFKPBYRVSA-N 1 0 220.198 1.481 40 0 BDABRO Cn1cccc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000096511466 385252033 /nfs/dbraw/zinc/25/20/33/385252033.db2.gz OUGYHTZSUIPPIE-SNVBAGLBSA-N 1 0 246.314 1.617 40 0 BDABRO Cn1cccc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000096511460 385253140 /nfs/dbraw/zinc/25/31/40/385253140.db2.gz FNIDLEUETZOJDF-QMMMGPOBSA-N 1 0 218.260 1.500 40 0 BDABRO Cc1nc(C2CC2)nc(N2CCC([NH3+])CC2)c1C ZINC000096516965 385254924 /nfs/dbraw/zinc/25/49/24/385254924.db2.gz LOBANFPISLRDPR-UHFFFAOYSA-N 1 0 246.358 1.898 40 0 BDABRO [NH3+][C@H]1CCN(c2nc(C3CC3)nc3c2CCC3)C1 ZINC000096516995 385256067 /nfs/dbraw/zinc/25/60/67/385256067.db2.gz WJDKWFHWSHQORR-JTQLQIEISA-N 1 0 244.342 1.380 40 0 BDABRO CCOc1ccccc1CN1CC[C@@H]([NH3+])C1 ZINC000050227804 385312716 /nfs/dbraw/zinc/31/27/16/385312716.db2.gz DTFIYULXVYIYQR-GFCCVEGCSA-N 1 0 220.316 1.618 40 0 BDABRO Fc1cccc(-n2cc3c(n2)CC[NH2+]C3)c1 ZINC000096515743 385258696 /nfs/dbraw/zinc/25/86/96/385258696.db2.gz ZTXPCFLHZAVLGX-UHFFFAOYSA-N 1 0 217.247 1.657 40 0 BDABRO CCn1cc(CN(C)C[C@@H]([NH3+])C(C)C)c(C)n1 ZINC000096523754 385267145 /nfs/dbraw/zinc/26/71/45/385267145.db2.gz IOVHKFXIYRLNQE-CYBMUJFWSA-N 1 0 238.379 1.627 40 0 BDABRO Cc1ccc(CN2CC[C@@H]([NH3+])C2)cc1F ZINC000096523516 385267550 /nfs/dbraw/zinc/26/75/50/385267550.db2.gz JVCHQGVNHIUXDM-LLVKDONJSA-N 1 0 208.280 1.667 40 0 BDABRO CN(C)c1cccc(CN2CC[C@@H]([NH3+])C2)c1 ZINC000096523506 385267835 /nfs/dbraw/zinc/26/78/35/385267835.db2.gz BCPOOWULFFLMKH-GFCCVEGCSA-N 1 0 219.332 1.286 40 0 BDABRO Cc1ccc(N2CC[C@@H](OCC[NH3+])C2)cc1 ZINC000096528314 385274730 /nfs/dbraw/zinc/27/47/30/385274730.db2.gz QIMRBZGUGJQVSA-CYBMUJFWSA-N 1 0 220.316 1.549 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1C ZINC000096524839 385278024 /nfs/dbraw/zinc/27/80/24/385278024.db2.gz FWCANCDIXGABLX-JQWIXIFHSA-N 1 0 241.356 1.818 40 0 BDABRO CC[C@H]([C@@H]([NH3+])c1ccc(N)cc1)S(C)(=O)=O ZINC000096524874 385278252 /nfs/dbraw/zinc/27/82/52/385278252.db2.gz NIIKBCYRVRSINP-MNOVXSKESA-N 1 0 242.344 1.092 40 0 BDABRO COC(=O)c1cc([C@H]([NH3+])CO)ccc1Cl ZINC000250433387 385600325 /nfs/dbraw/zinc/60/03/25/385600325.db2.gz UYEPCBNVDUGPTQ-SECBINFHSA-N 1 0 229.663 1.119 40 0 BDABRO COc1cc(OC)cc([C@H]2C[C@]2(C[NH3+])CO)c1 ZINC000062713692 385697234 /nfs/dbraw/zinc/69/72/34/385697234.db2.gz LNGMZQFCUSVSPE-OLZOCXBDSA-N 1 0 237.299 1.129 40 0 BDABRO COCCC[NH2+]Cc1cnc(SC)nc1 ZINC000062717253 385710588 /nfs/dbraw/zinc/71/05/88/385710588.db2.gz FLIQCWXGARBSGY-UHFFFAOYSA-N 1 0 227.333 1.325 40 0 BDABRO CN(C)c1cccc(C2CC[NH+](CCO)CC2)n1 ZINC000257293266 385761324 /nfs/dbraw/zinc/76/13/24/385761324.db2.gz QOTXWJQKWNUSNI-UHFFFAOYSA-N 1 0 249.358 1.319 40 0 BDABRO C/C(=C\c1ccccc1)CN1CC(=O)N[C@H](C)C1 ZINC000294706719 385886195 /nfs/dbraw/zinc/88/61/95/385886195.db2.gz BNWCQULBFZHYPC-YQCJOKCJSA-N 1 0 244.338 1.910 40 0 BDABRO c1cncc(-c2ncnc3c2CC[NH2+]CC3)c1 ZINC000306142723 385991817 /nfs/dbraw/zinc/99/18/17/385991817.db2.gz XHMHBZWAUXYSKN-UHFFFAOYSA-N 1 0 226.283 1.227 40 0 BDABRO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[NH2+]C[C@H]21 ZINC000306144870 385992688 /nfs/dbraw/zinc/99/26/88/385992688.db2.gz ZQYZSZMIEKVLMY-NEPJUHHUSA-N 1 0 239.322 1.946 40 0 BDABRO COC(=O)c1ccc2c(c1)[C@]1(CC2)COCC[NH2+]1 ZINC000306145879 385993907 /nfs/dbraw/zinc/99/39/07/385993907.db2.gz UORSDILWOXUCHW-AWEZNQCLSA-N 1 0 247.294 1.235 40 0 BDABRO C[NH2+][C@H](C(N)=O)c1ccccc1C(F)(F)F ZINC000037869971 386104950 /nfs/dbraw/zinc/10/49/50/386104950.db2.gz GRGDJLLKWJRZGA-QMMMGPOBSA-N 1 0 232.205 1.451 40 0 BDABRO C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000038121280 386122946 /nfs/dbraw/zinc/12/29/46/386122946.db2.gz ODEUVXRYEADPRF-SECBINFHSA-N 1 0 230.105 1.702 40 0 BDABRO CSCC[C@H]([NH3+])CN1CCC(C)CC1 ZINC000039794784 386158030 /nfs/dbraw/zinc/15/80/30/386158030.db2.gz JOVUEJYZHBTTQW-NSHDSACASA-N 1 0 216.394 1.799 40 0 BDABRO [NH3+]C[C@@H](c1ccc2c(c1)CCO2)N1CCCC1 ZINC000037363616 386230960 /nfs/dbraw/zinc/23/09/60/386230960.db2.gz VBVBMDSLBHOHFL-ZDUSSCGKSA-N 1 0 232.327 1.717 40 0 BDABRO O=C(C1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932657 386943153 /nfs/dbraw/zinc/94/31/53/386943153.db2.gz CQLLMNRUJHSIOZ-GFCCVEGCSA-N 1 0 222.332 1.483 40 0 BDABRO CC(C)n1ncc2c1C[C@@H](C[NH3+])CCC2 ZINC000575424768 387044716 /nfs/dbraw/zinc/04/47/16/387044716.db2.gz MMAUIXWSPLVZIP-JTQLQIEISA-N 1 0 207.321 1.918 40 0 BDABRO CC(C)Cn1c(=O)ccc2c1CC[C@H]([NH3+])C2 ZINC000096086842 387018526 /nfs/dbraw/zinc/01/85/26/387018526.db2.gz GBKGZYCERYCBIP-NSHDSACASA-N 1 0 220.316 1.320 40 0 BDABRO O=C1N(Cc2cccnc2)CC[C@]12CCC[NH2+]C2 ZINC000096224734 387019612 /nfs/dbraw/zinc/01/96/12/387019612.db2.gz PNKIRYPFCHFFCU-AWEZNQCLSA-N 1 0 245.326 1.184 40 0 BDABRO C[C@H]1CC[NH2+][C@H]1c1nc2c(cccc2C(N)=O)[nH]1 ZINC000521205731 387125722 /nfs/dbraw/zinc/12/57/22/387125722.db2.gz FXRVOXLVQCUUGN-OIBJUYFYSA-N 1 0 244.298 1.332 40 0 BDABRO CCO[C@H](C[NH2+]C)c1cccc(OC)c1 ZINC000050482202 387273611 /nfs/dbraw/zinc/27/36/11/387273611.db2.gz JNOKYQVDLQJNHT-GFCCVEGCSA-N 1 0 209.289 1.992 40 0 BDABRO CC(C)C[C@@H]([NH3+])C(=O)N1CCC(C)CC1 ZINC000019504653 387275324 /nfs/dbraw/zinc/27/53/24/387275324.db2.gz KQJZWORGIQZKCE-LLVKDONJSA-N 1 0 212.337 1.618 40 0 BDABRO [NH3+]CCn1ccc(-c2ccc(F)cc2)n1 ZINC000072206335 387854345 /nfs/dbraw/zinc/85/43/45/387854345.db2.gz QLKKKHCUEMLYQA-UHFFFAOYSA-N 1 0 205.236 1.648 40 0 BDABRO CC(C)n1nccc1CNCCC[NH+](C)C ZINC000256051247 387857915 /nfs/dbraw/zinc/85/79/15/387857915.db2.gz IJRIVPFHKUSGAA-UHFFFAOYSA-N 1 0 224.352 1.505 40 0 BDABRO CCCn1cc(C[NH2+]CCCOC)c(C)n1 ZINC000256053689 387862558 /nfs/dbraw/zinc/86/25/58/387862558.db2.gz SKUJQEBBXFLGCH-UHFFFAOYSA-N 1 0 225.336 1.728 40 0 BDABRO CC[C@@H](C)n1nccc1C[NH2+]CCOC ZINC000256055183 387863508 /nfs/dbraw/zinc/86/35/08/387863508.db2.gz ZPIYONIUWNSAMR-SNVBAGLBSA-N 1 0 211.309 1.590 40 0 BDABRO [NH3+][C@H]1CCN(c2cccc(C(F)(F)F)n2)C1 ZINC000050244331 387933161 /nfs/dbraw/zinc/93/31/61/387933161.db2.gz BFXAPMQJGGCUSI-ZETCQYMHSA-N 1 0 231.221 1.638 40 0 BDABRO c1c(CSC2=[NH+]CCCN2)nc2ncccn12 ZINC000016546094 388080676 /nfs/dbraw/zinc/08/06/76/388080676.db2.gz HFIUTFIGURXTRN-UHFFFAOYSA-N 1 0 247.327 1.312 40 0 BDABRO CCc1ccccc1CN1CC[C@@H]([NH3+])C1 ZINC000038538716 388405257 /nfs/dbraw/zinc/40/52/57/388405257.db2.gz BGJSLMXSDOYNAH-CYBMUJFWSA-N 1 0 204.317 1.782 40 0 BDABRO C[N@@H+]1C[C@H](CO)[C@@H](c2ccc(F)cc2)C1 ZINC000141681377 388410514 /nfs/dbraw/zinc/41/05/14/388410514.db2.gz ZMPBLBRIIUTUJO-ZYHUDNBSSA-N 1 0 209.264 1.463 40 0 BDABRO c1cncc(COC[C@H]2CCC[NH2+]C2)c1 ZINC000040434821 388415426 /nfs/dbraw/zinc/41/54/26/388415426.db2.gz JFSBIGCFZPHHAU-LBPRGKRZSA-N 1 0 206.289 1.598 40 0 BDABRO C[NH2+][C@H](C)C(=O)c1cc2c(c(OC)c1)OCO2 ZINC000299817216 388618145 /nfs/dbraw/zinc/61/81/45/388618145.db2.gz MPMHRFOOZMFFBD-SSDOTTSWSA-N 1 0 237.255 1.215 40 0 in-vitro BDABRO Fc1cccc(N2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000038157684 388612933 /nfs/dbraw/zinc/61/29/33/388612933.db2.gz JSBFVPCJAHEFGS-JOYOIKCWSA-N 1 0 206.264 1.624 40 0 BDABRO COC(=O)[C@@H](C(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000248248676 388675765 /nfs/dbraw/zinc/67/57/65/388675765.db2.gz RJCDTPYRVVDLGC-WDEREUQCSA-N 1 0 213.321 1.916 40 0 BDABRO COC(=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000034332906 388682679 /nfs/dbraw/zinc/68/26/79/388682679.db2.gz OIWGWKQKBDJZRH-UHFFFAOYSA-N 1 0 223.272 1.414 40 0 BDABRO Cc1ccncc1[C@@H](C)O[C@H]1CC[NH2+]C1 ZINC000252478584 388652749 /nfs/dbraw/zinc/65/27/49/388652749.db2.gz APXUOFVCOGKFOI-MNOVXSKESA-N 1 0 206.289 1.830 40 0 BDABRO COc1cc(OC)cc([C@@H]2C[C@@]2(C[NH3+])CO)c1 ZINC000062713683 388654953 /nfs/dbraw/zinc/65/49/53/388654953.db2.gz LNGMZQFCUSVSPE-QWHCGFSZSA-N 1 0 237.299 1.129 40 0 BDABRO CCCNc1ncc(C[NH2+]CCCOC)cn1 ZINC000062717719 388656209 /nfs/dbraw/zinc/65/62/09/388656209.db2.gz BERIKDIGGAZUAP-UHFFFAOYSA-N 1 0 238.335 1.425 40 0 BDABRO c1ccc(Nc2nccc([C@@H]3CC[NH2+]C3)n2)nc1 ZINC000257219471 388698016 /nfs/dbraw/zinc/69/80/16/388698016.db2.gz DGXADHHXMVLMJU-SNVBAGLBSA-N 1 0 241.298 1.692 40 0 BDABRO C[NH2+][C@H](C)C(=O)c1cccc2c1OCO2 ZINC000095215372 388761025 /nfs/dbraw/zinc/76/10/25/388761025.db2.gz QZMXFYXIDZEAQA-SSDOTTSWSA-N 1 0 207.229 1.206 40 0 in-vitro BDABRO Cn1cnc([C@@H]([NH3+])Cc2ccccc2)n1 ZINC000095534941 388780352 /nfs/dbraw/zinc/78/03/52/388780352.db2.gz YZJXSOVAWZSKDY-JTQLQIEISA-N 1 0 202.261 1.058 40 0 BDABRO CC(C)(C)n1nccc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000225814174 388847589 /nfs/dbraw/zinc/84/75/89/388847589.db2.gz DMVMTGCRIWNKHC-SECBINFHSA-N 1 0 236.319 1.329 40 0 BDABRO Cc1c[nH]nc1[C@@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000072381934 177680220 /nfs/dbraw/zinc/68/02/20/177680220.db2.gz IOFDCWMWQATEOA-LLVKDONJSA-N 1 0 235.331 1.686 40 0 BDABRO C[N@@H+]1CCC[C@]2(CN(c3ccccc3)CCO2)C1 ZINC000063527631 132241652 /nfs/dbraw/zinc/24/16/52/132241652.db2.gz NUEAHVRCZBMZFA-OAHLLOKOSA-N 1 0 246.354 1.988 40 0 BDABRO COc1cccc(OC)c1N1CC[NH2+]CC1 ZINC000002580783 132315082 /nfs/dbraw/zinc/31/50/82/132315082.db2.gz CAUAGRXHOINATG-UHFFFAOYSA-N 1 0 222.288 1.113 40 0 BDABRO [NH3+]C1CCN(c2ccnc3[nH]ccc32)CC1 ZINC000029050809 132334422 /nfs/dbraw/zinc/33/44/22/132334422.db2.gz ZFBACGKIDNXYRK-UHFFFAOYSA-N 1 0 216.288 1.490 40 0 BDABRO CCOC(=O)c1ccccc1N1CC[NH2+]CC1 ZINC000034549551 132336745 /nfs/dbraw/zinc/33/67/45/132336745.db2.gz GGJCDMYDZDZXHH-UHFFFAOYSA-N 1 0 234.299 1.273 40 0 BDABRO [NH3+][C@@H]1CCCN(c2cc(Cl)ncn2)C1 ZINC000040434296 132347724 /nfs/dbraw/zinc/34/77/24/132347724.db2.gz YBYOBYHSDBXHEZ-SSDOTTSWSA-N 1 0 212.684 1.058 40 0 BDABRO C[N@@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)cn1 ZINC000072374368 132396945 /nfs/dbraw/zinc/39/69/45/132396945.db2.gz KUIQRYLONPCFSO-CQSZACIVSA-N 1 0 247.342 1.685 40 0 BDABRO C[N@H+](CC1(O)CCCC1)[C@H]1CCCC[C@H]1O ZINC000252726131 135102171 /nfs/dbraw/zinc/10/21/71/135102171.db2.gz NTQJWACWITTXLY-NWDGAFQWSA-N 1 0 227.348 1.527 40 0 BDABRO C[NH2+][C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000076675805 398024761 /nfs/dbraw/zinc/02/47/61/398024761.db2.gz CAJKOHIICQBLKG-GFCCVEGCSA-N 1 0 228.336 1.995 40 0 BDABRO c1ccc(O[C@@H]2C[C@@H]3C[NH2+]CCN3C2)cc1 ZINC000101186271 398036024 /nfs/dbraw/zinc/03/60/24/398036024.db2.gz STDVRIRGBVBCJE-DGCLKSJQSA-N 1 0 218.300 1.112 40 0 BDABRO C[NH+](C)C[C@]1(C)Cc2ccsc2[C@H]1O ZINC000001615696 172499696 /nfs/dbraw/zinc/49/96/96/172499696.db2.gz FQCISXOVQQDYON-MNOVXSKESA-N 1 0 211.330 1.906 40 0 BDABRO CCOC(=O)[C@@H](CN)[C@](C)(CC)[NH+](CC)CC ZINC000072210432 322906362 /nfs/dbraw/zinc/90/63/62/322906362.db2.gz IXTGTFBYFGOFFI-YPMHNXCESA-N 1 0 244.379 1.635 40 0 BDABRO CC(C)[NH2+][C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC000096067553 167134426 /nfs/dbraw/zinc/13/44/26/167134426.db2.gz PNGZMYLFBYXLCF-SNVBAGLBSA-N 1 0 206.289 1.230 40 0 BDABRO CC(C)Oc1ccccc1CNCC[NH3+] ZINC000037712862 167310592 /nfs/dbraw/zinc/31/05/92/167310592.db2.gz YLDMAGQGUVMMOO-UHFFFAOYSA-N 1 0 208.305 1.522 40 0 BDABRO CCOc1cccc2c1NC[C@@H](C[NH3+])[C@H]2O ZINC000217538105 411181992 /nfs/dbraw/zinc/18/19/92/411181992.db2.gz XRPXBHTXPHARQS-PRHODGIISA-N 1 0 222.288 1.119 40 0 BDABRO CCN(CC)c1cc(O[C@H]2CC[NH2+]C2)ncn1 ZINC000079440202 169803451 /nfs/dbraw/zinc/80/34/51/169803451.db2.gz VDXNECSUJPQOLY-JTQLQIEISA-N 1 0 236.319 1.064 40 0 BDABRO CO[C@@H]1C[NH2+][C@@H](c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253536369 411300641 /nfs/dbraw/zinc/30/06/41/411300641.db2.gz OYFVHHHKDBXZHN-GZMMTYOYSA-N 1 0 245.282 1.385 40 0 BDABRO CC1=[N+](CCS(C)(=O)=O)[C@H](C)CCC1 ZINC000004974999 168137402 /nfs/dbraw/zinc/13/74/02/168137402.db2.gz CEDNCFYVPKDENL-SECBINFHSA-N 1 0 218.342 1.077 40 0 BDABRO CC1CC(C[NH3+])([C@H](O)c2cccnc2)C1 ZINC000085396214 168138864 /nfs/dbraw/zinc/13/88/64/168138864.db2.gz DRSHYXKSVPUBHS-CKBZRRDASA-N 1 0 206.289 1.490 40 0 BDABRO CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000074920896 168171362 /nfs/dbraw/zinc/17/13/62/168171362.db2.gz ZOJRAQWENSMNOX-UHFFFAOYSA-N 1 0 238.375 1.977 40 0 BDABRO CC[N@@H+]1CC[C@@H](CO)N(C)c2cccnc2C1 ZINC000225495551 170010604 /nfs/dbraw/zinc/01/06/04/170010604.db2.gz QIPSGYMAHRQPEF-NSHDSACASA-N 1 0 235.331 1.104 40 0 biogenic,in-vitro BDABRO CC[N@@H+]1CC[C@H](c2cc(=O)cc(C)[nH]2)C1 ZINC000257287973 170024465 /nfs/dbraw/zinc/02/44/65/170024465.db2.gz PSGNGWJSYJQNKY-JTQLQIEISA-N 1 0 206.289 1.905 40 0 BDABRO CCNc1cc(C2CC2)[nH+]c(N[C@@H](C)CC)n1 ZINC000329072572 170041402 /nfs/dbraw/zinc/04/14/02/170041402.db2.gz ZZXUZOKAQYXMAE-VIFPVBQESA-N 1 0 234.347 1.840 40 0 BDABRO CCOC(=O)C(F)(F)[C@@H]1CCC[NH2+]C1 ZINC000217481419 170187915 /nfs/dbraw/zinc/18/79/15/170187915.db2.gz KBJDIDKGPLYXQU-SSDOTTSWSA-N 1 0 207.220 1.184 40 0 BDABRO CCOC(=O)CC[NH2+]Cc1ccccn1 ZINC000036667743 170208926 /nfs/dbraw/zinc/20/89/26/170208926.db2.gz ZRSMDZNEESALEL-UHFFFAOYSA-N 1 0 208.261 1.124 40 0 BDABRO CCOCCC[NH2+]Cc1c(C)nn(CC)c1F ZINC000256050255 170380875 /nfs/dbraw/zinc/38/08/75/170380875.db2.gz DIJXSXVOVGZKKU-UHFFFAOYSA-N 1 0 243.326 1.867 40 0 BDABRO CCS(=O)(=O)[C@@H]1[C@@H]([NH3+])[C@@H]1c1cccc(F)c1 ZINC000218545657 170622538 /nfs/dbraw/zinc/62/25/38/170622538.db2.gz VKDAXLOTUGJBND-DCAQKATOSA-N 1 0 243.303 1.054 40 0 BDABRO CC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000006440689 171342119 /nfs/dbraw/zinc/34/21/19/171342119.db2.gz KPWWZNXTPVTMJE-RYUDHWBXSA-N 1 0 223.316 1.814 40 0 BDABRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccn1 ZINC000011805474 171395786 /nfs/dbraw/zinc/39/57/86/171395786.db2.gz SBCMBPWGCXAFCF-ONGXEEELSA-N 1 0 221.304 1.071 40 0 BDABRO CCn1cc(C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000050539441 172170190 /nfs/dbraw/zinc/17/01/90/172170190.db2.gz AUPZYIHGKKBZJG-NSHDSACASA-N 1 0 209.293 1.172 40 0 BDABRO CCn1cc(C[NH2+]CCCOC)c(C)n1 ZINC000256053961 172170996 /nfs/dbraw/zinc/17/09/96/172170996.db2.gz UJJNWNIKJXOZIF-UHFFFAOYSA-N 1 0 211.309 1.338 40 0 BDABRO CCn1cc(C[NH2+]Cc2c(C)cnn2C)cn1 ZINC000256050403 172172772 /nfs/dbraw/zinc/17/27/72/172172772.db2.gz DWGQTGUYWAZPNP-UHFFFAOYSA-N 1 0 233.319 1.235 40 0 BDABRO CCn1nc(C)c(CN2CCC[NH2+]CC2)c1C ZINC000307963253 172246059 /nfs/dbraw/zinc/24/60/59/172246059.db2.gz FGGLIBMRJOSCJC-UHFFFAOYSA-N 1 0 236.363 1.315 40 0 BDABRO CCn1nccc1C[NH2+]C[C@@H]1CCCO1 ZINC000096033642 172271042 /nfs/dbraw/zinc/27/10/42/172271042.db2.gz UKIFPNXSFNONRS-NSHDSACASA-N 1 0 209.293 1.172 40 0 BDABRO CN(C)C(=O)Oc1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000002046766 172382575 /nfs/dbraw/zinc/38/25/75/172382575.db2.gz WWJUDKWORQNUFC-LLVKDONJSA-N 1 0 249.314 1.909 40 0 BDABRO CN(C)C(=O)Oc1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000001695368 172384125 /nfs/dbraw/zinc/38/41/25/172384125.db2.gz CXBVRHNOFNLISC-NSHDSACASA-N 1 0 249.314 1.909 40 0 BDABRO C[NH+]1CCC(c2cncc(N3CCCC3)n2)CC1 ZINC000072386405 173002292 /nfs/dbraw/zinc/00/22/92/173002292.db2.gz PTMVHDQSYSEGCY-UHFFFAOYSA-N 1 0 246.358 1.886 40 0 BDABRO CN(C)c1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072381279 173023955 /nfs/dbraw/zinc/02/39/55/173023955.db2.gz SMQZPISRUTZHRD-SNVBAGLBSA-N 1 0 220.320 1.352 40 0 BDABRO C[N@@H+]1CCC[C@H](C(=O)NCc2cccnc2)C1 ZINC000082308548 173039658 /nfs/dbraw/zinc/03/96/58/173039658.db2.gz VMMUPJZVBSKQNM-LBPRGKRZSA-N 1 0 233.315 1.040 40 0 BDABRO CN(C)c1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072381278 173048825 /nfs/dbraw/zinc/04/88/25/173048825.db2.gz SMQZPISRUTZHRD-JTQLQIEISA-N 1 0 220.320 1.352 40 0 BDABRO C[N@@H+]1CCC[C@H](c2cnc(-n3ccnc3)cn2)C1 ZINC000072386557 173049120 /nfs/dbraw/zinc/04/91/20/173049120.db2.gz ANZSZKZBXQVQEG-NSHDSACASA-N 1 0 243.314 1.472 40 0 BDABRO CN1CC[N@H+](CC2CC2)Cc2cccnc21 ZINC000096060918 173079490 /nfs/dbraw/zinc/07/94/90/173079490.db2.gz VTPAGAYCBLHRJL-UHFFFAOYSA-N 1 0 217.316 1.743 40 0 BDABRO CN1CCO[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000096215828 173104277 /nfs/dbraw/zinc/10/42/77/173104277.db2.gz MMGKKVSUFGJNAC-LSDHHAIUSA-N 1 0 246.354 1.449 40 0 BDABRO C[N@@H+]1CC[C@@H](Cc2ccnc(-c3cc[nH]n3)c2)C1 ZINC000257276936 173117302 /nfs/dbraw/zinc/11/73/02/173117302.db2.gz NVTLEYODTSBSPM-LBPRGKRZSA-N 1 0 242.326 1.966 40 0 BDABRO CN(C)c1cc(C[C@H]2CC[N@H+](C)C2)ncn1 ZINC000072381292 173146703 /nfs/dbraw/zinc/14/67/03/173146703.db2.gz VBTISXPZWRQJSQ-SNVBAGLBSA-N 1 0 220.320 1.037 40 0 BDABRO CN1CCc2c1cccc2C[NH2+]C1CC1 ZINC000217518119 173167378 /nfs/dbraw/zinc/16/73/78/173167378.db2.gz HBLIEYDNZKWCJV-UHFFFAOYSA-N 1 0 202.301 1.931 40 0 BDABRO C[NH+]1C[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC000063527605 173187944 /nfs/dbraw/zinc/18/79/44/173187944.db2.gz OFWWUNODGAZMAH-CHWSQXEVSA-N 1 0 230.311 1.320 40 0 BDABRO CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(F)C1=O ZINC000096261727 173188945 /nfs/dbraw/zinc/18/89/45/173188945.db2.gz ZIQKANJBWPGOPV-TZMCWYRMSA-N 1 0 248.301 1.299 40 0 BDABRO C[N@@H+]1C[C@@H]2C[C@]2(NC(=O)Cc2cccs2)C1 ZINC000096081843 173190823 /nfs/dbraw/zinc/19/08/23/173190823.db2.gz MSDIMUBFWXUZEX-CABZTGNLSA-N 1 0 236.340 1.111 40 0 BDABRO C[N@@H+]1C[C@H](CO)[C@H](c2ccccc2Cl)C1 ZINC000217672733 173192966 /nfs/dbraw/zinc/19/29/66/173192966.db2.gz DDZZQUCYKMUZND-MWLCHTKSSA-N 1 0 225.719 1.978 40 0 BDABRO C[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000037387761 173325530 /nfs/dbraw/zinc/32/55/30/173325530.db2.gz BYJIFKBBVJUJTI-UHFFFAOYSA-N 1 0 246.354 1.687 40 0 BDABRO C[NH2+]CC(=O)N1CCC(c2ccccn2)CC1 ZINC000072361456 173326668 /nfs/dbraw/zinc/32/66/68/173326668.db2.gz CVRKIBBXGLXMRK-UHFFFAOYSA-N 1 0 233.315 1.007 40 0 BDABRO C[NH2+]C[C@H](O)c1ccc(Br)c(O)c1 ZINC000077284969 173377238 /nfs/dbraw/zinc/37/72/38/173377238.db2.gz HORCUMBGZJNHOT-VIFPVBQESA-N 1 0 246.104 1.408 40 0 in-vitro BDABRO C[NH2+]C[C@H](O)c1cccc(O)c1Br ZINC000077284964 173377413 /nfs/dbraw/zinc/37/74/13/173377413.db2.gz HXZDJJDNNIKGPS-QMMMGPOBSA-N 1 0 246.104 1.408 40 0 in-vitro BDABRO C[NH2+]Cc1cc(-c2c(C)nn(C)c2C)on1 ZINC000035655532 173384726 /nfs/dbraw/zinc/38/47/26/173384726.db2.gz YDXONECHVDCFAI-UHFFFAOYSA-N 1 0 220.276 1.411 40 0 BDABRO COCC(=O)N1CCC2(CCCC[N@@H+]2C)CC1 ZINC000096051208 174040353 /nfs/dbraw/zinc/04/03/53/174040353.db2.gz ICEJEOQUOKLMEA-UHFFFAOYSA-N 1 0 240.347 1.110 40 0 BDABRO COCC(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013425060 174062858 /nfs/dbraw/zinc/06/28/58/174062858.db2.gz HFNRVGNQFRTRRF-NEPJUHHUSA-N 1 0 241.331 1.441 40 0 BDABRO COCCN(Cc1cccs1)C[C@@H](C)[NH3+] ZINC000096523891 174300924 /nfs/dbraw/zinc/30/09/24/174300924.db2.gz PPOYLRZJDSCXJQ-SNVBAGLBSA-N 1 0 228.361 1.544 40 0 BDABRO COCC[NH+]1CCC(c2csc(N)n2)CC1 ZINC000072367908 174304687 /nfs/dbraw/zinc/30/46/87/174304687.db2.gz RCNFLVXZEIMOCZ-UHFFFAOYSA-N 1 0 241.360 1.551 40 0 BDABRO COCC[N@@H+]1CCC[C@H]1c1cncc(C)n1 ZINC000072357055 174308214 /nfs/dbraw/zinc/30/82/14/174308214.db2.gz ZJZQUAUILANNCL-LBPRGKRZSA-N 1 0 221.304 1.568 40 0 BDABRO COCC[N@@H+]1CC[C@@H](OC)[C@@H]1Cc1ccccc1 ZINC000096200065 174313903 /nfs/dbraw/zinc/31/39/03/174313903.db2.gz HJOYELJWFYWHMX-LSDHHAIUSA-N 1 0 249.354 1.965 40 0 BDABRO COCC[N@@H+]1CC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000096200365 174316013 /nfs/dbraw/zinc/31/60/13/174316013.db2.gz HJFFKKKKYSNFMV-KBPBESRZSA-N 1 0 235.327 1.311 40 0 BDABRO COCC[NH2+]CCO[C@@H]1CCc2ccccc21 ZINC000085393953 174333330 /nfs/dbraw/zinc/33/33/30/174333330.db2.gz NMEFOLROFOBJHF-CQSZACIVSA-N 1 0 235.327 1.927 40 0 BDABRO COCC[NH2+]CCOc1cnc2ccccc2c1 ZINC000085391341 174333389 /nfs/dbraw/zinc/33/33/89/174333389.db2.gz BPCHYJQMOARZIF-UHFFFAOYSA-N 1 0 246.310 1.850 40 0 BDABRO COc1ccc(C2(CN3CC[NH2+]CC3)CC2)cc1 ZINC000057535838 175084722 /nfs/dbraw/zinc/08/47/22/175084722.db2.gz KPWTUPLYFHMALC-UHFFFAOYSA-N 1 0 246.354 1.632 40 0 BDABRO COc1ccc(NC2CC[NH2+]CC2)nc1 ZINC000098213734 175149353 /nfs/dbraw/zinc/14/93/53/175149353.db2.gz BKZUTAUJWOBKBO-UHFFFAOYSA-N 1 0 207.277 1.254 40 0 BDABRO COc1ccc(N[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000218874934 175154284 /nfs/dbraw/zinc/15/42/84/175154284.db2.gz XXDNHQXVLGQASR-VXGBXAGGSA-N 1 0 206.289 1.987 40 0 BDABRO COc1ccc(OCC[NH2+]C2CC2)cc1 ZINC000020361148 175172723 /nfs/dbraw/zinc/17/27/23/175172723.db2.gz GEDRFLMRWRNXGV-UHFFFAOYSA-N 1 0 207.273 1.826 40 0 BDABRO COc1ccc([C@@H]2CN(C)C[C@H]2[NH3+])cc1 ZINC000082378578 175183483 /nfs/dbraw/zinc/18/34/83/175183483.db2.gz SQPBLMCZKBMQOF-NWDGAFQWSA-N 1 0 206.289 1.052 40 0 BDABRO COc1ccc([C@@H]2C[C@]2(C[NH3+])CO)c(OC)c1 ZINC000062713442 175185567 /nfs/dbraw/zinc/18/55/67/175185567.db2.gz CBWDXNOKMLDGHE-AAEUAGOBSA-N 1 0 237.299 1.129 40 0 BDABRO COc1ccc([C@H]2CN(C)C[C@H]2[NH3+])c(OC)c1 ZINC000082331247 175195860 /nfs/dbraw/zinc/19/58/60/175195860.db2.gz TUJBJQKETRTNLU-VXGBXAGGSA-N 1 0 236.315 1.060 40 0 BDABRO COc1cccc(C2(O)CC[NH+](C)CC2)c1 ZINC000034111833 175248968 /nfs/dbraw/zinc/24/89/68/175248968.db2.gz LBZLINTVNISAPP-UHFFFAOYSA-N 1 0 221.300 1.608 40 0 BDABRO COc1cccc2c1C[C@H](CO)[N@H+](C)C2 ZINC000095470431 175303343 /nfs/dbraw/zinc/30/33/43/175303343.db2.gz KONKAKAQKXKOCP-SNVBAGLBSA-N 1 0 207.273 1.044 40 0 BDABRO COc1ccccc1CN(C)C(=O)[C@H](C)[NH3+] ZINC000038059161 175324745 /nfs/dbraw/zinc/32/47/45/175324745.db2.gz ODXBUMZSQIAFTH-VIFPVBQESA-N 1 0 222.288 1.001 40 0 BDABRO COc1ccccc1CN1CCC[C@@H]([NH3+])C1 ZINC000038539480 175328365 /nfs/dbraw/zinc/32/83/65/175328365.db2.gz XPVNDSRDSMMTNO-GFCCVEGCSA-N 1 0 220.316 1.618 40 0 BDABRO COc1ccccc1Cn1cncc1C[NH3+] ZINC000085196257 175334987 /nfs/dbraw/zinc/33/49/87/175334987.db2.gz UPWCYJWGROMAOU-UHFFFAOYSA-N 1 0 217.272 1.399 40 0 BDABRO COc1ccccc1NC[C@H]1COCC[NH2+]1 ZINC000216592547 175338056 /nfs/dbraw/zinc/33/80/56/175338056.db2.gz MWUHJKHQGRPYKN-JTQLQIEISA-N 1 0 222.288 1.096 40 0 BDABRO COc1ccccc1NC[C@@H]1COCC[NH2+]1 ZINC000216592495 175338221 /nfs/dbraw/zinc/33/82/21/175338221.db2.gz MWUHJKHQGRPYKN-SNVBAGLBSA-N 1 0 222.288 1.096 40 0 BDABRO COc1ccccc1[C@H]1CN(C)C[C@@H]1[NH3+] ZINC000216434990 175355311 /nfs/dbraw/zinc/35/53/11/175355311.db2.gz RBSOSCGVVTWKBK-MNOVXSKESA-N 1 0 206.289 1.052 40 0 BDABRO COc1cccnc1O[C@@H]1CCC[NH2+]C1 ZINC000095483722 175356889 /nfs/dbraw/zinc/35/68/89/175356889.db2.gz RIGPLEKVAMZBAG-SECBINFHSA-N 1 0 208.261 1.221 40 0 BDABRO C[C@@H](CC[NH2+][C@H]1CCCSC1)[S@](C)=O ZINC000097370929 175675352 /nfs/dbraw/zinc/67/53/52/175675352.db2.gz SFZPLFHIPZQDPK-PKFCDNJMSA-N 1 0 235.418 1.629 40 0 BDABRO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000100176675 176036707 /nfs/dbraw/zinc/03/67/07/176036707.db2.gz ZXTPHABXDVSFCI-WDEREUQCSA-N 1 0 221.304 1.242 40 0 BDABRO C[C@@H](c1nccs1)N(C(=O)C[NH3+])C1CC1 ZINC000079436249 176039453 /nfs/dbraw/zinc/03/94/53/176039453.db2.gz CRVSIOGQYHTTNA-ZETCQYMHSA-N 1 0 225.317 1.154 40 0 BDABRO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000037388775 176078929 /nfs/dbraw/zinc/07/89/29/176078929.db2.gz ATXPKMUYJYYRAP-KOLCDFICSA-N 1 0 210.321 1.433 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)Cc1ccccc1 ZINC000054369913 176325726 /nfs/dbraw/zinc/32/57/26/176325726.db2.gz SMDZTRJGADQMTK-LLVKDONJSA-N 1 0 218.300 1.049 40 0 BDABRO C[C@@H]1[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC000238397975 176463037 /nfs/dbraw/zinc/46/30/37/176463037.db2.gz QYYZYCFTSSDRPU-XHNCKOQMSA-N 1 0 212.293 1.214 40 0 BDABRO C[C@H]([C@H]([NH3+])c1cccc(F)c1)S(C)(=O)=O ZINC000096524788 177030517 /nfs/dbraw/zinc/03/05/17/177030517.db2.gz JBWUTPYLRAAHBX-XCBNKYQSSA-N 1 0 231.292 1.259 40 0 BDABRO C[C@@H]1CCC[C@H](C)C1N(C)C(=O)CC[NH3+] ZINC000195542394 177113906 /nfs/dbraw/zinc/11/39/06/177113906.db2.gz DKWPBPXIQQVNGH-DHHPTOIESA-N 1 0 212.337 1.618 40 0 BDABRO C[C@H]1C[NH2+]CCN1CCCc1ccccc1 ZINC000041232110 177283891 /nfs/dbraw/zinc/28/38/91/177283891.db2.gz PLDXPZMYCKMIKL-ZDUSSCGKSA-N 1 0 218.344 1.913 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccccc1F ZINC000054370298 177283955 /nfs/dbraw/zinc/28/39/55/177283955.db2.gz XRWAWVRXTNJFBT-VIFPVBQESA-N 1 0 222.263 1.260 40 0 BDABRO C[C@H]1C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000084237611 177285453 /nfs/dbraw/zinc/28/54/53/177285453.db2.gz WIBUZVNGCRFGHO-ZJUUUORDSA-N 1 0 228.336 1.757 40 0 BDABRO C[C@H]1C[C@H](OC[C@H](O)C[NH3+])CC(C)(C)C1 ZINC000003865968 177374506 /nfs/dbraw/zinc/37/45/06/177374506.db2.gz KXHDTRSUOYXLSW-AXFHLTTASA-N 1 0 215.337 1.537 40 0 BDABRO C[C@H]1C[C@](O)(c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000226731463 177386970 /nfs/dbraw/zinc/38/69/70/177386970.db2.gz QBPQEQQKSQOQBI-GMXVVIOVSA-N 1 0 205.301 1.892 40 0 BDABRO c1ccc2c(c1)CCC[C@]21COCC[NH2+]1 ZINC000083344041 488029459 /nfs/dbraw/zinc/02/94/59/488029459.db2.gz MWVJFPJJSLDRLY-ZDUSSCGKSA-N 1 0 203.285 1.838 40 0 BDABRO Cc1noc([C@H]2C[NH2+]C[C@@H]2c2cccnc2)n1 ZINC000328579739 490103564 /nfs/dbraw/zinc/10/35/64/490103564.db2.gz YZAPMRNPFAYYTE-MNOVXSKESA-N 1 0 230.271 1.244 40 0 BDABRO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000225777118 521039480 /nfs/dbraw/zinc/03/94/80/521039480.db2.gz DXSRNPGUNMTMDU-KWQFWETISA-N 1 0 220.272 1.148 40 0 BDABRO CCCn1nccc1C[NH2+]Cc1cn(C)nc1C ZINC000020349862 521673252 /nfs/dbraw/zinc/67/32/52/521673252.db2.gz SLAOEXZHCPMQHB-UHFFFAOYSA-N 1 0 247.346 1.625 40 0 BDABRO CCc1ccc(CN2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC000253606667 523930788 /nfs/dbraw/zinc/93/07/88/523930788.db2.gz RHCOBWPGWAVOJU-ZIAGYGMSSA-N 1 0 216.328 1.782 40 0 BDABRO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000225775938 523963210 /nfs/dbraw/zinc/96/32/10/523963210.db2.gz PNWPOVHLVNJJCM-KWQFWETISA-N 1 0 204.273 1.311 40 0 BDABRO Cc1ccccc1C[C@@H]1C[N@@H+]2CCC[C@H]2CN1 ZINC000039957306 525194491 /nfs/dbraw/zinc/19/44/91/525194491.db2.gz VRIIUAGNYBJCGT-CABCVRRESA-N 1 0 230.355 1.974 40 0 BDABRO Cc1ccccc1C[C@H]1C[N@@H+]2CCC[C@H]2CN1 ZINC000039957305 525200860 /nfs/dbraw/zinc/20/08/60/525200860.db2.gz VRIIUAGNYBJCGT-GJZGRUSLSA-N 1 0 230.355 1.974 40 0 BDABRO c1cc(CNCC[NH2+]Cc2ccncc2)ccn1 ZINC000022938667 526426567 /nfs/dbraw/zinc/42/65/67/526426567.db2.gz YZKCSOHHNKRNQL-UHFFFAOYSA-N 1 0 242.326 1.356 40 0 BDABRO C[NH2+][C@@H]1CCCN(c2ncc(C)c(Cl)n2)C1 ZINC000072203547 536365934 /nfs/dbraw/zinc/36/59/34/536365934.db2.gz HUZJRAXNHHTFKT-SECBINFHSA-N 1 0 240.738 1.627 40 0 BDABRO COc1cc(C[C@@H](C)[NH3+])cc(OC)c1OC ZINC000001850907 988667241 /nfs/dbraw/zinc/66/72/41/988667241.db2.gz WGTASENVNYJZBK-MRVPVSSYSA-N 1 0 225.288 1.602 40 0 in-man BDABRO CC(C)(C)OC(=O)N1CCCCC([NH3+])C1 ZINC001560411650 991471381 /nfs/dbraw/zinc/47/13/81/991471381.db2.gz FPJIANICSNJLCI-UHFFFAOYSA-N 1 0 213.301 1.898 40 0 BDABRO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](O)C1 ZINC000038538936 178086206 /nfs/dbraw/zinc/08/62/06/178086206.db2.gz DSAWDXREQMUHEF-LBPRGKRZSA-N 1 0 209.264 1.701 40 0 BDABRO N[C@H](c1noc(C2CC2)n1)[C@@H]1CCCO1 ZINC000070453717 259313750 /nfs/dbraw/zinc/31/37/50/259313750.db2.gz ZOQJUIAQKXXWOE-YUMQZZPRSA-N 1 0 209.249 1.126 40 0 BDABRO Fc1cccc(OC[C@@H]2C[NH2+]CCO2)c1 ZINC000070649719 259314280 /nfs/dbraw/zinc/31/42/80/259314280.db2.gz HUFBSYCCTWFASD-NSHDSACASA-N 1 0 211.236 1.193 40 0 BDABRO C[C@@H](CC(=O)N1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000072208220 259315161 /nfs/dbraw/zinc/31/51/61/259315161.db2.gz CQIWEMXKIGUBDA-RYUDHWBXSA-N 1 0 240.347 1.014 40 0 BDABRO CCOC(=O)[C@H](N)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000072210527 259316694 /nfs/dbraw/zinc/31/66/94/259316694.db2.gz GIYCRJHTIHENPE-VXGBXAGGSA-N 1 0 242.363 1.387 40 0 BDABRO Cc1ccc[n+]([C@H](CO)c2ccccc2)c1 ZINC000001666254 342707625 /nfs/dbraw/zinc/70/76/25/342707625.db2.gz WJJJGCWMPJDKJP-CQSZACIVSA-N 1 0 214.288 1.864 40 0 BDABRO O=S1(=O)C[C@@]2(N3CCCCC3)CCCC[C@@H]21 ZINC000001725413 342711425 /nfs/dbraw/zinc/71/14/25/342711425.db2.gz OOLYUTFOHFXSLT-RYUDHWBXSA-N 1 0 243.372 1.582 40 0 BDABRO CCOc1c(OC)cc(CC[NH3+])cc1OC ZINC000002007526 342714406 /nfs/dbraw/zinc/71/44/06/342714406.db2.gz RHOGRSKNWDNCDN-UHFFFAOYSA-N 1 0 225.288 1.604 40 0 in-vitro BDABRO O=C1CCC[C@H]2[C@@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@H]34 ZINC000004196456 342743592 /nfs/dbraw/zinc/74/35/92/342743592.db2.gz ZSBXGIUJOOQZMP-PWNZVWSESA-N 1 0 248.370 1.872 40 0 biogenic BDABRO COC[C@@H](OC)c1ccc([C@H](O)C[NH3+])cc1 ZINC000072220057 259318665 /nfs/dbraw/zinc/31/86/65/259318665.db2.gz URBDUTOIOCDRNK-VXGBXAGGSA-N 1 0 225.288 1.013 40 0 BDABRO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCC[NH2+]1 ZINC000072219382 259319104 /nfs/dbraw/zinc/31/91/04/259319104.db2.gz MLFDFNWRTIBYCJ-ZDUSSCGKSA-N 1 0 247.342 1.651 40 0 BDABRO COC[C@H](OC)c1ccc([C@H](O)C[NH3+])cc1 ZINC000072220056 259319110 /nfs/dbraw/zinc/31/91/10/259319110.db2.gz URBDUTOIOCDRNK-NEPJUHHUSA-N 1 0 225.288 1.013 40 0 BDABRO [NH3+]CC1(c2cc(-c3ccco3)on2)CC1 ZINC000072220677 259319498 /nfs/dbraw/zinc/31/94/98/259319498.db2.gz YUVLORJQHMVCQS-UHFFFAOYSA-N 1 0 204.229 1.925 40 0 BDABRO C[C@H](C[NH+](C)C)C(=O)c1ccc(O)cc1 ZINC000006491776 342778551 /nfs/dbraw/zinc/77/85/51/342778551.db2.gz HONHUMVGQFYMCI-SECBINFHSA-N 1 0 207.273 1.773 40 0 BDABRO Cc1c[nH+]cc(I)c1N ZINC000008698254 342802296 /nfs/dbraw/zinc/80/22/96/342802296.db2.gz DVQAPTFRMTZTJK-UHFFFAOYSA-N 1 0 234.040 1.577 40 0 BDABRO Cc1nn(-c2ccccc2)cc1CC[NH3+] ZINC000072221173 259319930 /nfs/dbraw/zinc/31/99/30/259319930.db2.gz MTFXJOPEIIUBPC-UHFFFAOYSA-N 1 0 201.273 1.682 40 0 BDABRO COC(=O)[C@H](C(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000035655761 342804594 /nfs/dbraw/zinc/80/45/94/342804594.db2.gz RJCDTPYRVVDLGC-QWRGUYRKSA-N 1 0 213.321 1.916 40 0 BDABRO C[C@@H]1CO[C@H]2C[C@@H](C(F)(F)F)C[C@@H]([NH3+])[C@@H]12 ZINC000225763398 342834548 /nfs/dbraw/zinc/83/45/48/342834548.db2.gz UFRGULWDRREEHF-QKCLAQEOSA-N 1 0 223.238 1.937 40 0 BDABRO NNc1ccc(-c2ccc(F)cc2)n[nH+]1 ZINC000011567894 342841583 /nfs/dbraw/zinc/84/15/83/342841583.db2.gz MHGGAHUZDJJPHB-UHFFFAOYSA-N 1 0 204.208 1.568 40 0 BDABRO [NH3+][C@H](CCN1CCOCC1)c1ccc(F)cc1 ZINC000012398962 342851300 /nfs/dbraw/zinc/85/13/00/342851300.db2.gz YRNKYHIXQIVKIL-CYBMUJFWSA-N 1 0 238.306 1.548 40 0 BDABRO COC[C@H]1C[N@H+](CC2CC2)Cc2cn(C)nc21 ZINC000096059821 398312308 /nfs/dbraw/zinc/31/23/08/398312308.db2.gz ZNSVCIBWJJIJLQ-GFCCVEGCSA-N 1 0 235.331 1.376 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1cccc(OC)c1 ZINC000217670054 398322690 /nfs/dbraw/zinc/32/26/90/398322690.db2.gz LNISMTZZVFQDHO-CHWSQXEVSA-N 1 0 249.310 1.513 40 0 BDABRO CC(C)(C)c1noc(C2CC[NH2+]CC2)n1 ZINC000019988188 342966073 /nfs/dbraw/zinc/96/60/73/342966073.db2.gz WFJAVLSRTDDOQH-UHFFFAOYSA-N 1 0 209.293 1.834 40 0 BDABRO Fc1ccc(CN2CC[NH2+]CC2)cc1Cl ZINC000020300197 342981090 /nfs/dbraw/zinc/98/10/90/342981090.db2.gz KRFOGHPIUODJAR-UHFFFAOYSA-N 1 0 228.698 1.884 40 0 BDABRO COC(=O)[C@H](C(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000022123332 343040397 /nfs/dbraw/zinc/04/03/97/343040397.db2.gz RJCDTPYRVVDLGC-MNOVXSKESA-N 1 0 213.321 1.916 40 0 BDABRO COC(=O)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC000039348657 343124915 /nfs/dbraw/zinc/12/49/15/343124915.db2.gz CQACFNSKPYNJEE-MNOVXSKESA-N 1 0 205.257 1.510 40 0 BDABRO CC(C)N(CC[NH3+])Cc1ccccc1F ZINC000032012410 343291339 /nfs/dbraw/zinc/29/13/39/343291339.db2.gz AIJUXRFRGUKBDB-UHFFFAOYSA-N 1 0 210.296 1.995 40 0 BDABRO [NH3+][C@H](CO)c1cc(Br)ccc1F ZINC000038124654 343316646 /nfs/dbraw/zinc/31/66/46/343316646.db2.gz OLKKWVPTLKNLTP-MRVPVSSYSA-N 1 0 234.068 1.580 40 0 BDABRO Cc1ccc(CN2CC[NH2+]C[C@@H]2C)cc1 ZINC000041213207 343416762 /nfs/dbraw/zinc/41/67/62/343416762.db2.gz BOMNRYDGBCNOIT-LBPRGKRZSA-N 1 0 204.317 1.789 40 0 BDABRO NC(=O)c1cccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311738 343668383 /nfs/dbraw/zinc/66/83/83/343668383.db2.gz GTWJGCZNNITLEN-YHWZYXNKSA-N 1 0 230.311 1.784 40 0 BDABRO CN[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000050269792 259369888 /nfs/dbraw/zinc/36/98/88/259369888.db2.gz VFTJEGSENIZJAG-VIFPVBQESA-N 1 0 218.222 1.925 40 0 BDABRO CC[C@@H]([C@H]([NH3+])c1ccc(F)cc1)S(C)(=O)=O ZINC000096524887 343759019 /nfs/dbraw/zinc/75/90/19/343759019.db2.gz VXEIIGMVROFLPI-WDEREUQCSA-N 1 0 245.319 1.649 40 0 BDABRO CCOc1ccc([C@H]2C[NH2+]C[C@H]2N)cc1 ZINC000396917051 343811058 /nfs/dbraw/zinc/81/10/58/343811058.db2.gz NYWKNSURPSLGEQ-VXGBXAGGSA-N 1 0 206.289 1.099 40 0 BDABRO C[C@H](CC[NH3+])n1nc(-c2ccco2)ccc1=O ZINC000575622336 343869325 /nfs/dbraw/zinc/86/93/25/343869325.db2.gz IWSRXHLWKASGBS-SECBINFHSA-N 1 0 233.271 1.413 40 0 BDABRO C[NH2+]CCCc1cnn(C[C@H]2CCCOC2)c1 ZINC000575623370 343875657 /nfs/dbraw/zinc/87/56/57/343875657.db2.gz NEJLHRHPMYNYHW-CYBMUJFWSA-N 1 0 237.347 1.462 40 0 BDABRO CCCN(CC)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290719 259372476 /nfs/dbraw/zinc/37/24/76/259372476.db2.gz CTKIZNYECPRDES-LLVKDONJSA-N 1 0 212.337 1.635 40 0 BDABRO C[NH+]1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000585105006 344134130 /nfs/dbraw/zinc/13/41/30/344134130.db2.gz NSEGZWRSURZZNK-LLVKDONJSA-N 1 0 236.340 1.650 40 0 BDABRO C[NH2+]C[C@H]1C[C@H]1c1ccc2c(c1)CCO2 ZINC000054588839 259374161 /nfs/dbraw/zinc/37/41/61/259374161.db2.gz NLTVUVKDKUBQBA-NEPJUHHUSA-N 1 0 203.285 1.944 40 0 BDABRO CC(C)CN1CC[C@@]2(CCC[NH2+]C2)C1=O ZINC000096157224 344368262 /nfs/dbraw/zinc/36/82/62/344368262.db2.gz IFSDFQKHYVNFHV-GFCCVEGCSA-N 1 0 210.321 1.245 40 0 BDABRO Cc1cc(C)cc(OC[C@@H]2C[NH2+]CCO2)c1 ZINC000011587395 344375104 /nfs/dbraw/zinc/37/51/04/344375104.db2.gz XGJAZIQXEVIHPS-ZDUSSCGKSA-N 1 0 221.300 1.671 40 0 BDABRO C[C@]1(COc2cccnc2)C[C@@H]2C[NH2+]CC[C@@H]2O1 ZINC000585262265 344376642 /nfs/dbraw/zinc/37/66/42/344376642.db2.gz HZXULAHHRVMYFU-KWCYVHTRSA-N 1 0 248.326 1.618 40 0 BDABRO CC[N@@H+]1CCC[C@@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217949 344513533 /nfs/dbraw/zinc/51/35/33/344513533.db2.gz QSBCNQZOGXYWCX-LLVKDONJSA-N 1 0 206.289 1.840 40 0 BDABRO O=C1C=CC[C@@H]2[C@@H]3CCC[N@@H+]4CCC[C@H](CN12)[C@@H]34 ZINC000033833761 344958471 /nfs/dbraw/zinc/95/84/71/344958471.db2.gz AAGFPTSOPGCENQ-COMQUAJESA-N 1 0 246.354 1.648 40 0 BDABRO N[C@]1(C(=O)OCc2ccccc2)CCCC[C@@H]1[NH3+] ZINC000141483927 345846343 /nfs/dbraw/zinc/84/63/43/345846343.db2.gz URLOVYFVSQBYAO-GXTWGEPZSA-N 1 0 248.326 1.329 40 0 BDABRO Cc1cccc(CN2CCC[C@]23CC[NH2+]C3)n1 ZINC000096203071 179077609 /nfs/dbraw/zinc/07/76/09/179077609.db2.gz WDRUGEPHEHOHDB-CQSZACIVSA-N 1 0 231.343 1.718 40 0 BDABRO C[NH+]1CCC(O)(C(=O)c2ccccc2)CC1 ZINC000001563465 346447809 /nfs/dbraw/zinc/44/78/09/346447809.db2.gz WTCRIRBUUAZWIF-UHFFFAOYSA-N 1 0 219.284 1.326 40 0 BDABRO CC1(C)CO[C@H](c2ccc3c(c2)OCO3)[NH2+]1 ZINC000002044030 346492794 /nfs/dbraw/zinc/49/27/94/346492794.db2.gz BOQQKDWUGNTJJY-LLVKDONJSA-N 1 0 221.256 1.812 40 0 BDABRO [NH3+][C@@H]1CCOc2c1ccc1c2OCCO1 ZINC000005945439 346632932 /nfs/dbraw/zinc/63/29/32/346632932.db2.gz PUKZKOBTRHHTQU-MRVPVSSYSA-N 1 0 207.229 1.240 40 0 BDABRO Cc1cccc2c([C@H](O)CC[NH3+])c[nH]c21 ZINC000082380342 179213200 /nfs/dbraw/zinc/21/32/00/179213200.db2.gz FRMBBKDPEDXHGD-LLVKDONJSA-N 1 0 204.273 1.859 40 0 BDABRO Cc1ccccc1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000054370356 179246758 /nfs/dbraw/zinc/24/67/58/179246758.db2.gz RPFTUXCKTYMTPO-NSHDSACASA-N 1 0 218.300 1.429 40 0 BDABRO Cc1ccccc1CN1CCC[C@H]([NH3+])C1 ZINC000038539461 179274204 /nfs/dbraw/zinc/27/42/04/179274204.db2.gz YFPWTSAIXBZFCU-ZDUSSCGKSA-N 1 0 204.317 1.918 40 0 BDABRO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082305387 179279827 /nfs/dbraw/zinc/27/98/27/179279827.db2.gz CGPZDSFUJBHKIA-CQSZACIVSA-N 1 0 246.354 1.953 40 0 BDABRO Cc1ccccc1N1CC[C@H](OCCC[NH3+])C1 ZINC000096528378 179295822 /nfs/dbraw/zinc/29/58/22/179295822.db2.gz WRROPOHCHQSNAO-ZDUSSCGKSA-N 1 0 234.343 1.939 40 0 BDABRO Cc1ccccc1NC[C@@H]1COCC[NH2+]1 ZINC000216592123 179304365 /nfs/dbraw/zinc/30/43/65/179304365.db2.gz BCZFUAUUUJEXKP-LLVKDONJSA-N 1 0 206.289 1.395 40 0 BDABRO Cc1ccccc1[C@@H](O)C1(C[NH3+])CCOCC1 ZINC000085395890 179325963 /nfs/dbraw/zinc/32/59/63/179325963.db2.gz MAAVPRROGNOKHH-CYBMUJFWSA-N 1 0 235.327 1.784 40 0 BDABRO C([C@@H]1CCCO1)N1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000218828133 187389688 /nfs/dbraw/zinc/38/96/88/187389688.db2.gz JXGJYHMXVRWTCW-YNEHKIRRSA-N 1 0 224.348 1.382 40 0 BDABRO CC(C)(C)OC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000038363852 187392958 /nfs/dbraw/zinc/39/29/58/187392958.db2.gz PZCDWEOQKBSMMC-MRVPVSSYSA-N 1 0 216.325 1.885 40 0 BDABRO Cc1nc(N(C)C)cc([C@@]2(C)CCC[NH2+]C2)n1 ZINC000205705761 348578973 /nfs/dbraw/zinc/57/89/73/348578973.db2.gz ZEUCCMWPHFWZII-ZDUSSCGKSA-N 1 0 234.347 1.492 40 0 BDABRO CC(C)N(Cc1cncs1)C(=O)[C@H](C)[NH3+] ZINC000079422165 187427702 /nfs/dbraw/zinc/42/77/02/187427702.db2.gz LKWOKFLGPWFAEA-QMMMGPOBSA-N 1 0 227.333 1.227 40 0 BDABRO C[C@]1(O)CC[NH2+]C[C@@H]1N1CCc2ccccc2C1 ZINC000306046591 538042011 /nfs/dbraw/zinc/04/20/11/538042011.db2.gz TVUPGFUXRDARBK-GJZGRUSLSA-N 1 0 246.354 1.158 40 0 BDABRO c1coc(COCc2ncn3c2C[NH2+]CCC3)c1 ZINC000306124821 538043241 /nfs/dbraw/zinc/04/32/41/538043241.db2.gz CALHMRRQRYWLPK-UHFFFAOYSA-N 1 0 247.298 1.686 40 0 BDABRO O=C1CCC(=O)N1[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005456208 350087188 /nfs/dbraw/zinc/08/71/88/350087188.db2.gz UJZWYHABZLDLFD-GHMZBOCLSA-N 1 0 236.315 1.152 40 0 BDABRO Cc1nc2c(c[n+]1C)CN1C=CSC1=N2 ZINC000015781117 180071089 /nfs/dbraw/zinc/07/10/89/180071089.db2.gz RVAICAOQGBKVDZ-UHFFFAOYSA-N 1 0 219.293 1.236 40 0 BDABRO Cc1nccc([C@@]2(C)CCC[N@@H+](C)C2)n1 ZINC000072381264 180209014 /nfs/dbraw/zinc/20/90/14/180209014.db2.gz CDKGVDYQBFPASO-LBPRGKRZSA-N 1 0 205.305 1.768 40 0 BDABRO Cc1nccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000072397558 180185638 /nfs/dbraw/zinc/18/56/38/180185638.db2.gz JHQBJEAFCMCDCR-RISCZKNCSA-N 1 0 246.358 1.454 40 0 BDABRO Cc1nn(-c2ccccc2)[n+](-c2ccccc2)n1 ZINC000006523597 180329317 /nfs/dbraw/zinc/32/93/17/180329317.db2.gz LECOSURBOJOYGR-UHFFFAOYSA-N 1 0 237.286 1.852 40 0 BDABRO Cc1nn(C)cc1-c1nc(C[NH3+])cs1 ZINC000084387425 180366118 /nfs/dbraw/zinc/36/61/18/180366118.db2.gz KGDQEJPVOMDTIB-UHFFFAOYSA-N 1 0 208.290 1.311 40 0 BDABRO Clc1nccnc1OCC1CC[NH2+]CC1 ZINC000096529988 180603758 /nfs/dbraw/zinc/60/37/58/180603758.db2.gz QZOOAAPPSXBBNK-UHFFFAOYSA-N 1 0 227.695 1.508 40 0 BDABRO c1coc(-c2noc(C3CC[NH2+]CC3)n2)c1 ZINC000020268742 363183594 /nfs/dbraw/zinc/18/35/94/363183594.db2.gz UMCMWPYWQGXECX-UHFFFAOYSA-N 1 0 219.244 1.797 40 0 BDABRO CC12C[C@H]3C[C@@H](C1)CC([NH2+]CCO)(C3)C2 ZINC000001733106 188100273 /nfs/dbraw/zinc/10/02/73/188100273.db2.gz VBQZFPPQBLEIHD-MPEURRAXSA-N 1 0 209.333 1.927 40 0 BDABRO CC(=O)NC1C[C@H]2CCC[NH+]3CCC[C@H](C1)C23 ZINC000001697876 188100463 /nfs/dbraw/zinc/10/04/63/188100463.db2.gz DHIVDSFQGJRQIR-IWMBGFJWSA-N 1 0 236.359 1.776 40 0 BDABRO COc1ccc([C@]2(C)C[NH2+]CCO2)cc1OC ZINC000011803688 188105325 /nfs/dbraw/zinc/10/53/25/188105325.db2.gz GMEUBMIBGGPSAL-ZDUSSCGKSA-N 1 0 237.299 1.539 40 0 BDABRO Cc1ccc2c(c1)C[NH2+][C@@H](CN(C)C)CO2 ZINC000019219564 188106792 /nfs/dbraw/zinc/10/67/92/188106792.db2.gz HRFOGLRNCLGEPG-LBPRGKRZSA-N 1 0 220.316 1.407 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)c1cccs1 ZINC000079436328 188118149 /nfs/dbraw/zinc/11/81/49/188118149.db2.gz DUOVWXQJHILVCN-JTQLQIEISA-N 1 0 240.328 1.030 40 0 BDABRO CC(C)N(CC[NH3+])[C@@H](C)c1nccs1 ZINC000079436103 188118162 /nfs/dbraw/zinc/11/81/62/188118162.db2.gz MFBJYQZZQBFVJU-VIFPVBQESA-N 1 0 213.350 1.873 40 0 BDABRO COc1ccccc1NC(=O)C1CC[NH+](C)CC1 ZINC000060569415 188128516 /nfs/dbraw/zinc/12/85/16/188128516.db2.gz VSBWCFJMYXODDP-UHFFFAOYSA-N 1 0 248.326 1.976 40 0 BDABRO CC(C)[N@@H+]1CCC[C@@H](c2cccc(C(N)=O)n2)C1 ZINC000072356940 188131792 /nfs/dbraw/zinc/13/17/92/188131792.db2.gz KKHVEJRECIKNHZ-LLVKDONJSA-N 1 0 247.342 1.768 40 0 BDABRO COc1cccc(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000074713361 188132148 /nfs/dbraw/zinc/13/21/48/188132148.db2.gz XSRVYRMZICTQPR-UHFFFAOYSA-N 1 0 248.326 1.976 40 0 BDABRO [NH3+]Cc1cccn(Cc2ccccc2)c1=O ZINC000076730693 188135731 /nfs/dbraw/zinc/13/57/31/188135731.db2.gz MXZLCDOTWPBHCM-UHFFFAOYSA-N 1 0 214.268 1.355 40 0 BDABRO C[n+]1cccc(-c2nc3cc(N)ccc3o2)c1 ZINC000226778101 188155141 /nfs/dbraw/zinc/15/51/41/188155141.db2.gz DOTJMUXQYJURFW-UHFFFAOYSA-N 1 0 226.259 1.902 40 0 BDABRO CC[n+]1cccc(-c2nn3c(C)nnc3s2)c1 ZINC000226774190 188155580 /nfs/dbraw/zinc/15/55/80/188155580.db2.gz XDIXUUDTJSTCED-UHFFFAOYSA-N 1 0 246.319 1.469 40 0 BDABRO C[n+]1ccccc1[C@H](O)Cc1ccncc1 ZINC000004934565 188157291 /nfs/dbraw/zinc/15/72/91/188157291.db2.gz DNNWJRSKKYUWBA-CYBMUJFWSA-N 1 0 215.276 1.182 40 0 BDABRO O=c1[nH]c(-c2ccc(F)cc2)nc2c1C[NH2+]C2 ZINC000096516477 188147794 /nfs/dbraw/zinc/14/77/94/188147794.db2.gz HFHLEVDLVUXWNZ-UHFFFAOYSA-N 1 0 231.230 1.179 40 0 BDABRO C1=CC2(CC[NH2+]CC2)CC[C@H]1N1CCOCC1 ZINC000096240267 188148366 /nfs/dbraw/zinc/14/83/66/188148366.db2.gz IFUDTPWKCXRDOX-ZDUSSCGKSA-N 1 0 236.359 1.407 40 0 BDABRO [NH3+]Cc1cccnc1I ZINC000098095800 188149081 /nfs/dbraw/zinc/14/90/81/188149081.db2.gz YRZGJRNDYLADEU-UHFFFAOYSA-N 1 0 234.040 1.145 40 0 BDABRO CC(C)Cn1nccc1C[NH2+]CCCCO ZINC000256049484 188193543 /nfs/dbraw/zinc/19/35/43/188193543.db2.gz ADKFIJGXJPLVIV-UHFFFAOYSA-N 1 0 225.336 1.401 40 0 BDABRO CCCC[C@@H]1C[C@H](O)C[N@@H+]1CCOC ZINC000217881772 188179265 /nfs/dbraw/zinc/17/92/65/188179265.db2.gz BXTVTPFYUDYCPX-MNOVXSKESA-N 1 0 201.310 1.258 40 0 BDABRO Cc1ccc(CSC[C@@H]([NH3+])CO)cc1 ZINC000199452194 324185981 /nfs/dbraw/zinc/18/59/81/324185981.db2.gz YORIOJRHRGVUSU-NSHDSACASA-N 1 0 211.330 1.548 40 0 BDABRO Fc1cccc(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)c1 ZINC000107915981 181003174 /nfs/dbraw/zinc/00/31/74/181003174.db2.gz NOXHOBVVJWJJLT-WCQYABFASA-N 1 0 236.290 1.251 40 0 BDABRO Fc1cccc(O[C@H]2C[C@H]3C[NH2+]CCN3C2)c1 ZINC000107915985 181003190 /nfs/dbraw/zinc/00/31/90/181003190.db2.gz NOXHOBVVJWJJLT-AAEUAGOBSA-N 1 0 236.290 1.251 40 0 BDABRO Fc1ccccc1CNC[C@H]1CCC[NH2+]1 ZINC000072202924 181012901 /nfs/dbraw/zinc/01/29/01/181012901.db2.gz IWKGDCGWFPAIGQ-LLVKDONJSA-N 1 0 208.280 1.667 40 0 BDABRO CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)C[NH2+]1 ZINC000238172576 259454538 /nfs/dbraw/zinc/45/45/38/259454538.db2.gz BLEBGRGBFNZIIP-JGVFFNPUSA-N 1 0 218.272 1.211 40 0 BDABRO Cc1ccc(C[C@H]2CC[NH2+]C[C@H]2O)cc1 ZINC000076639851 363387145 /nfs/dbraw/zinc/38/71/45/363387145.db2.gz CVRLYGPSRCPHBL-CHWSQXEVSA-N 1 0 205.301 1.508 40 0 BDABRO CC[C@@H](C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000019434716 355208495 /nfs/dbraw/zinc/20/84/95/355208495.db2.gz YIKLYLZBWHRKCS-PWSUYJOCSA-N 1 0 220.316 1.991 40 0 BDABRO [NH2+]=C(NCc1ccccc1)N1CCOCC1 ZINC000039119338 181198804 /nfs/dbraw/zinc/19/88/04/181198804.db2.gz GKBSQLLREMPLCP-UHFFFAOYSA-N 1 0 219.288 1.043 40 0 BDABRO NC(=O)C1([NH2+]Cc2ccccc2)CCC1 ZINC000037941354 181214823 /nfs/dbraw/zinc/21/48/23/181214823.db2.gz VRXYHEGVVFWSJI-UHFFFAOYSA-N 1 0 204.273 1.184 40 0 BDABRO NC(=O)C1C=C[NH+](Cc2ccccc2)C=C1 ZINC000001607603 181216685 /nfs/dbraw/zinc/21/66/85/181216685.db2.gz PJTLVPOFZBUOEX-UHFFFAOYSA-N 1 0 214.268 1.631 40 0 BDABRO NC(=O)N1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000096268923 181250329 /nfs/dbraw/zinc/25/03/29/181250329.db2.gz JZZSJPNJRVCEEV-UHFFFAOYSA-N 1 0 245.326 1.202 40 0 BDABRO NC(=O)[C@@H](c1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000038976990 181266748 /nfs/dbraw/zinc/26/67/48/181266748.db2.gz YLGCEJFUJPOUQW-NEPJUHHUSA-N 1 0 236.290 1.537 40 0 BDABRO NC(=O)[C@@]1(CCCc2cccnc2)CCCC[NH2+]1 ZINC000072344203 181275286 /nfs/dbraw/zinc/27/52/86/181275286.db2.gz JNUFSUDZSKFSOX-AWEZNQCLSA-N 1 0 247.342 1.402 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccccc1C ZINC000067173355 359025305 /nfs/dbraw/zinc/02/53/05/359025305.db2.gz DXKKIJWBEMULEW-RYUDHWBXSA-N 1 0 219.284 1.471 40 0 BDABRO CC[C@H]1[NH2+]CCc2cc(OC)c(O)cc21 ZINC000004273390 360464470 /nfs/dbraw/zinc/46/44/70/360464470.db2.gz NVVVVRNMEOHFAM-SNVBAGLBSA-N 1 0 207.273 1.998 40 0 BDABRO [NH3+]C1(CC2CCC2)CCS(=O)(=O)CC1 ZINC000255187971 181330478 /nfs/dbraw/zinc/33/04/78/181330478.db2.gz HZUWGVAPTWEMJW-UHFFFAOYSA-N 1 0 217.334 1.083 40 0 BDABRO [NH3+]C1(c2ccnc(Br)c2)CC1 ZINC000083298049 181335071 /nfs/dbraw/zinc/33/50/71/181335071.db2.gz OJKMQADEBBGZGG-UHFFFAOYSA-N 1 0 213.078 1.792 40 0 BDABRO [NH3+]CC(=O)N(Cc1ccsc1)C1CC1 ZINC000040492069 181347326 /nfs/dbraw/zinc/34/73/26/181347326.db2.gz UIPYURFZSAOJFC-UHFFFAOYSA-N 1 0 210.302 1.198 40 0 BDABRO CC(C)(C)OC(=O)[C@H](N)CCCCCCC[NH3+] ZINC000115820639 370697112 /nfs/dbraw/zinc/69/71/12/370697112.db2.gz CZUHROWWGMKXBH-LLVKDONJSA-N 1 0 244.379 1.955 40 0 BDABRO NCC[NH2+]CCCC(=O)c1ccccc1 ZINC000019850361 181397594 /nfs/dbraw/zinc/39/75/94/181397594.db2.gz YPVRJHARGFOWMD-UHFFFAOYSA-N 1 0 206.289 1.198 40 0 BDABRO [NH3+]CCNc1ccnc2ccc(F)cc21 ZINC000107196295 181398720 /nfs/dbraw/zinc/39/87/20/181398720.db2.gz INGSIQPTEIFOSY-UHFFFAOYSA-N 1 0 205.236 1.745 40 0 BDABRO [NH3+]CCOCc1cccc(OC(F)F)c1 ZINC000089262726 181399678 /nfs/dbraw/zinc/39/96/78/181399678.db2.gz KWRXGYBIQXGIBP-UHFFFAOYSA-N 1 0 217.215 1.763 40 0 BDABRO [NH3+][C@@H]1CC2(CCC2)S(=O)(=O)c2ccccc21 ZINC000114233072 368342254 /nfs/dbraw/zinc/34/22/54/368342254.db2.gz NCIUAXAINSTJNR-SNVBAGLBSA-N 1 0 237.324 1.787 40 0 BDABRO CC(=O)N1CCCC[C@@H]2[NH2+]CCC[C@@]21C ZINC000205684757 368356246 /nfs/dbraw/zinc/35/62/46/368356246.db2.gz VQMSBKSWLDEOSE-RYUDHWBXSA-N 1 0 210.321 1.530 40 0 BDABRO Cc1nc(C2(C)CC[NH+](C(C)C)CC2)cc(=O)[nH]1 ZINC000205677697 368357296 /nfs/dbraw/zinc/35/72/96/368357296.db2.gz VHAJPPNCJWWYJV-UHFFFAOYSA-N 1 0 249.358 1.840 40 0 BDABRO Cc1cc(-c2cccc(C[C@H]3CC[NH2+]C3)n2)n[nH]1 ZINC000205686046 368358878 /nfs/dbraw/zinc/35/88/78/368358878.db2.gz NALBUYWRESMEFD-LLVKDONJSA-N 1 0 242.326 1.932 40 0 BDABRO CCN(C(C)=O)[C@H]1C[NH2+]C2(C1)CCCCC2 ZINC000205703160 368360024 /nfs/dbraw/zinc/36/00/24/368360024.db2.gz KYCKSLKPRHTXRH-GFCCVEGCSA-N 1 0 224.348 1.920 40 0 BDABRO Cc1ccc2c(c1)NC(=O)C21CC[NH2+]CC1 ZINC000213563769 368361380 /nfs/dbraw/zinc/36/13/80/368361380.db2.gz ARNQGNAHGXJEAS-UHFFFAOYSA-N 1 0 216.284 1.568 40 0 BDABRO [NH3+]C[C@H]1OC(=O)C(Oc2ccccc2)=C1Cl ZINC000035181685 181468303 /nfs/dbraw/zinc/46/83/03/181468303.db2.gz DDATWHOFTFMXER-MRVPVSSYSA-N 1 0 239.658 1.400 40 0 BDABRO [NH3+]Cc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000022145862 181485896 /nfs/dbraw/zinc/48/58/96/181485896.db2.gz QEOSTGWHXDDMDN-UHFFFAOYSA-N 1 0 234.299 1.147 40 0 BDABRO Cc1cc(-c2nccnc2[C@@H]2CCC[NH2+]C2)n[nH]1 ZINC000205686624 369996588 /nfs/dbraw/zinc/99/65/88/369996588.db2.gz IVVKYOURHXHQFR-SNVBAGLBSA-N 1 0 243.314 1.642 40 0 BDABRO C[C@H]([NH3+])c1nc2ccccc2n1CCO ZINC000019734317 371186429 /nfs/dbraw/zinc/18/64/29/371186429.db2.gz ILORXCMLTCNLQF-QMMMGPOBSA-N 1 0 205.261 1.048 40 0 BDABRO [NH3+][C@@H]1CCCN(c2ncnc3c2CCCC3)C1 ZINC000094872439 371237358 /nfs/dbraw/zinc/23/73/58/371237358.db2.gz OHOJUODTRTYTES-SNVBAGLBSA-N 1 0 232.331 1.283 40 0 BDABRO Cc1cncc([C@@H](C)O[C@@H]2CC[NH2+]C2)c1 ZINC000252487781 259546921 /nfs/dbraw/zinc/54/69/21/259546921.db2.gz IBNMJHOPSUSNPQ-ZYHUDNBSSA-N 1 0 206.289 1.830 40 0 BDABRO [NH3+][C@@]12C[C@H]3C[C@@H](C1)C[C@](n1cncn1)(C3)C2 ZINC000217367866 181604822 /nfs/dbraw/zinc/60/48/22/181604822.db2.gz MEBRHDOGOQBNLX-IWDIQUIJSA-N 1 0 218.304 1.285 40 0 BDABRO O=C(C[C@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000020597502 182026817 /nfs/dbraw/zinc/02/68/17/182026817.db2.gz GSOGXYPXTCZJKD-LLVKDONJSA-N 1 0 210.321 1.531 40 0 BDABRO O=C(NC1CC1)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC000096047404 182095854 /nfs/dbraw/zinc/09/58/54/182095854.db2.gz FXGCGYXVQJQRSA-ZDUSSCGKSA-N 1 0 237.347 1.467 40 0 BDABRO O=C(NC1CC[NH2+]CC1)c1ccccc1Cl ZINC000020271988 182116503 /nfs/dbraw/zinc/11/65/03/182116503.db2.gz SUEMDZHVXHHAMM-UHFFFAOYSA-N 1 0 238.718 1.822 40 0 BDABRO O=C1Nc2ccccc2CN1C1C[NH2+]C1 ZINC000083351157 182824097 /nfs/dbraw/zinc/82/40/97/182824097.db2.gz OYZRDGBOCXDONT-UHFFFAOYSA-N 1 0 203.245 1.006 40 0 BDABRO O=[S@@](c1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000034103767 182964835 /nfs/dbraw/zinc/96/48/35/182964835.db2.gz QJYGKJCHJWBTDX-IINYFYTJSA-N 1 0 229.732 1.810 40 0 BDABRO OC1(c2ccccc2Cl)CC[NH2+]CC1 ZINC000033605988 183022799 /nfs/dbraw/zinc/02/27/99/183022799.db2.gz AYSRDSVZHJXCLD-UHFFFAOYSA-N 1 0 211.692 1.911 40 0 BDABRO OCC[N@H+](Cc1ccc(Cl)nc1)C1CC1 ZINC000042479088 183068752 /nfs/dbraw/zinc/06/87/52/183068752.db2.gz DSLAQWWGELYWSH-UHFFFAOYSA-N 1 0 226.707 1.692 40 0 BDABRO O[C@@]12CCCC[C@H]1C[n+]1ccccc1C2 ZINC000001704544 183218195 /nfs/dbraw/zinc/21/81/95/183218195.db2.gz IXSIAVPKHQVMHL-WCQYABFASA-N 1 0 204.293 1.452 40 0 BDABRO Oc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000038539635 183287459 /nfs/dbraw/zinc/28/74/59/183287459.db2.gz BHXFSLIKOQTDRU-UHFFFAOYSA-N 1 0 207.273 1.349 40 0 BDABRO c1c(CN2CCC[NH2+]CC2)[nH]nc1C1CC1 ZINC000096523659 183321287 /nfs/dbraw/zinc/32/12/87/183321287.db2.gz PHNBRDNDSBYBQQ-UHFFFAOYSA-N 1 0 220.320 1.082 40 0 BDABRO c1cc(-c2nc([C@H]3CC[NH2+]C3)no2)cs1 ZINC000328579560 183331082 /nfs/dbraw/zinc/33/10/82/183331082.db2.gz OWOWJBALPWUSNO-ZETCQYMHSA-N 1 0 221.285 1.875 40 0 BDABRO c1cc(-c2nc([C@@H]3CC[NH2+]C3)no2)co1 ZINC000328579478 183331172 /nfs/dbraw/zinc/33/11/72/183331172.db2.gz KMUVIVURBQIURR-SSDOTTSWSA-N 1 0 205.217 1.407 40 0 BDABRO c1cc([C@@H]2CCC[N@H+](C3CCOCC3)C2)n[nH]1 ZINC000072381922 183359756 /nfs/dbraw/zinc/35/97/56/183359756.db2.gz WYZYXDBMWZCZAM-LLVKDONJSA-N 1 0 235.331 1.768 40 0 BDABRO c1cc(CO[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)ccn1 ZINC000306128150 183354808 /nfs/dbraw/zinc/35/48/08/183354808.db2.gz GRYSRZGFDQGMMA-YNEHKIRRSA-N 1 0 234.299 1.118 40 0 BDABRO c1cc(C2CC[NH+](C3CCOCC3)CC2)ncn1 ZINC000072348526 183335531 /nfs/dbraw/zinc/33/55/31/183335531.db2.gz HGSYQHRXGQFMQK-UHFFFAOYSA-N 1 0 247.342 1.835 40 0 BDABRO c1cc2c(cc1[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000057500379 183370527 /nfs/dbraw/zinc/37/05/27/183370527.db2.gz HTYFDMZIIBITQA-LLVKDONJSA-N 1 0 219.284 1.925 40 0 BDABRO c1nc([C@@H]2CCC[NH2+]C2)n(-c2ccccc2)n1 ZINC000096524344 183388143 /nfs/dbraw/zinc/38/81/43/183388143.db2.gz BUHNFILNXRKAJJ-LLVKDONJSA-N 1 0 228.299 1.734 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H](COCC[NH3+])C1 ZINC000079390621 166652656 /nfs/dbraw/zinc/65/26/56/166652656.db2.gz ULPNOFXHGUXZLK-SNVBAGLBSA-N 1 0 244.335 1.219 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+][C@@]2(C)C1 ZINC000238210028 166657335 /nfs/dbraw/zinc/65/73/35/166657335.db2.gz ODUCJWIZYUPUQF-KCJUWKMLSA-N 1 0 212.293 1.215 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2C[C@H]([NH3+])[C@@H]1C2 ZINC000020286012 166657513 /nfs/dbraw/zinc/65/75/13/166657513.db2.gz WDLJVXLPYIOWOZ-CIUDSAMLSA-N 1 0 212.293 1.343 40 0 BDABRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH3+] ZINC000035206868 383868254 /nfs/dbraw/zinc/86/82/54/383868254.db2.gz SPSYOXRVYWAZIB-JTQLQIEISA-N 1 0 206.289 1.301 40 0 BDABRO C[C@@H]1C[C@H]([NH3+])c2ccccc2S1(=O)=O ZINC000035752094 383874734 /nfs/dbraw/zinc/87/47/34/383874734.db2.gz ZGKBUKWATUFQGG-APPZFPTMSA-N 1 0 211.286 1.252 40 0 BDABRO C[C@@H]1N[C@@]1(c1ccccc1)[n+]1ccccc1 ZINC000001728228 383931862 /nfs/dbraw/zinc/93/18/62/383931862.db2.gz USCBUFBCRYMHLK-GXTWGEPZSA-N 1 0 211.288 1.667 40 0 BDABRO CN(Cc1cccc(Cl)c1)C(=O)C[NH3+] ZINC000037498065 383883903 /nfs/dbraw/zinc/88/39/03/383883903.db2.gz QXVSEXMQMHLGFE-UHFFFAOYSA-N 1 0 212.680 1.257 40 0 BDABRO Cc1cccc(CN(C)C(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000037807860 383886602 /nfs/dbraw/zinc/88/66/02/383886602.db2.gz VKPFZESDIHDHOY-ZDUSSCGKSA-N 1 0 234.343 1.937 40 0 BDABRO C[C@H]([NH2+]CCc1ccccc1)[C@H]1CCOC1=O ZINC000001742499 383933421 /nfs/dbraw/zinc/93/34/21/383933421.db2.gz YFNUTVUFJSHKBJ-WCQYABFASA-N 1 0 233.311 1.770 40 0 BDABRO Cc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000036236607 383889933 /nfs/dbraw/zinc/88/99/33/383889933.db2.gz BTRIWUIHECAATG-QWHCGFSZSA-N 1 0 230.311 1.429 40 0 BDABRO CCCC(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642183 384027347 /nfs/dbraw/zinc/02/73/47/384027347.db2.gz CRQGPKBWZZTIHL-UHFFFAOYSA-N 1 0 231.299 1.834 40 0 BDABRO [NH3+]Cc1nnc2n1CCC[C@@H]2C(F)(F)F ZINC000090225656 384037169 /nfs/dbraw/zinc/03/71/69/384037169.db2.gz CHNSMJPAYBYFIK-YFKPBYRVSA-N 1 0 220.198 1.177 40 0 BDABRO NNc1cc(-c2nc(C3CC3)no2)cc[nH+]1 ZINC000070451558 384107757 /nfs/dbraw/zinc/10/77/57/384107757.db2.gz BTPUKUHUPDKDFK-UHFFFAOYSA-N 1 0 217.232 1.295 40 0 BDABRO CC[N@H+](CCO)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393504 384132368 /nfs/dbraw/zinc/13/23/68/384132368.db2.gz NREMRULTNGFOCR-HNNXBMFYSA-N 1 0 248.370 1.575 40 0 BDABRO C[C@H](c1nccs1)N(C)C(=O)[C@H](C)[NH3+] ZINC000079436379 384146742 /nfs/dbraw/zinc/14/67/42/384146742.db2.gz YWMBHAQABXHFTI-NKWVEPMBSA-N 1 0 213.306 1.010 40 0 BDABRO CC[C@H](CO)[NH2+]Cc1cccc(OC)c1 ZINC000008337106 384199578 /nfs/dbraw/zinc/19/95/78/384199578.db2.gz NSPUCBFOLNRDTC-LLVKDONJSA-N 1 0 209.289 1.556 40 0 BDABRO Nc1cc(-c2c[nH]nc2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000072357467 384215138 /nfs/dbraw/zinc/21/51/38/384215138.db2.gz TUKIJXZFYKWPCV-NSHDSACASA-N 1 0 243.314 1.869 40 0 BDABRO FC(F)(F)Cc1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000042413010 384216002 /nfs/dbraw/zinc/21/60/02/384216002.db2.gz VQBOCTFGLCRFOX-ZCFIWIBFSA-N 1 0 235.209 1.641 40 0 BDABRO Cc1c[nH]nc1[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000072381935 384216131 /nfs/dbraw/zinc/21/61/31/384216131.db2.gz IOFDCWMWQATEOA-NSHDSACASA-N 1 0 235.331 1.686 40 0 BDABRO Cc1nc(C2C[NH+](C(C)C)C2)cc(=O)[nH]1 ZINC000072381396 384216981 /nfs/dbraw/zinc/21/69/81/384216981.db2.gz KEXKCVKACRULFX-UHFFFAOYSA-N 1 0 207.277 1.298 40 0 BDABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2ccncc2)C1 ZINC000072382046 384220616 /nfs/dbraw/zinc/22/06/16/384220616.db2.gz NTPSEWMCIFGLGN-CYBMUJFWSA-N 1 0 247.342 1.349 40 0 BDABRO CC[NH+]1CCN(c2ccc([C@@H](C)O)cn2)CC1 ZINC000072225545 384247279 /nfs/dbraw/zinc/24/72/79/384247279.db2.gz GJGSFCWFDZUHSY-LLVKDONJSA-N 1 0 235.331 1.277 40 0 BDABRO c1nnc(C2CC[NH2+]CC2)n1Cc1ccccc1 ZINC000082550452 384314935 /nfs/dbraw/zinc/31/49/35/384314935.db2.gz ZICWVONPOSWXAM-UHFFFAOYSA-N 1 0 242.326 1.793 40 0 BDABRO CC(C)(C)CC(=O)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000077452654 384288929 /nfs/dbraw/zinc/28/89/29/384288929.db2.gz KFYDBSVWVIFBOH-ZJUUUORDSA-N 1 0 210.321 1.243 40 0 BDABRO C[C@@H]([NH3+])c1nnc(-c2ccc(F)cc2)[nH]1 ZINC000061843931 384382877 /nfs/dbraw/zinc/38/28/77/384382877.db2.gz GLNJNMUGKZGLQA-ZCFIWIBFSA-N 1 0 206.224 1.631 40 0 BDABRO Cn1ccc(CN2CCCC23CC[NH2+]CC3)n1 ZINC000106820772 384388581 /nfs/dbraw/zinc/38/85/81/384388581.db2.gz MDVOVLVGQZCWCT-UHFFFAOYSA-N 1 0 234.347 1.138 40 0 BDABRO CC(C)n1nc(Cn2cccn2)c2c1C[NH2+]C2 ZINC000096259184 384445835 /nfs/dbraw/zinc/44/58/35/384445835.db2.gz LWSGKAPRKQAAAT-UHFFFAOYSA-N 1 0 231.303 1.312 40 0 BDABRO CCOP(=O)(CC[NH+](C)C)OCC ZINC000001723483 384448757 /nfs/dbraw/zinc/44/87/57/384448757.db2.gz LATBXDTUXXUDPI-UHFFFAOYSA-N 1 0 209.226 1.814 40 0 BDABRO Cn1cc2c(n1)[C@H](C[NH2+]Cc1ccco1)OCC2 ZINC000096059670 384431919 /nfs/dbraw/zinc/43/19/19/384431919.db2.gz CWAIKJRQGZGHMI-LBPRGKRZSA-N 1 0 247.298 1.417 40 0 BDABRO CC[N@@H+]1CCCC12CCN(c1cnccn1)CC2 ZINC000096075208 384432450 /nfs/dbraw/zinc/43/24/50/384432450.db2.gz ANOZGAFTCVSGEI-UHFFFAOYSA-N 1 0 246.358 1.931 40 0 BDABRO C[C@H]1c2ncc(COCC3CC3)n2CC[N@H+]1C ZINC000096109757 384433951 /nfs/dbraw/zinc/43/39/51/384433951.db2.gz ZGMUUIOYDUNMDN-JTQLQIEISA-N 1 0 235.331 1.816 40 0 BDABRO CC(C)N(C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096157306 384440411 /nfs/dbraw/zinc/44/04/11/384440411.db2.gz VKNABONQPBTSBG-NSHDSACASA-N 1 0 240.347 1.154 40 0 BDABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccc2)N1 ZINC000096186176 384440563 /nfs/dbraw/zinc/44/05/63/384440563.db2.gz GRBCQNKWILOOTC-STQMWFEESA-N 1 0 230.311 1.540 40 0 BDABRO CCCCCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000096629257 384466650 /nfs/dbraw/zinc/46/66/50/384466650.db2.gz KXAYEDOMGKAMED-NSHDSACASA-N 1 0 212.337 1.635 40 0 BDABRO CC(C)[C@@H]([NH3+])C(=O)OC(Cl)(Cl)Cl ZINC000019075634 384510330 /nfs/dbraw/zinc/51/03/30/384510330.db2.gz IHNTXENJFLUMHG-SCSAIBSYSA-N 1 0 234.510 1.841 40 0 BDABRO c1cc2n(c1)-c1ncccc1NC21CC[NH2+]CC1 ZINC000013568809 384487068 /nfs/dbraw/zinc/48/70/68/384487068.db2.gz HHLHYTGQWAQEOD-UHFFFAOYSA-N 1 0 240.310 1.877 40 0 BDABRO NN[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000199534307 384518677 /nfs/dbraw/zinc/51/86/77/384518677.db2.gz JPSGOGWISMADIT-LBPRGKRZSA-N 1 0 223.295 1.330 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+][C@]2(C)C1 ZINC000238183284 384531171 /nfs/dbraw/zinc/53/11/71/384531171.db2.gz ODUCJWIZYUPUQF-GZMMTYOYSA-N 1 0 212.293 1.215 40 0 BDABRO CNc1cc(C)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019686528 384531737 /nfs/dbraw/zinc/53/17/37/384531737.db2.gz JZRRNGPFRMOCKC-SECBINFHSA-N 1 0 206.293 1.294 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+][C@@]2(C)C1 ZINC000238183250 384532294 /nfs/dbraw/zinc/53/22/94/384532294.db2.gz ODUCJWIZYUPUQF-KWQFWETISA-N 1 0 212.293 1.215 40 0 BDABRO [NH3+]C[C@H](O)c1c[nH]c2cc(Cl)ccc21 ZINC000070453451 384563503 /nfs/dbraw/zinc/56/35/03/384563503.db2.gz NMAZUWJVNUEDAP-JTQLQIEISA-N 1 0 210.664 1.813 40 0 BDABRO [NH3+]Cc1ccc([C@H]2CCNC(=O)C2)c(Cl)c1 ZINC000199775363 384539523 /nfs/dbraw/zinc/53/95/23/384539523.db2.gz UUQJUMLMKJUEGD-VIFPVBQESA-N 1 0 238.718 1.792 40 0 BDABRO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccccc1 ZINC000100402834 384573517 /nfs/dbraw/zinc/57/35/17/384573517.db2.gz IZTSYUBBKNSBJC-OLZOCXBDSA-N 1 0 230.311 1.540 40 0 BDABRO [NH3+][C@H]1CC[C@H](Nc2ncc(F)cn2)CC1 ZINC000100174046 384621095 /nfs/dbraw/zinc/62/10/95/384621095.db2.gz DWNUAKHSEZZGED-DTORHVGOSA-N 1 0 210.256 1.298 40 0 BDABRO CC[C@H]([NH3+])Cn1ncc2ccccc2c1=O ZINC000050180252 384601509 /nfs/dbraw/zinc/60/15/09/384601509.db2.gz MKVNPOCHFGNFIM-JTQLQIEISA-N 1 0 217.272 1.134 40 0 BDABRO CCOC[C@@H]1C[NH2+]Cc2nn(CC)cc21 ZINC000306131993 384664435 /nfs/dbraw/zinc/66/44/35/384664435.db2.gz KVERIUZAUPZGLY-VIFPVBQESA-N 1 0 209.293 1.126 40 0 BDABRO c1ccc2c(c1)ncnc2O[C@@H]1CCC[NH2+]C1 ZINC000051872988 384697204 /nfs/dbraw/zinc/69/72/04/384697204.db2.gz JEIMDIJUXZVAGA-SNVBAGLBSA-N 1 0 229.283 1.761 40 0 BDABRO Nc1ccc(-c2nc(C[NH3+])cs2)cc1 ZINC000082639860 384698649 /nfs/dbraw/zinc/69/86/49/384698649.db2.gz YZBUKOPJZNJTEC-UHFFFAOYSA-N 1 0 205.286 1.851 40 0 BDABRO Cc1ccc(C2(O)CC[NH+](C)CC2)s1 ZINC000084006867 384828626 /nfs/dbraw/zinc/82/86/26/384828626.db2.gz PFGBDWUARFLSEQ-UHFFFAOYSA-N 1 0 211.330 1.970 40 0 BDABRO [NH3+]Cc1csc(-c2cnn(CC3CC3)c2)n1 ZINC000095093942 384907210 /nfs/dbraw/zinc/90/72/10/384907210.db2.gz CRCPAPLOXWNMIW-UHFFFAOYSA-N 1 0 234.328 1.875 40 0 BDABRO CCOc1c(C)cccc1C[NH2+]C[C@@H](C)O ZINC000095094843 384965168 /nfs/dbraw/zinc/96/51/68/384965168.db2.gz KCDOGHSXBWHCTO-LLVKDONJSA-N 1 0 223.316 1.864 40 0 BDABRO CCOc1c(C)cccc1CNCC[NH3+] ZINC000095094949 384962426 /nfs/dbraw/zinc/96/24/26/384962426.db2.gz VPSXPSXKNKJUDE-UHFFFAOYSA-N 1 0 208.305 1.442 40 0 BDABRO COc1cccc(NCc2n[nH]c([C@H](C)[NH3+])n2)c1 ZINC000095534658 385047557 /nfs/dbraw/zinc/04/75/57/385047557.db2.gz UEIZWKPAZFDJEH-QMMMGPOBSA-N 1 0 247.302 1.445 40 0 BDABRO c1ncc(COC[C@H]2CCCC[NH2+]2)s1 ZINC000072203782 385057680 /nfs/dbraw/zinc/05/76/80/385057680.db2.gz INPCFUJUGCPAPP-SECBINFHSA-N 1 0 212.318 1.802 40 0 BDABRO CCSc1ncc(C[NH2+]CCCOC)cn1 ZINC000062717326 385030509 /nfs/dbraw/zinc/03/05/09/385030509.db2.gz GJLVIGZNOPOJLE-UHFFFAOYSA-N 1 0 241.360 1.715 40 0 BDABRO CCSc1ncc(C[NH2+]CCCCO)cn1 ZINC000062717335 385031431 /nfs/dbraw/zinc/03/14/31/385031431.db2.gz SKHXSJTUCSVKCL-UHFFFAOYSA-N 1 0 241.360 1.451 40 0 BDABRO c1cc([C@@H]2CC[N@@H+](Cc3cccnc3)C2)n[nH]1 ZINC000072187655 385043719 /nfs/dbraw/zinc/04/37/19/385043719.db2.gz KWZYSLMHJALBIR-GFCCVEGCSA-N 1 0 228.299 1.794 40 0 BDABRO CC[C@@H](O)c1cnc(N2CCOCC2)cc1C ZINC000072223552 385112156 /nfs/dbraw/zinc/11/21/56/385112156.db2.gz DVULAWJQATUCFH-GFCCVEGCSA-N 1 0 236.315 1.670 40 0 BDABRO Cc1cc(N2CCCCC2)ncc1C[NH3+] ZINC000072223493 385112606 /nfs/dbraw/zinc/11/26/06/385112606.db2.gz SLPFBWIJWJZBEH-UHFFFAOYSA-N 1 0 205.305 1.839 40 0 BDABRO C[NH2+]Cc1cnc(N2CCCC2)cc1C ZINC000072223486 385113038 /nfs/dbraw/zinc/11/30/38/385113038.db2.gz KRRAQCVKQXJTMP-UHFFFAOYSA-N 1 0 205.305 1.710 40 0 BDABRO Cc1nc(N2CCOCC2)ccc1[C@H](C)[NH3+] ZINC000072224602 385118406 /nfs/dbraw/zinc/11/84/06/385118406.db2.gz VFCUZKXQZKDMDH-VIFPVBQESA-N 1 0 221.304 1.246 40 0 BDABRO CCC[C@H](CCC[NH2+]CCOC)OC ZINC000085396242 385162274 /nfs/dbraw/zinc/16/22/74/385162274.db2.gz LAJCXAAZJPQFOI-LLVKDONJSA-N 1 0 203.326 1.818 40 0 BDABRO CC(C)c1ccc(COC[C@H](O)C[NH3+])cc1 ZINC000095096243 385200822 /nfs/dbraw/zinc/20/08/22/385200822.db2.gz BSPGDNBUAGPCEN-CYBMUJFWSA-N 1 0 223.316 1.646 40 0 BDABRO O=C1c2ccc(F)cc2CN1[C@@H]1CC[NH2+]C1 ZINC000098213945 385219322 /nfs/dbraw/zinc/21/93/22/385219322.db2.gz VWQAXJUNYJKVDQ-SNVBAGLBSA-N 1 0 220.247 1.143 40 0 BDABRO FC(F)(F)c1n[nH]c2c1[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000096510272 385244568 /nfs/dbraw/zinc/24/45/68/385244568.db2.gz QZURSFJAYRUXFC-CRCLSJGQSA-N 1 0 217.194 1.778 40 0 BDABRO CC[C@@H](C)[C@H]([NH3+])c1nc2cnccc2c(=O)[nH]1 ZINC000096510444 385248658 /nfs/dbraw/zinc/24/86/58/385248658.db2.gz JQTFBPXJFVGEPQ-XCBNKYQSSA-N 1 0 232.287 1.776 40 0 BDABRO O=c1c([C@@H]2CCC[NH2+]2)cccn1C1CC1 ZINC000096510366 385250069 /nfs/dbraw/zinc/25/00/69/385250069.db2.gz WZVVYOLTNOYSGL-NSHDSACASA-N 1 0 204.273 1.608 40 0 BDABRO O=Cc1ccccc1OCCCN1CC[NH2+]CC1 ZINC000019798088 385310778 /nfs/dbraw/zinc/31/07/78/385310778.db2.gz NQJZWOCAINNKKS-UHFFFAOYSA-N 1 0 248.326 1.173 40 0 BDABRO CC(=O)c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)s1 ZINC000335404189 385322543 /nfs/dbraw/zinc/32/25/43/385322543.db2.gz YGNPDFOAVUBMEL-MRVPVSSYSA-N 1 0 238.312 1.124 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1ccc(N)cc1 ZINC000096524823 385275801 /nfs/dbraw/zinc/27/58/01/385275801.db2.gz KWKNNVLPBMNHNZ-KWQFWETISA-N 1 0 242.344 1.092 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1cccc(F)c1 ZINC000096524838 385277350 /nfs/dbraw/zinc/27/73/50/385277350.db2.gz YVPJRVCTYOFYEN-LDYMZIIASA-N 1 0 245.319 1.649 40 0 BDABRO O=c1c2c(cnn1C1CCCC1)CC[NH2+]C2 ZINC000095098021 385483228 /nfs/dbraw/zinc/48/32/28/385483228.db2.gz PSDYVNRMOCVFEL-UHFFFAOYSA-N 1 0 219.288 1.004 40 0 BDABRO [NH3+]Cc1ccc2c(c1)nnn2CC(F)(F)F ZINC000328579624 385490122 /nfs/dbraw/zinc/49/01/22/385490122.db2.gz RTOVURBYKYZGFR-UHFFFAOYSA-N 1 0 230.193 1.452 40 0 BDABRO CCC[C@H]([NH3+])CN1CCN(c2ccccn2)CC1 ZINC000036873548 385587932 /nfs/dbraw/zinc/58/79/32/385587932.db2.gz DKYXFNYIWDCRTP-ZDUSSCGKSA-N 1 0 248.374 1.331 40 0 BDABRO c1ccc(CO[C@H]2CSC3(C[NH2+]C3)C2)nc1 ZINC000253595569 385686940 /nfs/dbraw/zinc/68/69/40/385686940.db2.gz GGSYQTGPOJYPQH-LLVKDONJSA-N 1 0 236.340 1.446 40 0 BDABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc(Cl)cc1 ZINC000062713475 385697450 /nfs/dbraw/zinc/69/74/50/385697450.db2.gz NJYRNIMNZFYCPB-GHMZBOCLSA-N 1 0 211.692 1.765 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@@H]1c1ccc(Cl)cc1 ZINC000062713479 385698761 /nfs/dbraw/zinc/69/87/61/385698761.db2.gz NJYRNIMNZFYCPB-MNOVXSKESA-N 1 0 211.692 1.765 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@H]1c1c(F)cccc1Cl ZINC000062713510 385698780 /nfs/dbraw/zinc/69/87/80/385698780.db2.gz OOIYCSVCKAYPSO-CPCISQLKSA-N 1 0 229.682 1.904 40 0 BDABRO CC[C@H](CO)[NH2+]Cc1cnc(SC)nc1 ZINC000062717209 385713799 /nfs/dbraw/zinc/71/37/99/385713799.db2.gz RIFFUONHLTXDAQ-SECBINFHSA-N 1 0 227.333 1.059 40 0 BDABRO COc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000038538913 385668152 /nfs/dbraw/zinc/66/81/52/385668152.db2.gz BTRUBANQYGVSJZ-SNVBAGLBSA-N 1 0 241.718 1.915 40 0 BDABRO [NH3+]C[C@@H](c1ccncc1)N1CCCCC1 ZINC000032021190 385757094 /nfs/dbraw/zinc/75/70/94/385757094.db2.gz UVTPSVJPZZHEDH-LBPRGKRZSA-N 1 0 205.305 1.567 40 0 BDABRO c1n[nH]cc1-c1cnc(C[C@@H]2CCC[NH2+]C2)cn1 ZINC000257254674 385757266 /nfs/dbraw/zinc/75/72/66/385757266.db2.gz KEEUDMZQUZKBFX-JTQLQIEISA-N 1 0 243.314 1.409 40 0 BDABRO Cc1cc(-c2cc[nH]n2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000257322836 385764604 /nfs/dbraw/zinc/76/46/04/385764604.db2.gz WHPLLANAHBDEIY-SNVBAGLBSA-N 1 0 243.314 1.642 40 0 BDABRO Fc1ccc(C[C@H]2C[NH2+]CCOC2)cc1 ZINC000071511549 385781204 /nfs/dbraw/zinc/78/12/04/385781204.db2.gz YXLGMDDSFNQHNR-NSHDSACASA-N 1 0 209.264 1.604 40 0 BDABRO CC(C)Cc1nsc(N2CC[NH2+]CC2)n1 ZINC000213688090 385782543 /nfs/dbraw/zinc/78/25/43/385782543.db2.gz DOYQOFJCEGVUDN-UHFFFAOYSA-N 1 0 226.349 1.146 40 0 BDABRO COC(=O)c1ccc(C2CC[NH2+]CC2)nc1 ZINC000095761610 385883134 /nfs/dbraw/zinc/88/31/34/385883134.db2.gz HIXOSDHRTYKVJP-UHFFFAOYSA-N 1 0 220.272 1.335 40 0 BDABRO c1ccc(N[C@@H]2COC3(C2)CC[NH2+]CC3)nc1 ZINC000306140978 385991484 /nfs/dbraw/zinc/99/14/84/385991484.db2.gz VICHWBFYSUMIEL-NSHDSACASA-N 1 0 233.315 1.405 40 0 BDABRO COC(=O)c1ccc2c(c1)[C@]1(CC[NH2+]1)CC2 ZINC000306145654 385993811 /nfs/dbraw/zinc/99/38/11/385993811.db2.gz LZLPTNIYFWDHCG-CYBMUJFWSA-N 1 0 217.268 1.608 40 0 BDABRO COC(=O)c1ccc2c(c1)[C@@]1(CC[NH2+]1)CC2 ZINC000306145655 385994598 /nfs/dbraw/zinc/99/45/98/385994598.db2.gz LZLPTNIYFWDHCG-ZDUSSCGKSA-N 1 0 217.268 1.608 40 0 BDABRO C[C@@H](CCn1cccn1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000097234771 386034041 /nfs/dbraw/zinc/03/40/41/386034041.db2.gz GZVGDQZSELVZSH-QJPTWQEYSA-N 1 0 223.320 1.429 40 0 BDABRO N[C@@H](C[NH3+])c1ccccc1Br ZINC000034155393 386071633 /nfs/dbraw/zinc/07/16/33/386071633.db2.gz PAMGDOWWTHYUTI-QMMMGPOBSA-N 1 0 215.094 1.408 40 0 BDABRO C[NH2+][C@H](CO)c1ccccc1Br ZINC000038121326 386123012 /nfs/dbraw/zinc/12/30/12/386123012.db2.gz JDFOEVZULSZZCM-SECBINFHSA-N 1 0 230.105 1.702 40 0 BDABRO CCN(CC)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363622 386229858 /nfs/dbraw/zinc/22/98/58/386229858.db2.gz DPIMLYSVINCYCY-ZDUSSCGKSA-N 1 0 234.343 1.963 40 0 BDABRO CCCc1ccc(C[NH2+]CCOC)n1C ZINC000226020702 386231903 /nfs/dbraw/zinc/23/19/03/386231903.db2.gz OIERHPBQIHXWFB-UHFFFAOYSA-N 1 0 210.321 1.714 40 0 BDABRO Cc1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000218871659 386363619 /nfs/dbraw/zinc/36/36/19/386363619.db2.gz SLQCEYKQQSWTIW-CHWSQXEVSA-N 1 0 204.317 1.964 40 0 BDABRO O=C1c2cccc(F)c2CN1[C@@H]1CC[NH2+]C1 ZINC000098213961 386582816 /nfs/dbraw/zinc/58/28/16/386582816.db2.gz KKEJUPUDAHEFJT-MRVPVSSYSA-N 1 0 220.247 1.143 40 0 BDABRO C[C@@H]1CCCN(c2ccncc2C[NH3+])C1 ZINC000088114697 386826012 /nfs/dbraw/zinc/82/60/12/386826012.db2.gz UISRPZWNRQHEQU-SNVBAGLBSA-N 1 0 205.305 1.777 40 0 BDABRO O=C(c1cccc(F)c1)N1CC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000096249211 387025996 /nfs/dbraw/zinc/02/59/96/387025996.db2.gz FTALEENNIGJITL-YPMHNXCESA-N 1 0 248.301 1.650 40 0 BDABRO CCO[C@@H](C[NH2+]C)c1ccccc1OC ZINC000050482219 387274120 /nfs/dbraw/zinc/27/41/20/387274120.db2.gz ILPZROBFOHIYAI-LBPRGKRZSA-N 1 0 209.289 1.992 40 0 BDABRO CC[NH+](CC)CCNCc1cn(C)nc1C ZINC000125923395 387852986 /nfs/dbraw/zinc/85/29/86/387852986.db2.gz FDXPNVDSKVGOJB-UHFFFAOYSA-N 1 0 224.352 1.160 40 0 BDABRO COC(=O)c1cccc(CNC2CC[NH2+]CC2)c1 ZINC000067800997 387854416 /nfs/dbraw/zinc/85/44/16/387854416.db2.gz PDJWWOXMHAYPSL-UHFFFAOYSA-N 1 0 248.326 1.315 40 0 BDABRO CCCn1nc(C)cc1C[NH2+]CCCCO ZINC000256052159 387860939 /nfs/dbraw/zinc/86/09/39/387860939.db2.gz MCXBDCBKBYXJNN-UHFFFAOYSA-N 1 0 225.336 1.464 40 0 BDABRO Cn1cc(CC[NH+](C)C)c2c1cccc2O ZINC000013985099 387881643 /nfs/dbraw/zinc/88/16/43/387881643.db2.gz MZZRFEIDRWKTKJ-UHFFFAOYSA-N 1 0 218.300 1.988 40 0 in-vivo BDABRO [NH3+][C@@H]1CCN(Cc2ccccc2)C2(COC2)C1 ZINC000082344127 388030141 /nfs/dbraw/zinc/03/01/41/388030141.db2.gz CCVUPUKVQXRLAJ-CYBMUJFWSA-N 1 0 232.327 1.379 40 0 BDABRO C[NH+](C)CCn1cnc2c1ncnc2Cl ZINC000038579988 388404714 /nfs/dbraw/zinc/40/47/14/388404714.db2.gz CJFSVJUSMWHOJH-UHFFFAOYSA-N 1 0 225.683 1.041 40 0 BDABRO FC(F)(F)c1cncnc1C1CC[NH2+]CC1 ZINC000038580687 388405020 /nfs/dbraw/zinc/40/50/20/388405020.db2.gz GPXAODMSGOPMAX-UHFFFAOYSA-N 1 0 231.221 1.962 40 0 BDABRO Cc1c(F)cccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000038538758 388371188 /nfs/dbraw/zinc/37/11/88/388371188.db2.gz MFZXNHCASYGCSS-LLVKDONJSA-N 1 0 209.264 1.701 40 0 BDABRO COc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1C ZINC000038538904 388371331 /nfs/dbraw/zinc/37/13/31/388371331.db2.gz FQIZILXRTMZPTH-GFCCVEGCSA-N 1 0 221.300 1.570 40 0 BDABRO Nc1c(Br)sc2c1CC[NH2+]C2 ZINC000132944042 388372700 /nfs/dbraw/zinc/37/27/00/388372700.db2.gz VVHFVWAOWJEUGR-UHFFFAOYSA-N 1 0 233.134 1.739 40 0 BDABRO Clc1ccc(C[C@@H]2C[NH2+]CCO2)cc1 ZINC000059470844 388397229 /nfs/dbraw/zinc/39/72/29/388397229.db2.gz SPUGFTAFIPYATD-LLVKDONJSA-N 1 0 211.692 1.871 40 0 BDABRO CCCOc1ccc([C@H]2CN(C)C[C@H]2[NH3+])cc1 ZINC000242522400 388398256 /nfs/dbraw/zinc/39/82/56/388398256.db2.gz IQRLYFZCLWBADM-ZIAGYGMSSA-N 1 0 234.343 1.832 40 0 BDABRO C[NH2+][C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000242592228 388399690 /nfs/dbraw/zinc/39/96/90/388399690.db2.gz ONIWGZRBYOFFRX-ITGUQSILSA-N 1 0 202.301 1.336 40 0 BDABRO CC(C)[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000242548691 388399719 /nfs/dbraw/zinc/39/97/19/388399719.db2.gz LTOJGMARRMZDEK-GRYCIOLGSA-N 1 0 224.348 1.489 40 0 BDABRO CC(C)[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000242548692 388399726 /nfs/dbraw/zinc/39/97/26/388399726.db2.gz LTOJGMARRMZDEK-SDDRHHMPSA-N 1 0 224.348 1.489 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccc(OC)cc1 ZINC000242723259 388400575 /nfs/dbraw/zinc/40/05/75/388400575.db2.gz YJRBAAJTLOQLSQ-QWHCGFSZSA-N 1 0 249.310 1.513 40 0 BDABRO CCc1ccc([C@@H]2[C@@H]([NH3+])[C@H]2S(C)(=O)=O)cc1 ZINC000242390285 388580261 /nfs/dbraw/zinc/58/02/61/388580261.db2.gz AIPMMWQRUVROCI-UTUOFQBUSA-N 1 0 239.340 1.087 40 0 BDABRO COC(=O)C[C@H](C[NH3+])c1ccccc1F ZINC000057496482 388626890 /nfs/dbraw/zinc/62/68/90/388626890.db2.gz BYBANSMEKDMHGN-MRVPVSSYSA-N 1 0 211.236 1.431 40 0 BDABRO CC(C)(C)OC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000083259241 388653310 /nfs/dbraw/zinc/65/33/10/388653310.db2.gz PZCDWEOQKBSMMC-QMMMGPOBSA-N 1 0 216.325 1.885 40 0 BDABRO CS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1[NH3+] ZINC000252515283 388654077 /nfs/dbraw/zinc/65/40/77/388654077.db2.gz IDKGHMDCFUPBRN-UTLUCORTSA-N 1 0 245.731 1.178 40 0 BDABRO [NH3+]CCc1nc(C2=Cc3ccccc3OC2)no1 ZINC000062716582 388654914 /nfs/dbraw/zinc/65/49/14/388654914.db2.gz WMZNPPUIWPEPOS-UHFFFAOYSA-N 1 0 243.266 1.504 40 0 BDABRO CCO[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000062711891 388655028 /nfs/dbraw/zinc/65/50/28/388655028.db2.gz SGCKJXWTYHNPBC-GFCCVEGCSA-N 1 0 225.288 1.740 40 0 BDABRO CCO[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000062711866 388655336 /nfs/dbraw/zinc/65/53/36/388655336.db2.gz WPMVETZAQAOUEA-NSHDSACASA-N 1 0 209.245 1.452 40 0 BDABRO CC1(C)N(O)C=C(c2cccs2)[N+]1=O ZINC000019320441 388738109 /nfs/dbraw/zinc/73/81/09/388738109.db2.gz YMNAXAQNCGERND-UHFFFAOYSA-N 1 0 210.258 1.378 40 0 BDABRO c1nc(NC[C@@H]2CCCC[NH2+]2)cc(NC2CC2)n1 ZINC000079439584 388696102 /nfs/dbraw/zinc/69/61/02/388696102.db2.gz XYSKXQJGZHXKNQ-NSHDSACASA-N 1 0 247.346 1.605 40 0 BDABRO C[C@@H]([NH3+])c1nnc(-c2cccc(O)c2)[nH]1 ZINC000095534645 388777213 /nfs/dbraw/zinc/77/72/13/388777213.db2.gz KNMZJDKVONFTSX-ZCFIWIBFSA-N 1 0 204.233 1.197 40 0 BDABRO C[C@@H]([NH3+])c1nc(-c2ccccc2O)n[nH]1 ZINC000095534641 388779206 /nfs/dbraw/zinc/77/92/06/388779206.db2.gz RXQSCZPBTOSKDR-ZCFIWIBFSA-N 1 0 204.233 1.197 40 0 BDABRO Cc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c(N)c1 ZINC000008702608 132319134 /nfs/dbraw/zinc/31/91/34/132319134.db2.gz ZMBZYVXBSGVVOS-PHIMTYICSA-N 1 0 219.332 1.764 40 0 BDABRO Fc1cccc2c(N3CC[NH2+]CC3)ccnc12 ZINC000040175316 132296105 /nfs/dbraw/zinc/29/61/05/132296105.db2.gz HGSSQMNZLQKAKC-UHFFFAOYSA-N 1 0 231.274 1.784 40 0 BDABRO C[C@@H]1CN(c2ccccc2N)C[C@@H](C)[NH2+]1 ZINC000008702428 132318861 /nfs/dbraw/zinc/31/88/61/132318861.db2.gz LWLNUWZFCRXDQC-NXEZZACHSA-N 1 0 205.305 1.455 40 0 BDABRO Cc1cnc(N2CC[NH2+][C@H](C)C2)nc1Cl ZINC000072203412 132396594 /nfs/dbraw/zinc/39/65/94/132396594.db2.gz JHEURMRMMBAQQM-MRVPVSSYSA-N 1 0 226.711 1.237 40 0 BDABRO Cc1ccc(N2CCN(C[C@@H](C)[NH3+])CC2)c(C)c1 ZINC000096523926 132431657 /nfs/dbraw/zinc/43/16/57/132431657.db2.gz NIKAZEINGHWAMN-CQSZACIVSA-N 1 0 247.386 1.773 40 0 BDABRO c1nc(COc2cccnc2)c2n1CCC[NH2+]C2 ZINC000306127014 135368821 /nfs/dbraw/zinc/36/88/21/135368821.db2.gz FLMAHLKWZOZSEY-UHFFFAOYSA-N 1 0 244.298 1.350 40 0 BDABRO CC[C@@H]([NH3+])Cn1nc(-c2ccoc2C)oc1=O ZINC000013566335 397845668 /nfs/dbraw/zinc/84/56/68/397845668.db2.gz DKDZOOXCKCDHAR-MRVPVSSYSA-N 1 0 237.259 1.142 40 0 BDABRO CCCn1cc(C[NH2+]Cc2ccnn2C)c(C)n1 ZINC000256050072 398040627 /nfs/dbraw/zinc/04/06/27/398040627.db2.gz CNDIWTWSHCHNNO-UHFFFAOYSA-N 1 0 247.346 1.625 40 0 BDABRO Cc1csc2ncnc(N3CCC[NH2+]CC3)c12 ZINC000012955375 397981274 /nfs/dbraw/zinc/98/12/74/397981274.db2.gz SXJSWKDFUBISNH-UHFFFAOYSA-N 1 0 248.355 1.799 40 0 BDABRO CNc1ncc(C[NH2+]CCC(C)C)cn1 ZINC000062717487 398054989 /nfs/dbraw/zinc/05/49/89/398054989.db2.gz AWIJXYBQSVVEOZ-UHFFFAOYSA-N 1 0 208.309 1.654 40 0 BDABRO CC(C)OCCCN(CC[NH3+])Cc1ccco1 ZINC000096523720 167212598 /nfs/dbraw/zinc/21/25/98/167212598.db2.gz DVOYYCOIBBPUBC-UHFFFAOYSA-N 1 0 240.347 1.855 40 0 BDABRO c1ccc2c(c1)OC[C@H](C[NH2+]C1CC1)O2 ZINC000036947961 409791867 /nfs/dbraw/zinc/79/18/67/409791867.db2.gz ZMFDDGSEGURALT-JTQLQIEISA-N 1 0 205.257 1.578 40 0 BDABRO [NH3+][C@@H]1c2ccc(Br)cc2C[C@@H]1O ZINC000072406689 410028328 /nfs/dbraw/zinc/02/83/28/410028328.db2.gz YZIMVSYYLNJRLQ-DTWKUNHWSA-N 1 0 228.089 1.366 40 0 BDABRO CCN(CC)C(=O)COc1ccc(C(N)=[NH2+])cc1 ZINC000062714658 169749500 /nfs/dbraw/zinc/74/95/00/169749500.db2.gz ROYRDCMIZYSMCD-UHFFFAOYSA-N 1 0 249.314 1.218 40 0 BDABRO CC(C)[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC000096044285 167114160 /nfs/dbraw/zinc/11/41/60/167114160.db2.gz WQSLGJJXYCUCKI-JTQLQIEISA-N 1 0 209.293 1.032 40 0 BDABRO CC(C)[NH2+]C[C@H](O)COC(=O)c1cccs1 ZINC000003594106 167115688 /nfs/dbraw/zinc/11/56/88/167115688.db2.gz NSOWWSRAVDMEOZ-VIFPVBQESA-N 1 0 243.328 1.264 40 0 BDABRO CCOc1cccc2c1NC[C@H](C[NH3+])[C@@H]2O ZINC000217538015 411181920 /nfs/dbraw/zinc/18/19/20/411181920.db2.gz XRPXBHTXPHARQS-UFBFGSQYSA-N 1 0 222.288 1.119 40 0 BDABRO [NH3+][C@@H]1C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218005479 411184121 /nfs/dbraw/zinc/18/41/21/411184121.db2.gz AHCXSLUQKZFUNX-RKDXNWHRSA-N 1 0 231.704 1.213 40 0 BDABRO N[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424921 411165498 /nfs/dbraw/zinc/16/54/98/411165498.db2.gz JLMCDYSDCCEFAP-MRVPVSSYSA-N 1 0 205.088 1.952 40 0 BDABRO CC1CC(CNC(=O)C2CC[NH2+]CC2)C1 ZINC000096526148 168139078 /nfs/dbraw/zinc/13/90/78/168139078.db2.gz ISJPRERBLNLVJH-UHFFFAOYSA-N 1 0 210.321 1.148 40 0 BDABRO CC1CCN([C@@H](C[NH3+])c2cccnc2)CC1 ZINC000019771665 168186416 /nfs/dbraw/zinc/18/64/16/168186416.db2.gz FHSGAHODISKNAP-ZDUSSCGKSA-N 1 0 219.332 1.813 40 0 BDABRO CCC(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000046959894 168229126 /nfs/dbraw/zinc/22/91/26/168229126.db2.gz DOJBJNNNMVSMSP-LLVKDONJSA-N 1 0 212.337 1.635 40 0 BDABRO CC[N@@H+]1CC[C@H](CNc2ccnc(Cl)n2)C1 ZINC000038579682 170017432 /nfs/dbraw/zinc/01/74/32/170017432.db2.gz ZTEHEZPIXNFRBQ-SECBINFHSA-N 1 0 240.738 1.884 40 0 BDABRO CC[NH2+]C[C@H]1COc2cccc(OCC)c2O1 ZINC000005807773 170123570 /nfs/dbraw/zinc/12/35/70/170123570.db2.gz WYTWFSUJPMHZBN-JTQLQIEISA-N 1 0 237.299 1.835 40 0 BDABRO CC[NH2+]Cc1ccc(Br)nc1 ZINC000072194557 170126884 /nfs/dbraw/zinc/12/68/84/170126884.db2.gz BFLXSKZTPUZOCG-UHFFFAOYSA-N 1 0 215.094 1.954 40 0 BDABRO CCOC(=O)CC[NH2+]CCc1ccccc1 ZINC000034929418 170209122 /nfs/dbraw/zinc/20/91/22/170209122.db2.gz BWGWNMRMEDERRE-UHFFFAOYSA-N 1 0 221.300 1.772 40 0 BDABRO CCOC(=O)CC[NH2+]CC(C)(C)C[NH+](C)C ZINC000036667548 170209678 /nfs/dbraw/zinc/20/96/78/170209678.db2.gz PLRDJDPNRPVMMU-UHFFFAOYSA-N 1 0 230.352 1.117 40 0 BDABRO CCOC(=O)c1ccc(N2CCC[NH2+]CC2)cc1 ZINC000026898520 170295981 /nfs/dbraw/zinc/29/59/81/170295981.db2.gz CPZYWQDZBRVMRS-UHFFFAOYSA-N 1 0 248.326 1.663 40 0 BDABRO CCOC(=O)c1nc2c(s1)CC[NH2+]CC2 ZINC000306130349 170308287 /nfs/dbraw/zinc/30/82/87/170308287.db2.gz JDDPNLYPUACRJO-UHFFFAOYSA-N 1 0 226.301 1.008 40 0 BDABRO CCOC1(c2cnn(CC)c2)CC[NH2+]CC1 ZINC000096525690 170319895 /nfs/dbraw/zinc/31/98/95/170319895.db2.gz KZKRBQFMYHTBPX-UHFFFAOYSA-N 1 0 223.320 1.518 40 0 BDABRO CCOCCCN1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000218830397 170373727 /nfs/dbraw/zinc/37/37/27/170373727.db2.gz KZKNJYKAMVANNE-CHWSQXEVSA-N 1 0 226.364 1.629 40 0 BDABRO CCOCCC[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219091 170380685 /nfs/dbraw/zinc/38/06/85/170380685.db2.gz PIGIANFZCGEGAX-NSHDSACASA-N 1 0 245.363 1.980 40 0 BDABRO CCOCCC[NH2+]Cc1cn(CC)nc1C ZINC000256051634 170381349 /nfs/dbraw/zinc/38/13/49/170381349.db2.gz JYRCWNUJEUOTSP-UHFFFAOYSA-N 1 0 225.336 1.728 40 0 BDABRO CCO[C@@H](C[NH2+]C)c1cccc(OC)c1 ZINC000050482200 170478074 /nfs/dbraw/zinc/47/80/74/170478074.db2.gz JNOKYQVDLQJNHT-LBPRGKRZSA-N 1 0 209.289 1.992 40 0 BDABRO CC[C@@H]1[NH2+][C@@H]1CCOC(=O)c1ccccc1 ZINC000169804297 171150718 /nfs/dbraw/zinc/15/07/18/171150718.db2.gz XNQACXQKUXBMHZ-NWDGAFQWSA-N 1 0 219.284 1.984 40 0 BDABRO CC(C)(C)n1nccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000225814154 322929694 /nfs/dbraw/zinc/92/96/94/322929694.db2.gz DMVMTGCRIWNKHC-VIFPVBQESA-N 1 0 236.319 1.329 40 0 BDABRO CCc1ccccc1-n1cnc(C[NH3+])c1 ZINC000082639009 171870186 /nfs/dbraw/zinc/87/01/86/171870186.db2.gz MBUMVDBSPPRPQZ-UHFFFAOYSA-N 1 0 201.273 1.893 40 0 BDABRO CCn1c2ccccc2nc1CCC[NH3+] ZINC000011568676 172143322 /nfs/dbraw/zinc/14/33/22/172143322.db2.gz MMPYLGDLAQYMQA-UHFFFAOYSA-N 1 0 203.289 1.948 40 0 BDABRO CCn1ncc(CN(C)C[C@H]([NH3+])C(C)C)c1C ZINC000096523745 172255330 /nfs/dbraw/zinc/25/53/30/172255330.db2.gz QQPJEGVWDWBYPG-ZDUSSCGKSA-N 1 0 238.379 1.627 40 0 BDABRO C[N@@H+]1CCC[C@@H]1c1nccnc1-n1ccnc1 ZINC000072382195 173035984 /nfs/dbraw/zinc/03/59/84/173035984.db2.gz JAOVEODSSMCAFP-SNVBAGLBSA-N 1 0 229.287 1.429 40 0 BDABRO C[N@@H+]1CCC[C@H](C(=O)NCCc2ccccc2)C1 ZINC000078578388 173039515 /nfs/dbraw/zinc/03/95/15/173039515.db2.gz XWGAEGPDSXDLOY-AWEZNQCLSA-N 1 0 246.354 1.687 40 0 BDABRO CN(C)c1ccc([C@H]2CCC[N@H+](C)C2)nc1 ZINC000072381234 173048947 /nfs/dbraw/zinc/04/89/47/173048947.db2.gz HAMYRKUTYKMWNY-NSHDSACASA-N 1 0 219.332 1.957 40 0 BDABRO C[N@@H+]1CCC[C@H]1c1cnc(-c2cc[nH]n2)cn1 ZINC000257339685 173058345 /nfs/dbraw/zinc/05/83/45/173058345.db2.gz ZCTMWUYKCAQGHP-LBPRGKRZSA-N 1 0 229.287 1.633 40 0 BDABRO C[N@@H+]1CC[C@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 ZINC000257270599 173147856 /nfs/dbraw/zinc/14/78/56/173147856.db2.gz MUWLPKMTSYMXIH-SNVBAGLBSA-N 1 0 243.314 1.361 40 0 BDABRO CN1C[C@H]([NH3+])[C@H](c2cccc(Cl)c2)C1 ZINC000217661079 173193199 /nfs/dbraw/zinc/19/31/99/173193199.db2.gz JTOBATWTMMBNKW-QWRGUYRKSA-N 1 0 210.708 1.696 40 0 BDABRO C[NH2+]CCN1CC=C(c2ccccc2)CC1 ZINC000096523936 173354596 /nfs/dbraw/zinc/35/45/96/173354596.db2.gz COHLJSHMNIAJCT-UHFFFAOYSA-N 1 0 216.328 1.995 40 0 BDABRO C[NH2+]C[C@@H](OC)c1ccc(OC)c(OC)c1 ZINC000014584741 173367230 /nfs/dbraw/zinc/36/72/30/173367230.db2.gz DYEDYZOGYUEUAY-GFCCVEGCSA-N 1 0 225.288 1.611 40 0 BDABRO C[NH2+]C[C@@H](OC)c1ccc(F)cc1F ZINC000062711478 173367233 /nfs/dbraw/zinc/36/72/33/173367233.db2.gz MZSYKMOADZXACJ-SNVBAGLBSA-N 1 0 201.216 1.872 40 0 BDABRO C[NH2+]Cc1cc2cccc3c2n(c1=O)[C@H](C)C3 ZINC000036644000 173388385 /nfs/dbraw/zinc/38/83/85/173388385.db2.gz IXAGTAMVYLXFDV-SECBINFHSA-N 1 0 228.295 1.838 40 0 BDABRO COCCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000036926693 174240142 /nfs/dbraw/zinc/24/01/42/174240142.db2.gz BLWIFIOODSNDCP-LBPRGKRZSA-N 1 0 236.315 1.229 40 0 BDABRO COCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000070631444 174335800 /nfs/dbraw/zinc/33/58/00/174335800.db2.gz ZQZHGBQZEBFVGN-UHFFFAOYSA-N 1 0 211.309 1.508 40 0 BDABRO COCCO[C@@H]1CC[N@H+](C)[C@H]1Cc1ccccc1 ZINC000096069815 174365591 /nfs/dbraw/zinc/36/55/91/174365591.db2.gz JXQNFNICVVAFAC-LSDHHAIUSA-N 1 0 249.354 1.965 40 0 BDABRO COc1cc2c(cc1O)[C@@H](C)[N@H+](C)CC2 ZINC000002005325 175023160 /nfs/dbraw/zinc/02/31/60/175023160.db2.gz QFSVLNAGJRAZFV-MRVPVSSYSA-N 1 0 207.273 1.950 40 0 biogenic,in-vitro BDABRO COc1cc2c(cc1O)[C@H](C)[N@H+](C)CC2 ZINC000002005324 175023175 /nfs/dbraw/zinc/02/31/75/175023175.db2.gz QFSVLNAGJRAZFV-QMMMGPOBSA-N 1 0 207.273 1.950 40 0 biogenic,in-vitro BDABRO COc1cc2c(cc1OC)[C@H](C[NH3+])OCC2 ZINC000006127134 175025380 /nfs/dbraw/zinc/02/53/80/175025380.db2.gz DBUACXMTTVEUAH-LBPRGKRZSA-N 1 0 223.272 1.276 40 0 BDABRO COc1ccc(-c2c[nH]c(N)[nH+]2)cc1OC ZINC000031891163 175035691 /nfs/dbraw/zinc/03/56/91/175035691.db2.gz UVADNQLAIFRWHT-UHFFFAOYSA-N 1 0 219.244 1.676 40 0 BDABRO COc1ccc(C=[N+]2CCC(=S)N2)cc1 ZINC000263620209 175049744 /nfs/dbraw/zinc/04/97/44/175049744.db2.gz YWVCNFNZWSIXSH-JYRVWZFOSA-O 1 0 221.305 1.774 40 0 BDABRO COc1ccc(C2=NO[C@H](C[NH3+])C2)cc1OC ZINC000070434957 175085259 /nfs/dbraw/zinc/08/52/59/175085259.db2.gz WGIBGJPLZYKVJO-VIFPVBQESA-N 1 0 236.271 1.156 40 0 BDABRO COc1ccc(CNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000011958402 175104663 /nfs/dbraw/zinc/10/46/63/175104663.db2.gz XFIGDNDEWOITCP-LBPRGKRZSA-N 1 0 236.315 1.295 40 0 BDABRO COc1ccc(Cl)cc1[C@](C)(O)C[NH3+] ZINC000036159306 175123061 /nfs/dbraw/zinc/12/30/61/175123061.db2.gz JVLJDKZGXSGSTO-SNVBAGLBSA-N 1 0 215.680 1.515 40 0 BDABRO COc1ccc(N[C@@H]2CCC[C@@H]2[NH3+])c(OC)c1 ZINC000218877091 175154018 /nfs/dbraw/zinc/15/40/18/175154018.db2.gz IBZZGXWTOISVDD-WDEREUQCSA-N 1 0 236.315 1.996 40 0 BDABRO COc1ccc2c(c1)[C@@]1(C[C@@H]1[NH3+])CCO2 ZINC000218687061 175216825 /nfs/dbraw/zinc/21/68/25/175216825.db2.gz QPSANWIUZNLNLW-RYUDHWBXSA-N 1 0 205.257 1.447 40 0 BDABRO COc1ccc2c(c1)[C@H]1OCC[NH2+][C@@H]1CC2 ZINC000001611847 175217197 /nfs/dbraw/zinc/21/71/97/175217197.db2.gz ZBQMPCXNGKZCPK-CHWSQXEVSA-N 1 0 219.284 1.671 40 0 in-vitro BDABRO COc1cccc(C(=O)N2CCC([NH3+])CC2)c1 ZINC000004299060 175243531 /nfs/dbraw/zinc/24/35/31/175243531.db2.gz DQPXTZFNWPGMPV-UHFFFAOYSA-N 1 0 234.299 1.259 40 0 BDABRO COc1cccc(C[N@H+](CCO)C(C)C)c1 ZINC000049825646 175256394 /nfs/dbraw/zinc/25/63/94/175256394.db2.gz DKVLIKLUCJTSKB-UHFFFAOYSA-N 1 0 223.316 1.898 40 0 BDABRO COc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000038538846 175260222 /nfs/dbraw/zinc/26/02/22/175260222.db2.gz LPYMTQJBJKJOAF-NSHDSACASA-N 1 0 207.273 1.262 40 0 BDABRO COc1cccc(N[C@H]2CCC[C@H]2[NH3+])c1 ZINC000218876331 175280175 /nfs/dbraw/zinc/28/01/75/175280175.db2.gz PIYNVKHKNJOAOO-NEPJUHHUSA-N 1 0 206.289 1.987 40 0 BDABRO COc1cccc2c(NCC[NH3+])ccnc12 ZINC000212127163 175300184 /nfs/dbraw/zinc/30/01/84/175300184.db2.gz NMZHORRCGWVCIN-UHFFFAOYSA-N 1 0 217.272 1.614 40 0 BDABRO COc1cccc2c(NCC[NH3+])cc(C)nc12 ZINC000222689748 175300199 /nfs/dbraw/zinc/30/01/99/175300199.db2.gz RTHIFBSFCQXXOJ-UHFFFAOYSA-N 1 0 231.299 1.922 40 0 BDABRO COc1ccccc1CN1CC[C@H]([NH3+])C1 ZINC000031996533 175328371 /nfs/dbraw/zinc/32/83/71/175328371.db2.gz MBAGLGVPJNVVJH-NSHDSACASA-N 1 0 206.289 1.228 40 0 BDABRO COc1ccccc1C[C@@H](O)C[NH2+]CC(C)C ZINC000001669907 175332432 /nfs/dbraw/zinc/33/24/32/175332432.db2.gz SPBZJFIVZBXDEK-CYBMUJFWSA-N 1 0 237.343 1.844 40 0 BDABRO COc1ccccc1N1CCC[NH2+]CC1 ZINC000026898523 175336227 /nfs/dbraw/zinc/33/62/27/175336227.db2.gz AOVWBCZPFUFQJU-UHFFFAOYSA-N 1 0 206.289 1.495 40 0 BDABRO C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCOC1=O ZINC000001742502 175884530 /nfs/dbraw/zinc/88/45/30/175884530.db2.gz YFNUTVUFJSHKBJ-DGCLKSJQSA-N 1 0 233.311 1.770 40 0 BDABRO C[C@@H](c1ccc(F)cc1)N(C(=O)C[NH3+])C1CC1 ZINC000079421202 176014608 /nfs/dbraw/zinc/01/46/08/176014608.db2.gz XYGUUUJMNWHOHC-VIFPVBQESA-N 1 0 236.290 1.836 40 0 BDABRO C[C@@H](c1ccccn1)N(CC[NH3+])C1CC1 ZINC000079421756 176027788 /nfs/dbraw/zinc/02/77/88/176027788.db2.gz DBWCPHOHJSCLQA-JTQLQIEISA-N 1 0 205.305 1.566 40 0 BDABRO C[C@@H](c1cnccn1)N1CCC[C@@H](C[NH3+])C1 ZINC000100438432 176036602 /nfs/dbraw/zinc/03/66/02/176036602.db2.gz HIOUSJAYXATCKX-QWRGUYRKSA-N 1 0 220.320 1.208 40 0 BDABRO C[C@@H]1CCC[N@H+](Cc2cc(N)n(C)n2)C1 ZINC000058083898 176100238 /nfs/dbraw/zinc/10/02/38/176100238.db2.gz RKXCOCNENJPZRQ-SECBINFHSA-N 1 0 208.309 1.234 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)CCc1ccccc1 ZINC000054370241 176325672 /nfs/dbraw/zinc/32/56/72/176325672.db2.gz UJPWAQLDRTVTNX-GFCCVEGCSA-N 1 0 232.327 1.440 40 0 BDABRO C[C@H](O)[C@@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000098044668 177006871 /nfs/dbraw/zinc/00/68/71/177006871.db2.gz UJFAUIPJOQKLMK-TVQRCGJNSA-N 1 0 244.294 1.486 40 0 BDABRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](CO)C1 ZINC000072203954 177043682 /nfs/dbraw/zinc/04/36/82/177043682.db2.gz CCCKFMGXAZWYAU-NEPJUHHUSA-N 1 0 220.316 1.847 40 0 BDABRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](O)C1 ZINC000072203945 177043711 /nfs/dbraw/zinc/04/37/11/177043711.db2.gz IKDJNGOSFJDSOY-MNOVXSKESA-N 1 0 206.289 1.599 40 0 BDABRO C[C@H](c1cnccn1)N(C)[C@H]1CCC[NH2+]C1 ZINC000095068179 177051436 /nfs/dbraw/zinc/05/14/36/177051436.db2.gz LLZIMHNFJBPJTN-MNOVXSKESA-N 1 0 220.320 1.221 40 0 BDABRO C[C@H]1CCCCN1C(=O)CC1CC[NH2+]CC1 ZINC000019483841 177072197 /nfs/dbraw/zinc/07/21/97/177072197.db2.gz AZTYLAURSGBYRB-NSHDSACASA-N 1 0 224.348 1.777 40 0 BDABRO C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000169951767 177093960 /nfs/dbraw/zinc/09/39/60/177093960.db2.gz FIUSVJRWHMQPEW-NWDGAFQWSA-N 1 0 224.348 1.587 40 0 BDABRO C[C@H]1CN(Cc2ccccc2F)CC[NH2+]1 ZINC000071511155 177266714 /nfs/dbraw/zinc/26/67/14/177266714.db2.gz UONVHGUETUAYJV-JTQLQIEISA-N 1 0 208.280 1.619 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)c1cccs1 ZINC000054370380 177283591 /nfs/dbraw/zinc/28/35/91/177283591.db2.gz ZXBAZKIDQGDEAA-QMMMGPOBSA-N 1 0 210.302 1.182 40 0 BDABRO C[C@H]1C[NH2+]CCN1Cc1c(F)cccc1F ZINC000071978825 177284104 /nfs/dbraw/zinc/28/41/04/177284104.db2.gz BBGLPBXJJUZCQW-VIFPVBQESA-N 1 0 226.270 1.759 40 0 BDABRO C[C@H]1C[C@@H]([NH2+]C[C@H](O)CO)CC(C)(C)C1 ZINC000001677165 177331636 /nfs/dbraw/zinc/33/16/36/177331636.db2.gz IMTMQBHEIQEOEX-AXFHLTTASA-N 1 0 215.337 1.144 40 0 BDABRO CC(C)(C)OC(=O)CCc1c[nH+]ccc1N ZINC000228938505 518791145 /nfs/dbraw/zinc/79/11/45/518791145.db2.gz NCZZSOYQKYCGSD-UHFFFAOYSA-N 1 0 222.288 1.938 40 0 BDABRO CC(C)c1ccc(S(=O)(=O)CC(N)=[NH2+])cc1 ZINC000228964035 519838294 /nfs/dbraw/zinc/83/82/94/519838294.db2.gz NLBJMLVNQBKIKS-UHFFFAOYSA-N 1 0 240.328 1.520 40 0 BDABRO CCCOc1nn(C)c2cc(C[NH3+])ccc21 ZINC000225772715 520503964 /nfs/dbraw/zinc/50/39/64/520503964.db2.gz XJCQJXTXQDEBLW-UHFFFAOYSA-N 1 0 219.288 1.821 40 0 BDABRO CNc1c[nH+]cc(Br)c1N ZINC000225742546 522674070 /nfs/dbraw/zinc/67/40/70/522674070.db2.gz FWVBKSAWNBZHJH-UHFFFAOYSA-N 1 0 202.055 1.468 40 0 BDABRO CCn1cc(C[NH2+]Cc2cnn(C)c2)c(C)n1 ZINC000020349841 523383971 /nfs/dbraw/zinc/38/39/71/523383971.db2.gz FTBRFKBMCNVVSQ-UHFFFAOYSA-N 1 0 233.319 1.235 40 0 BDABRO COCCN(C)c1cccc([C@H]2CCC[N@@H+]2C)n1 ZINC000072386846 523636047 /nfs/dbraw/zinc/63/60/47/523636047.db2.gz IYSOYMWKCZAVGX-CYBMUJFWSA-N 1 0 249.358 1.931 40 0 BDABRO COc1ccc2c(c1OC)C[NH2+]CCC2 ZINC000225742705 525613458 /nfs/dbraw/zinc/61/34/58/525613458.db2.gz DFNFDHRPLLRVQC-UHFFFAOYSA-N 1 0 207.273 1.740 40 0 BDABRO C[NH2+][C@H]1CCCN(c2nc(C)cc(Cl)n2)C1 ZINC000072203747 536415485 /nfs/dbraw/zinc/41/54/85/536415485.db2.gz QOZZNROSMTVLFV-VIFPVBQESA-N 1 0 240.738 1.627 40 0 BDABRO COc1ccc2c(c1C)C[N@@H+](C)C[C@@H]2O ZINC000261828411 537021448 /nfs/dbraw/zinc/02/14/48/537021448.db2.gz NMWZMHMUHNQISD-NSHDSACASA-N 1 0 207.273 1.482 40 0 BDABRO Cn1cccc1-c1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000328579676 633778277 /nfs/dbraw/zinc/77/82/77/633778277.db2.gz VWHVIHNPZUTMCZ-VIFPVBQESA-N 1 0 232.287 1.890 40 0 BDABRO CC(C)[NH2+]Cc1cc2c([nH]c1=O)CCCC2 ZINC000082674925 636339191 /nfs/dbraw/zinc/33/91/91/636339191.db2.gz MYMOUIGOYLFNSR-UHFFFAOYSA-N 1 0 220.316 1.752 40 0 BDABRO [NH3+]Cc1cc(OC(F)F)c(Cl)cn1 ZINC001504245133 963641763 /nfs/dbraw/zinc/64/17/63/963641763.db2.gz USMIJCVFKDFBLK-UHFFFAOYSA-N 1 0 208.595 1.795 40 0 BDABRO O=C1CC2(CC[NH2+]CC2)ON1Cc1ccccc1 ZINC001549168538 990789185 /nfs/dbraw/zinc/78/91/85/990789185.db2.gz XGWPHWFTTVARPR-UHFFFAOYSA-N 1 0 246.310 1.473 40 0 BDABRO COC1=CC2=C[NH2+]CCC[C@@H]2C=C1OC ZINC001570007902 992434772 /nfs/dbraw/zinc/43/47/72/992434772.db2.gz QXQILGOWXPCKRX-SECBINFHSA-N 1 0 207.273 1.944 40 0 BDABRO CC[N@@H+]1CCC[C@@H](Cc2ccc(NC)nn2)C1 ZINC000072387238 343980117 /nfs/dbraw/zinc/98/01/17/343980117.db2.gz XGLLTUGSNXOWEJ-NSHDSACASA-N 1 0 234.347 1.793 40 0 BDABRO Cc1cc(C[N@@H+]2CC[C@@H](O)C2)ccc1F ZINC000038538896 178000417 /nfs/dbraw/zinc/00/04/17/178000417.db2.gz RZHLITVBKAITBF-LLVKDONJSA-N 1 0 209.264 1.701 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000008699273 398254943 /nfs/dbraw/zinc/25/49/43/398254943.db2.gz REBCUOWHHZXWGJ-QWRGUYRKSA-N 1 0 223.247 1.302 40 0 BDABRO Cc1ccccc1[C@](C)(CO)[NH+]1CCOCC1 ZINC000070453409 259313866 /nfs/dbraw/zinc/31/38/66/259313866.db2.gz TYKBWVYDHMWKMJ-AWEZNQCLSA-N 1 0 235.327 1.535 40 0 BDABRO CNC(=O)C[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000072208285 259315547 /nfs/dbraw/zinc/31/55/47/259315547.db2.gz FPKGPEIWGVFPBT-ONGXEEELSA-N 1 0 206.289 1.254 40 0 BDABRO Cc1ccc(C[N@H+](CCO)C2CC2)cc1 ZINC000048065353 342671214 /nfs/dbraw/zinc/67/12/14/342671214.db2.gz LUAIFRWTFZOIQM-UHFFFAOYSA-N 1 0 205.301 1.952 40 0 BDABRO CCN(CC)C(=O)Cc1ccc(CC[NH3+])cc1 ZINC000002599324 342726078 /nfs/dbraw/zinc/72/60/78/342726078.db2.gz JWIBWGRVKLDSGD-UHFFFAOYSA-N 1 0 234.343 1.599 40 0 BDABRO CCOc1cccc(C[NH2+]C[C@@H](C)O)c1 ZINC000008325232 342797954 /nfs/dbraw/zinc/79/79/54/342797954.db2.gz BJNSAXOVNYADGF-SNVBAGLBSA-N 1 0 209.289 1.556 40 0 BDABRO CN1C[C@@H]([NH3+])[C@@H](c2cccc(Cl)c2)C1 ZINC000074150678 259323102 /nfs/dbraw/zinc/32/31/02/259323102.db2.gz JTOBATWTMMBNKW-GHMZBOCLSA-N 1 0 210.708 1.696 40 0 BDABRO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CC1CC1 ZINC000096057811 398312380 /nfs/dbraw/zinc/31/23/80/398312380.db2.gz IUXWEIBNXRBVHO-YNEHKIRRSA-N 1 0 225.332 1.665 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccc(OC)cc1 ZINC000217670354 398322578 /nfs/dbraw/zinc/32/25/78/398322578.db2.gz YJRBAAJTLOQLSQ-OLZOCXBDSA-N 1 0 249.310 1.513 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1cccc(OC)c1 ZINC000217670136 398322797 /nfs/dbraw/zinc/32/27/97/398322797.db2.gz LNISMTZZVFQDHO-OLZOCXBDSA-N 1 0 249.310 1.513 40 0 BDABRO c1coc(CN2CC[NH2+][C@H]3CCC[C@H]32)c1 ZINC000218839851 398328818 /nfs/dbraw/zinc/32/88/18/398328818.db2.gz MTDIBQMZBJQULT-NWDGAFQWSA-N 1 0 206.289 1.606 40 0 BDABRO [NH3+][C@H]1CCc2cc(Br)ccc2[C@@H]1O ZINC000019795476 342957983 /nfs/dbraw/zinc/95/79/83/342957983.db2.gz SQGHVXDQPFYPPD-UWVGGRQHSA-N 1 0 242.116 1.756 40 0 BDABRO Clc1ccc(CCN2CC[NH2+]CC2)cc1 ZINC000019801184 342958191 /nfs/dbraw/zinc/95/81/91/342958191.db2.gz GMIRFHIMHXOTKR-UHFFFAOYSA-N 1 0 224.735 1.788 40 0 BDABRO C1=C([NH+]2CCCC2)N(N2CCCC2)CC1 ZINC000237992318 343222174 /nfs/dbraw/zinc/22/21/74/343222174.db2.gz OMCPANGXRFAESP-UHFFFAOYSA-N 1 0 207.321 1.640 40 0 BDABRO COC(=O)C[C@@H](C)[NH2+]Cc1ccccc1OC ZINC000035747737 343303514 /nfs/dbraw/zinc/30/35/14/343303514.db2.gz LAHPMPRIVRYSJO-SNVBAGLBSA-N 1 0 237.299 1.736 40 0 BDABRO C[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000038092783 343316663 /nfs/dbraw/zinc/31/66/63/343316663.db2.gz OLUXNBVXNWJBQB-YUMQZZPRSA-N 1 0 226.707 1.864 40 0 BDABRO O=c1cc2n(cc1O)[C@H]1CCCC[C@H]1[NH2+]C2 ZINC000040164034 343398017 /nfs/dbraw/zinc/39/80/17/343398017.db2.gz OYXZENZTYWZNNE-ZJUUUORDSA-N 1 0 220.272 1.141 40 0 BDABRO CCN(Cc1ccccc1F)C(=O)[C@H](C)[NH3+] ZINC000079420535 343400677 /nfs/dbraw/zinc/40/06/77/343400677.db2.gz AVFSDVWUJLFUPJ-VIFPVBQESA-N 1 0 224.279 1.521 40 0 BDABRO CC[C@@H](c1ccccc1)N(C)C(=O)[C@H](C)[NH3+] ZINC000079421254 343400753 /nfs/dbraw/zinc/40/07/53/343400753.db2.gz DCHFAJJXEQGGDU-JQWIXIFHSA-N 1 0 220.316 1.943 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2CC[NH2+]CC[C@@H]2C1 ZINC000043214581 343466475 /nfs/dbraw/zinc/46/64/75/343466475.db2.gz SXVYKJHEKCFXFM-GHMZBOCLSA-N 1 0 240.347 1.853 40 0 BDABRO C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000049633816 343604757 /nfs/dbraw/zinc/60/47/57/343604757.db2.gz FTOVUGFWLNAHDH-UHFFFAOYSA-N 1 0 244.132 1.873 40 0 BDABRO CC(C)(C)OC(=O)N1C[Si](C)(C)C[C@@H]1C[NH3+] ZINC000584905907 343605352 /nfs/dbraw/zinc/60/53/52/343605352.db2.gz YKBUGEMRVHYICE-VIFPVBQESA-N 1 0 244.411 1.812 40 0 BDABRO CC[C@@H]([C@H]([NH3+])c1cccc(F)c1)S(C)(=O)=O ZINC000096524895 343759066 /nfs/dbraw/zinc/75/90/66/343759066.db2.gz RUEODEQCTMMNTB-WDEREUQCSA-N 1 0 245.319 1.649 40 0 BDABRO Cc1noc(C)c1Cn1cc(CC[NH3+])cn1 ZINC000575623341 343875728 /nfs/dbraw/zinc/87/57/28/343875728.db2.gz LDXANHJRPZDSDJ-UHFFFAOYSA-N 1 0 220.276 1.037 40 0 BDABRO [NH3+]CCCc1cnn(C[C@@H]2CCCCO2)c1 ZINC000575623462 343876292 /nfs/dbraw/zinc/87/62/92/343876292.db2.gz SNZDKVFJBZLUAU-LBPRGKRZSA-N 1 0 223.320 1.344 40 0 BDABRO C[C@@H](CC[NH3+])n1nc(C2CC2)ccc1=O ZINC000575622692 343877667 /nfs/dbraw/zinc/87/76/67/343877667.db2.gz QBWHAOWWQGHRRS-QMMMGPOBSA-N 1 0 207.277 1.031 40 0 BDABRO Cc1nc(COC[C@@H]2CCCC[NH2+]2)co1 ZINC000585144061 343879217 /nfs/dbraw/zinc/87/92/17/343879217.db2.gz BFUIWWNSUVQBSI-JTQLQIEISA-N 1 0 210.277 1.642 40 0 BDABRO Cc1nc(COC[C@@H]2CCC[NH2+]C2)co1 ZINC000585144646 343879454 /nfs/dbraw/zinc/87/94/54/343879454.db2.gz WORUBKYAIGXNCQ-SNVBAGLBSA-N 1 0 210.277 1.499 40 0 BDABRO Nc1[nH]cc(-c2ccc3c(c2)OCO3)[nH+]1 ZINC000036157464 343944559 /nfs/dbraw/zinc/94/45/59/343944559.db2.gz ZBSWWBGNXOJRPS-UHFFFAOYSA-N 1 0 203.201 1.388 40 0 BDABRO Cc1cccc(C)c1-n1cc(C[NH3+])nn1 ZINC000585143444 344178420 /nfs/dbraw/zinc/17/84/20/344178420.db2.gz MNLVQRGBBKJWMS-UHFFFAOYSA-N 1 0 202.261 1.343 40 0 BDABRO C[C@H]([NH3+])c1cnn(C[C@H]2CCCOC2)c1 ZINC000585143040 344178702 /nfs/dbraw/zinc/17/87/02/344178702.db2.gz OTOLBYMCQWRTJK-VHSXEESVSA-N 1 0 209.293 1.329 40 0 BDABRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccsc3)[C@@H]2C1 ZINC000585107625 344135120 /nfs/dbraw/zinc/13/51/20/344135120.db2.gz ALQLHJFBHMVPPA-MWLCHTKSSA-N 1 0 236.340 1.524 40 0 BDABRO C[C@]1(c2ccnc3ccnn32)CCC[NH2+]1 ZINC000585178914 344276328 /nfs/dbraw/zinc/27/63/28/344276328.db2.gz NZWHPOSADPHDFJ-LLVKDONJSA-N 1 0 202.261 1.328 40 0 BDABRO Cc1ncc(CO)c(C[NH2+]CCC(C)C)c1O ZINC000167260409 346223361 /nfs/dbraw/zinc/22/33/61/346223361.db2.gz JXKIRFUGLRGMEM-UHFFFAOYSA-N 1 0 238.331 1.724 40 0 BDABRO C[N@@H+]1CC[C@H](c2ccccc2F)[C@@H](CO)C1 ZINC000022116080 347100701 /nfs/dbraw/zinc/10/07/01/347100701.db2.gz MTPBJZJBULTHST-MNOVXSKESA-N 1 0 223.291 1.853 40 0 BDABRO Cc1cccc(N2CC[C@H](OCC[NH3+])C2)c1 ZINC000096528315 179123418 /nfs/dbraw/zinc/12/34/18/179123418.db2.gz QKKBEBFYQGOTMF-ZDUSSCGKSA-N 1 0 220.316 1.549 40 0 BDABRO Cc1cccc(N2CC[C@H](OCCC[NH3+])C2)c1 ZINC000096528374 179123735 /nfs/dbraw/zinc/12/37/35/179123735.db2.gz NOUCEFSJPLQXFI-AWEZNQCLSA-N 1 0 234.343 1.939 40 0 BDABRO [NH3+][C@H](CCCC[NH2+]C1CCCCC1)C(=O)[O-] ZINC000005840523 346632438 /nfs/dbraw/zinc/63/24/38/346632438.db2.gz PVSCEBQLSKNNAT-LLVKDONJSA-N 1 0 228.336 1.491 40 0 BDABRO Cc1cccc(NC(=O)[C@H]([NH3+])C(C)C)n1 ZINC000083891295 179140544 /nfs/dbraw/zinc/14/05/44/179140544.db2.gz RPPGMUVXFFONCE-SNVBAGLBSA-N 1 0 207.277 1.312 40 0 BDABRO Cc1cccc(Nc2c[nH+]c(N)nc2N)c1 ZINC000015858155 179158792 /nfs/dbraw/zinc/15/87/92/179158792.db2.gz AVFIBIOBEPPHEO-UHFFFAOYSA-N 1 0 215.260 1.693 40 0 BDABRO Cc1cccc([C@H]2CCCN(C(=O)C[NH3+])C2)n1 ZINC000072383393 179203844 /nfs/dbraw/zinc/20/38/44/179203844.db2.gz QDAVSWBEVQNBLZ-NSHDSACASA-N 1 0 233.315 1.055 40 0 BDABRO c1cc2c(C[C@@H]3C[NH2+]CCOC3)cccn2n1 ZINC000221923809 348200043 /nfs/dbraw/zinc/20/00/43/348200043.db2.gz JXWOSLJBLTYPBH-LLVKDONJSA-N 1 0 231.299 1.113 40 0 BDABRO CN(C)c1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000036335539 187392769 /nfs/dbraw/zinc/39/27/69/187392769.db2.gz KZTCNTQSSOKWAI-UHFFFAOYSA-N 1 0 247.342 1.691 40 0 BDABRO CCC[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717615 259407472 /nfs/dbraw/zinc/40/74/72/259407472.db2.gz HCSXJPLTHYNGEN-UHFFFAOYSA-N 1 0 208.309 1.797 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(N)=[NH2+] ZINC000058681284 191000671 /nfs/dbraw/zinc/00/06/71/191000671.db2.gz ZCUQKBLYCPKOJS-SSDOTTSWSA-N 1 0 213.281 1.322 40 0 BDABRO COC(=O)[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000022123335 350084302 /nfs/dbraw/zinc/08/43/02/350084302.db2.gz DZFTVPOHLWWIRN-LLVKDONJSA-N 1 0 213.321 1.916 40 0 BDABRO Cc1nc2c(c(N3CC[C@@H]([NH3+])C3)n1)CCCC2 ZINC000096516910 180067655 /nfs/dbraw/zinc/06/76/55/180067655.db2.gz DSWFTYHKSAYEQJ-SNVBAGLBSA-N 1 0 232.331 1.201 40 0 BDABRO Cc1ncnc2c1CC[N@H+](Cc1ccco1)CC2 ZINC000096058587 180291163 /nfs/dbraw/zinc/29/11/63/180291163.db2.gz DWXMPJFFFPCJAF-UHFFFAOYSA-N 1 0 243.310 1.979 40 0 BDABRO Cc1ncnc2c1CC[N@H+](Cc1ccoc1)CC2 ZINC000096058588 180291212 /nfs/dbraw/zinc/29/12/12/180291212.db2.gz KANQKWROIAVWJV-UHFFFAOYSA-N 1 0 243.310 1.979 40 0 BDABRO Cc1nn(C)c(F)c1C[NH2+]CCCOC(C)C ZINC000256050207 180351399 /nfs/dbraw/zinc/35/13/99/180351399.db2.gz DECRPYIAPYLSNY-UHFFFAOYSA-N 1 0 243.326 1.772 40 0 BDABRO CC(C)([NH3+])COc1nonc1-c1ccccc1 ZINC000004838305 191121385 /nfs/dbraw/zinc/12/13/85/191121385.db2.gz MCKCCWAGBLLCHN-UHFFFAOYSA-N 1 0 233.271 1.853 40 0 BDABRO CC(C)[NH2+][C@@H]1CCN(c2ccc(N)cn2)C1 ZINC000256052019 351033759 /nfs/dbraw/zinc/03/37/59/351033759.db2.gz LOEVDIIMFACTKM-LLVKDONJSA-N 1 0 220.320 1.241 40 0 BDABRO CC[NH+]1CCC2(CC1)c1ccccc1NC2=O ZINC000033824259 363149061 /nfs/dbraw/zinc/14/90/61/363149061.db2.gz NMQXSMRPHNDIOB-UHFFFAOYSA-N 1 0 230.311 1.992 40 0 BDABRO CC(=O)NC1CC[NH+](Cc2ccco2)CC1 ZINC000092670041 538107722 /nfs/dbraw/zinc/10/77/22/538107722.db2.gz WMSICZBBLJLRGP-UHFFFAOYSA-N 1 0 222.288 1.380 40 0 BDABRO COc1ccc(Cn2cc[nH+]c2N)cc1 ZINC000037483171 188107083 /nfs/dbraw/zinc/10/70/83/188107083.db2.gz QITMWFGOHWCWPU-UHFFFAOYSA-N 1 0 203.245 1.522 40 0 BDABRO CCn1nc(C)cc1[C@H]1CCCN1CC[NH3+] ZINC000022763060 188109569 /nfs/dbraw/zinc/10/95/69/188109569.db2.gz OOAJODVDOMKPIL-LLVKDONJSA-N 1 0 222.336 1.307 40 0 BDABRO CC(C)N(C(=O)OC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000079437630 188117744 /nfs/dbraw/zinc/11/77/44/188117744.db2.gz ZHPPISBEWBMXCD-JTQLQIEISA-N 1 0 228.336 1.994 40 0 BDABRO CC(C)[N@H+](C)C1CCC([NH2+]CC(=O)[O-])CC1 ZINC000079419756 188118283 /nfs/dbraw/zinc/11/82/83/188118283.db2.gz ACCKOIBVQPZXOE-UHFFFAOYSA-N 1 0 228.336 1.312 40 0 BDABRO c1cc(N2CCCC2)nnc1C[C@H]1CCC[NH2+]C1 ZINC000072386389 188131608 /nfs/dbraw/zinc/13/16/08/188131608.db2.gz BNNKVDXATGVJEY-GFCCVEGCSA-N 1 0 246.358 1.619 40 0 BDABRO CC(C)[N@H+](CCO)[C@H]1CCCC[C@@H]1N(C)C ZINC000079406078 188136818 /nfs/dbraw/zinc/13/68/18/188136818.db2.gz FUGWAFHEEDYZQR-STQMWFEESA-N 1 0 228.380 1.562 40 0 BDABRO CC(=O)N1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000096157334 188147572 /nfs/dbraw/zinc/14/75/72/188147572.db2.gz QQXICGRHDOXXDX-UHFFFAOYSA-N 1 0 244.338 1.670 40 0 BDABRO CCOc1ccccc1NC(=O)C[NH2+]C ZINC000019482964 188180657 /nfs/dbraw/zinc/18/06/57/188180657.db2.gz LQDHJDQOXSDJHD-UHFFFAOYSA-N 1 0 208.261 1.243 40 0 BDABRO C[C@H]1C[NH2+]C[C@H]1CNC(=O)OCc1ccccc1 ZINC000261507821 188192942 /nfs/dbraw/zinc/19/29/42/188192942.db2.gz MOLMLWGKYIEJFM-AAEUAGOBSA-N 1 0 248.326 1.768 40 0 BDABRO O[C@@]1(COc2cccc(Cl)c2)CCC[NH2+]C1 ZINC000383824420 355366345 /nfs/dbraw/zinc/36/63/45/355366345.db2.gz KKHVKDWIJXOVLO-LBPRGKRZSA-N 1 0 241.718 1.833 40 0 BDABRO NC(=[NH2+])SCc1nc2ccccc2[nH]1 ZINC000005286505 181192769 /nfs/dbraw/zinc/19/27/69/181192769.db2.gz AGUUPQKMGYQIAB-UHFFFAOYSA-N 1 0 206.274 1.690 40 0 BDABRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(C)CC1 ZINC000019489290 356642837 /nfs/dbraw/zinc/64/28/37/356642837.db2.gz ABKYPXAITGORTR-GHMZBOCLSA-N 1 0 212.337 1.618 40 0 BDABRO Cn1nc(C[NH+](C)C)c(-c2cccc(F)c2)c1N ZINC000026511949 357164326 /nfs/dbraw/zinc/16/43/26/357164326.db2.gz GJBQUOYADCNOKV-UHFFFAOYSA-N 1 0 248.305 1.870 40 0 BDABRO CC(C)(C)OC(=O)Nc1cnc(C[NH3+])cn1 ZINC000026522381 357166715 /nfs/dbraw/zinc/16/67/15/357166715.db2.gz RPXRWQLSUYIKRJ-UHFFFAOYSA-N 1 0 224.264 1.282 40 0 in-vitro BDABRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(N)n(C)n1 ZINC000058083892 357343636 /nfs/dbraw/zinc/34/36/36/357343636.db2.gz NSCIMBSQTMVVSI-LLVKDONJSA-N 1 0 222.336 1.767 40 0 BDABRO COc1cccc(-c2cnc(CC[NH3+])o2)c1 ZINC000041231075 259487240 /nfs/dbraw/zinc/48/72/40/259487240.db2.gz GCCXKIKBWILZNQ-UHFFFAOYSA-N 1 0 218.256 1.851 40 0 BDABRO C[NH2+]Cc1ccc(Cc2ccco2)n1C ZINC000226021263 219875468 /nfs/dbraw/zinc/87/54/68/219875468.db2.gz WETZIRPHHIUHHC-UHFFFAOYSA-N 1 0 204.273 1.928 40 0 BDABRO [NH3+][C@@H]1CCCN(c2nc3ccccc3[nH]2)C1 ZINC000041030338 361173362 /nfs/dbraw/zinc/17/33/62/361173362.db2.gz RCLYMORVSRZNHW-SECBINFHSA-N 1 0 216.288 1.490 40 0 BDABRO [NH3+]C1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000036753356 181343535 /nfs/dbraw/zinc/34/35/35/181343535.db2.gz KIMITIKFZAQFCH-UHFFFAOYSA-N 1 0 244.298 1.126 40 0 BDABRO [NH3+]C1CCN(CC(=O)c2cccs2)CC1 ZINC000050158322 181343916 /nfs/dbraw/zinc/34/39/16/181343916.db2.gz IAXPHQDAZLOHPL-UHFFFAOYSA-N 1 0 224.329 1.354 40 0 BDABRO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CC(F)(F)F ZINC000032627528 181345294 /nfs/dbraw/zinc/34/52/94/181345294.db2.gz FVEGNLPZFSQOKN-IEESLHIDSA-N 1 0 208.227 1.503 40 0 BDABRO [NH3+]CC1CCN(C(=O)c2ccoc2)CC1 ZINC000044512699 181365508 /nfs/dbraw/zinc/36/55/08/181365508.db2.gz HSOFBOOCVFKRFM-UHFFFAOYSA-N 1 0 208.261 1.091 40 0 BDABRO Cc1cc(N2CCOCC2)ncc1[C@@H](C)[NH3+] ZINC000072223555 259532626 /nfs/dbraw/zinc/53/26/26/259532626.db2.gz FEXWKCGVQQLSBC-SNVBAGLBSA-N 1 0 221.304 1.246 40 0 BDABRO [NH3+]CCN(Cc1nccnc1Cl)C1CC1 ZINC000079422302 181391075 /nfs/dbraw/zinc/39/10/75/181391075.db2.gz DUHNGYPKOVJNLY-UHFFFAOYSA-N 1 0 226.711 1.053 40 0 BDABRO [NH3+]CCc1noc(-c2ccccc2F)n1 ZINC000019682109 181414742 /nfs/dbraw/zinc/41/47/42/181414742.db2.gz ALIJUCSYGOBBNK-UHFFFAOYSA-N 1 0 207.208 1.377 40 0 BDABRO O=C1NCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000114863726 368342991 /nfs/dbraw/zinc/34/29/91/368342991.db2.gz KLBIDDAWGHRPBL-QWHCGFSZSA-N 1 0 230.311 1.255 40 0 BDABRO c1cnc(C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC000205684454 368356411 /nfs/dbraw/zinc/35/64/11/368356411.db2.gz AHCODKIFFVAIPK-IJLUTSLNSA-N 1 0 217.316 1.655 40 0 BDABRO CC[N@@H+]1CCC[C@H]1c1cccc(C(=O)NC)n1 ZINC000205675449 368356580 /nfs/dbraw/zinc/35/65/80/368356580.db2.gz DODYLWFIYADOOC-LBPRGKRZSA-N 1 0 233.315 1.598 40 0 BDABRO CC(C)[NH+]1CCC(c2cc(CCO)on2)CC1 ZINC000205702045 368359818 /nfs/dbraw/zinc/35/98/18/368359818.db2.gz NMIBYNUTIDZUGC-UHFFFAOYSA-N 1 0 238.331 1.797 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(N(C)C)cc1 ZINC000259758188 370938864 /nfs/dbraw/zinc/93/88/64/370938864.db2.gz LBLTZAGALIHVHZ-QWHCGFSZSA-N 1 0 248.326 1.229 40 0 BDABRO [NH3+]Cc1ccc(Oc2cnccn2)cc1 ZINC000002513164 181486002 /nfs/dbraw/zinc/48/60/02/181486002.db2.gz DQZGIOVUOGDEBG-UHFFFAOYSA-N 1 0 201.229 1.728 40 0 BDABRO CNc1cc(C)nc([C@@]2(C)CCC[NH2+]C2)n1 ZINC000205684689 369996644 /nfs/dbraw/zinc/99/66/44/369996644.db2.gz PXBPQRYDPJUMNA-LBPRGKRZSA-N 1 0 220.320 1.468 40 0 BDABRO Clc1nccnc1CC1CC[NH2+]CC1 ZINC000205696000 369997785 /nfs/dbraw/zinc/99/77/85/369997785.db2.gz NPCZRRFZIKASBI-UHFFFAOYSA-N 1 0 211.696 1.672 40 0 BDABRO C[N@@H+]1CCC[C@H]1c1cnc(-c2ncc[nH]2)cn1 ZINC000205693965 369998360 /nfs/dbraw/zinc/99/83/60/369998360.db2.gz MFHYLOVUSJCDLB-NSHDSACASA-N 1 0 229.287 1.633 40 0 BDABRO N[C@H]1C(=O)N(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000256052231 370635587 /nfs/dbraw/zinc/63/55/87/370635587.db2.gz MMESDOYNVGBLPW-MNOVXSKESA-N 1 0 220.247 1.199 40 0 BDABRO C[C@](O)(c1cccc(C[NH3+])c1)C(F)(F)F ZINC000256052779 370636731 /nfs/dbraw/zinc/63/67/31/370636731.db2.gz OPYXESNODAYKJC-VIFPVBQESA-N 1 0 219.206 1.915 40 0 BDABRO [NH3+][C@@H](CC(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000019440013 181538201 /nfs/dbraw/zinc/53/82/01/181538201.db2.gz DMZJZKJDHOFBDB-STQMWFEESA-N 1 0 248.326 1.372 40 0 BDABRO [NH3+][C@H]1CC[C@H](N2Cc3ccccc3C2=O)CC1 ZINC000255187192 181590941 /nfs/dbraw/zinc/59/09/41/181590941.db2.gz BVCPSRHECUDWEA-HAQNSBGRSA-N 1 0 230.311 1.912 40 0 BDABRO [NH3+][C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000040434231 181644085 /nfs/dbraw/zinc/64/40/85/181644085.db2.gz GUWYKPZOXCWZGB-VIFPVBQESA-N 1 0 210.302 1.311 40 0 BDABRO OC[C@@H]1C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000215721140 371619130 /nfs/dbraw/zinc/61/91/30/371619130.db2.gz MGNQLOJYBBCILH-WPRPVWTQSA-N 1 0 211.692 1.635 40 0 BDABRO CC(C)(C)OC(=O)N[C@@]1(C)CC[C@H]([NH3+])C1 ZINC000215737422 371623228 /nfs/dbraw/zinc/62/32/28/371623228.db2.gz IENWELREOWCTHU-KWQFWETISA-N 1 0 214.309 1.781 40 0 BDABRO O=C(C[C@@H]1COCC[NH2+]1)OCc1ccccc1 ZINC000026898391 182021847 /nfs/dbraw/zinc/02/18/47/182021847.db2.gz KQXPHVYRJYTGTM-GFCCVEGCSA-N 1 0 235.283 1.108 40 0 BDABRO O=C(C[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000054290526 182028270 /nfs/dbraw/zinc/02/82/70/182028270.db2.gz ZNIUHLSLGLOBGI-LLVKDONJSA-N 1 0 210.321 1.389 40 0 BDABRO CCCC[NH2+]C[C@H](O)COCc1ccco1 ZINC000037850538 168868511 /nfs/dbraw/zinc/86/85/11/168868511.db2.gz NIFVWGHPKASJEV-NSHDSACASA-N 1 0 227.304 1.547 40 0 BDABRO O=C1C[C@@H]2[NH2+]CC[C@H]2N1c1ccsc1 ZINC000096246043 182778968 /nfs/dbraw/zinc/77/89/68/182778968.db2.gz RISYASHBQSFZFP-DTWKUNHWSA-N 1 0 208.286 1.215 40 0 BDABRO OCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000000136661 183043159 /nfs/dbraw/zinc/04/31/59/183043159.db2.gz UNAOMPMSVGOVHN-UHFFFAOYSA-N 1 0 235.327 1.396 40 0 BDABRO OCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000044379677 183099774 /nfs/dbraw/zinc/09/97/74/183099774.db2.gz BPMBORRMSRGARL-UHFFFAOYSA-N 1 0 235.327 1.696 40 0 BDABRO CCCC[C@]12C[NH2+]C[C@](C)(CN(C)C1)[C@@H]2O ZINC000070666322 169016629 /nfs/dbraw/zinc/01/66/29/169016629.db2.gz DVMUGLYTZFLUFI-XQQFMLRXSA-N 1 0 226.364 1.079 40 0 BDABRO OCc1cc([C@@H]2CCC[N@H+](CC3CC3)C2)n[nH]1 ZINC000072350800 183161587 /nfs/dbraw/zinc/16/15/87/183161587.db2.gz REGZDTOKEOAOJK-LLVKDONJSA-N 1 0 235.331 1.491 40 0 BDABRO O[C@H](COC1CCCCC1)C[NH+]1CCCC1 ZINC000096305979 183226499 /nfs/dbraw/zinc/22/64/99/183226499.db2.gz YUEGAZAAVDQSCA-LBPRGKRZSA-N 1 0 227.348 1.792 40 0 BDABRO c1ccc(CN2CC3(C2)CCC[NH2+]3)cc1 ZINC000044137556 183397254 /nfs/dbraw/zinc/39/72/54/183397254.db2.gz JTRCAVAZHFBCOS-UHFFFAOYSA-N 1 0 202.301 1.624 40 0 BDABRO CCCOCc1nc(CCC[NH3+])cs1 ZINC000218315136 169311222 /nfs/dbraw/zinc/31/12/22/169311222.db2.gz LSHNRWVVZBYMIK-UHFFFAOYSA-N 1 0 214.334 1.961 40 0 BDABRO CCC[C@@H]([NH3+])CN(C)Cc1cnn(CC)c1C ZINC000096523982 169393245 /nfs/dbraw/zinc/39/32/45/169393245.db2.gz URNFMRIQVWHJJU-CYBMUJFWSA-N 1 0 238.379 1.771 40 0 BDABRO CCC[C@H]1C[C@H](OCCOCC)C[NH2+]1 ZINC000217861624 169534535 /nfs/dbraw/zinc/53/45/35/169534535.db2.gz FSCVLYYGDCOZPE-QWRGUYRKSA-N 1 0 201.310 1.570 40 0 BDABRO CC(C)(CO)[NH2+]C[C@@H](O)c1ccccc1 ZINC000000004237 383817967 /nfs/dbraw/zinc/81/79/67/383817967.db2.gz PVOOBRUZWPQOER-LLVKDONJSA-N 1 0 209.289 1.081 40 0 in-man BDABRO CC[NH+]1CCN(c2ccc(C)cc2N)CC1 ZINC000008702598 383929766 /nfs/dbraw/zinc/92/97/66/383929766.db2.gz ZRJHDWXESDHRSH-UHFFFAOYSA-N 1 0 219.332 1.719 40 0 BDABRO CC(=O)CC(=O)NCCC[NH+]1CCCCCC1 ZINC000001718854 383930824 /nfs/dbraw/zinc/93/08/24/383930824.db2.gz KXDGZLFCRIRNFI-UHFFFAOYSA-N 1 0 240.347 1.348 40 0 BDABRO Cc1cc(C(F)(F)F)cc(N(C)N)[nH+]1 ZINC000090400414 384021782 /nfs/dbraw/zinc/02/17/82/384021782.db2.gz ZDVZUFBUTIMKJB-UHFFFAOYSA-N 1 0 205.183 1.719 40 0 BDABRO O=C1OCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000004203322 384044201 /nfs/dbraw/zinc/04/42/01/384044201.db2.gz XLCRTPSFIQQHEF-QWHCGFSZSA-N 1 0 231.295 1.682 40 0 BDABRO [NH3+]C[C@H]1CC(c2cccc(Cl)c2)=NO1 ZINC000069978432 384070921 /nfs/dbraw/zinc/07/09/21/384070921.db2.gz GFUSKDVOLQNUOY-SECBINFHSA-N 1 0 210.664 1.792 40 0 BDABRO COC(=O)c1cccc(CN2CC[NH2+][C@H](C)C2)c1 ZINC000039952498 384125945 /nfs/dbraw/zinc/12/59/45/384125945.db2.gz VNLCTQUZDSXQHN-LLVKDONJSA-N 1 0 248.326 1.267 40 0 BDABRO C[NH2+][C@@H]1CCCC[C@H]1N(C(C)=O)C1CC1 ZINC000079438243 384146754 /nfs/dbraw/zinc/14/67/54/384146754.db2.gz MRMFGOPARWXEPW-VXGBXAGGSA-N 1 0 210.321 1.528 40 0 BDABRO C[NH2+][C@H]1CCCC[C@H]1N(C(C)=O)C1CC1 ZINC000079438237 384146927 /nfs/dbraw/zinc/14/69/27/384146927.db2.gz MRMFGOPARWXEPW-NWDGAFQWSA-N 1 0 210.321 1.528 40 0 BDABRO CC(C)N(CC[NH3+])Cc1cnc(Cl)s1 ZINC000079421972 384144576 /nfs/dbraw/zinc/14/45/76/384144576.db2.gz CFGCYIYOSAQVPK-UHFFFAOYSA-N 1 0 233.768 1.966 40 0 BDABRO CC(C)Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000062257523 384163622 /nfs/dbraw/zinc/16/36/22/384163622.db2.gz VABHRYJFVWSGNS-VIFPVBQESA-N 1 0 209.293 1.735 40 0 BDABRO c1ccc2c(c1)ncnc2N[C@@H]1CCC[NH2+]C1 ZINC000071397654 384165332 /nfs/dbraw/zinc/16/53/32/384165332.db2.gz HPVKBVQIZFDAFJ-SNVBAGLBSA-N 1 0 228.299 1.794 40 0 BDABRO Cc1ccc(CNC2CC[NH2+]CC2)c(F)c1 ZINC000067802647 384165600 /nfs/dbraw/zinc/16/56/00/384165600.db2.gz YLWBSNJMZOHUJT-UHFFFAOYSA-N 1 0 222.307 1.976 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000072187436 384197325 /nfs/dbraw/zinc/19/73/25/384197325.db2.gz LNTDJAQQPGLCGB-OLZOCXBDSA-N 1 0 249.310 1.042 40 0 BDABRO FC(F)CNc1cnc([C@H]2CCC[NH2+]2)cn1 ZINC000072386917 384220192 /nfs/dbraw/zinc/22/01/92/384220192.db2.gz LVWNPOFQHAFRAV-SSDOTTSWSA-N 1 0 228.246 1.578 40 0 BDABRO O=C1C[C@]2(C[C@H]3CC[C@@H]2[NH2+]3)Oc2ccccc21 ZINC000072398201 384221582 /nfs/dbraw/zinc/22/15/82/384221582.db2.gz CFFZNYKUCHNBJR-IIMNLJJBSA-N 1 0 229.279 1.915 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nc2cnccc2n1C ZINC000084132266 384225875 /nfs/dbraw/zinc/22/58/75/384225875.db2.gz UHPIGYAHGAVAFK-SNVBAGLBSA-N 1 0 204.277 1.624 40 0 BDABRO c1cncc(-c2n[nH]c(C3CC[NH2+]CC3)n2)c1 ZINC000012114031 384307183 /nfs/dbraw/zinc/30/71/83/384307183.db2.gz DFPRLLXWEWTIII-UHFFFAOYSA-N 1 0 229.287 1.334 40 0 BDABRO Cn1nc(COc2ccccn2)c2c1CC[NH2+]C2 ZINC000096259840 384342872 /nfs/dbraw/zinc/34/28/72/384342872.db2.gz WSLRQVDKJIDXDV-UHFFFAOYSA-N 1 0 244.298 1.040 40 0 BDABRO CSc1c2c(cc3c1[C@@H](O)C[NH2+]C3)OCO2 ZINC000095470381 384376983 /nfs/dbraw/zinc/37/69/83/384376983.db2.gz ZVUQNPWHQPXHEY-ZETCQYMHSA-N 1 0 239.296 1.274 40 0 BDABRO CCOCC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219022 384445902 /nfs/dbraw/zinc/44/59/02/384445902.db2.gz RXYPCEIOYUTETK-SNVBAGLBSA-N 1 0 231.336 1.590 40 0 BDABRO c1cnc2c(c1)C[NH2+]CCN2Cc1ccncc1 ZINC000096260856 384446868 /nfs/dbraw/zinc/44/68/68/384446868.db2.gz UIXSHZMWJOGNPD-UHFFFAOYSA-N 1 0 240.310 1.586 40 0 BDABRO CCOCC[NH2+]CCC(=O)OC(C)(C)C ZINC000047218953 384447003 /nfs/dbraw/zinc/44/70/03/384447003.db2.gz FTQMDBZBQIUQIT-UHFFFAOYSA-N 1 0 217.309 1.344 40 0 BDABRO C([C@@H]1CCOC1)[NH+]1CCC2(COC2)CC1 ZINC000096051234 384428820 /nfs/dbraw/zinc/42/88/20/384428820.db2.gz PKJZJOIAUSEVKW-NSHDSACASA-N 1 0 211.305 1.135 40 0 BDABRO O=C1CC[C@H]2[C@@H](CC[N@@H+]2Cc2cccs2)N1 ZINC000096056437 384429960 /nfs/dbraw/zinc/42/99/60/384429960.db2.gz WHSHBUZGQVUVBN-MNOVXSKESA-N 1 0 236.340 1.601 40 0 BDABRO CN1C(=O)CCC[C@@]12CCC[N@H+](CC1CC1)C2 ZINC000096049979 384430192 /nfs/dbraw/zinc/43/01/92/384430192.db2.gz MMCGWSQUHXESLZ-AWEZNQCLSA-N 1 0 236.359 1.873 40 0 BDABRO C[C@@H]1C[C@H]1C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC000096075381 384432415 /nfs/dbraw/zinc/43/24/15/384432415.db2.gz MAGYHAFKSNABKM-GHMZBOCLSA-N 1 0 222.332 1.387 40 0 BDABRO CN(Cc1ccco1)[C@@H]1C[NH2+][C@@H]2CCCO[C@@H]21 ZINC000096185986 384439422 /nfs/dbraw/zinc/43/94/22/384439422.db2.gz QLBSTDHQPBKZSP-UPJWGTAASA-N 1 0 236.315 1.231 40 0 BDABRO O=C(C1CCC1)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000096157171 384440585 /nfs/dbraw/zinc/44/05/85/384440585.db2.gz HTSNZIATOLOOSC-AWEZNQCLSA-N 1 0 236.359 1.779 40 0 BDABRO CCN(CC)c1cc(C2CC2)[nH+]c(N)n1 ZINC000078404602 384442773 /nfs/dbraw/zinc/44/27/73/384442773.db2.gz BSOPSCUZBZPJOL-UHFFFAOYSA-N 1 0 206.293 1.782 40 0 BDABRO Cc1nc([C@@H]([NH3+])Cc2ccccc2)cc(=O)[nH]1 ZINC000019285185 384515119 /nfs/dbraw/zinc/51/51/19/384515119.db2.gz LCXBBGQXJMYBLG-NSHDSACASA-N 1 0 229.283 1.321 40 0 BDABRO O=C1c2ccccc2C[C@H]1[C@H]1CCC[NH2+]1 ZINC000019695370 384531005 /nfs/dbraw/zinc/53/10/05/384531005.db2.gz ITATZIBCEDJSHE-NWDGAFQWSA-N 1 0 201.269 1.794 40 0 BDABRO O=C(NCC(F)(F)F)[C@@H]1CCCCC[NH2+]1 ZINC000082737780 384560710 /nfs/dbraw/zinc/56/07/10/384560710.db2.gz AIURGJHWXGAAQE-ZETCQYMHSA-N 1 0 224.226 1.197 40 0 BDABRO Clc1csc(N2CC[NH2+]CC2)n1 ZINC000075835245 384648649 /nfs/dbraw/zinc/64/86/49/384648649.db2.gz RONHBPYLQWCXBG-UHFFFAOYSA-N 1 0 203.698 1.206 40 0 BDABRO Cc1noc(C[C@@H]([NH3+])c2ccccc2)n1 ZINC000021806821 384693895 /nfs/dbraw/zinc/69/38/95/384693895.db2.gz DGYTXYALZMGNJZ-SNVBAGLBSA-N 1 0 203.245 1.621 40 0 BDABRO [NH3+]Cc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000022217487 384742679 /nfs/dbraw/zinc/74/26/79/384742679.db2.gz HQTJMCITRJQTAB-UHFFFAOYSA-N 1 0 248.326 1.537 40 0 BDABRO CN(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccc(N)cc1 ZINC000242548501 384757294 /nfs/dbraw/zinc/75/72/94/384757294.db2.gz LOROOKGTJUHXJH-QWHCGFSZSA-N 1 0 247.342 1.002 40 0 BDABRO C[C@H]1[NH2+]CC=CC[C@@H]1C(=O)N1CCCCC1 ZINC000019462286 384832510 /nfs/dbraw/zinc/83/25/10/384832510.db2.gz BPVZHDDIKNHAQP-NEPJUHHUSA-N 1 0 222.332 1.553 40 0 BDABRO C[C@@H]1[NH2+]CC=CC[C@H]1C(=O)N1CCCCC1 ZINC000019462288 384832723 /nfs/dbraw/zinc/83/27/23/384832723.db2.gz BPVZHDDIKNHAQP-NWDGAFQWSA-N 1 0 222.332 1.553 40 0 BDABRO COc1ccccc1C[C@H]1C[NH2+]CCO1 ZINC000083986644 384966410 /nfs/dbraw/zinc/96/64/10/384966410.db2.gz OCETYPNJHFHINV-NSHDSACASA-N 1 0 207.273 1.226 40 0 BDABRO Clc1ncc(CNC[C@H]2CCC[NH2+]C2)s1 ZINC000072203553 385054359 /nfs/dbraw/zinc/05/43/59/385054359.db2.gz UOEOFNWUBKKAJY-QMMMGPOBSA-N 1 0 245.779 1.886 40 0 BDABRO CN(c1ccnc(Cl)n1)[C@H]1CCC[NH2+]C1 ZINC000072203719 385058236 /nfs/dbraw/zinc/05/82/36/385058236.db2.gz HJDQKPQJWFDFOK-QMMMGPOBSA-N 1 0 226.711 1.318 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nocc1C(=O)N(C)C ZINC000072208413 385062087 /nfs/dbraw/zinc/06/20/87/385062087.db2.gz IEKALMLHVKLJBM-MRVPVSSYSA-N 1 0 211.265 1.032 40 0 BDABRO CCOC(=O)[C@H](N)[C@@](C)(CC)[NH+](CC)CC ZINC000072210570 385068042 /nfs/dbraw/zinc/06/80/42/385068042.db2.gz XYINXNDVJREPAP-CMPLNLGQSA-N 1 0 230.352 1.387 40 0 BDABRO CC(=O)N1CCCC[C@H]1c1ccc(N)nc1 ZINC000072212395 385076371 /nfs/dbraw/zinc/07/63/71/385076371.db2.gz VCUUFQAMGXXVLS-NSHDSACASA-N 1 0 219.288 1.737 40 0 BDABRO CCCNc1ncc(C[NH2+][C@H](CC)CO)cn1 ZINC000062717682 385040537 /nfs/dbraw/zinc/04/05/37/385040537.db2.gz DDHBRUSWVCFMJH-LLVKDONJSA-N 1 0 238.335 1.159 40 0 BDABRO c1cnc(N2CCOCC2)c([C@H]2CCC[NH2+]2)c1 ZINC000072216205 385094509 /nfs/dbraw/zinc/09/45/09/385094509.db2.gz GHRDRJWPDHAYNE-GFCCVEGCSA-N 1 0 233.315 1.343 40 0 BDABRO CCn1ccc([C@@H](O)C2(C[NH3+])CCC2)n1 ZINC000085396171 385160996 /nfs/dbraw/zinc/16/09/96/385160996.db2.gz HAFPIVSFRAJPQH-SNVBAGLBSA-N 1 0 209.293 1.065 40 0 BDABRO CCn1nc(C)cc1[C@@H](O)C1(C[NH3+])CCC1 ZINC000085395992 385161748 /nfs/dbraw/zinc/16/17/48/385161748.db2.gz VSEWQUFXCZRUTH-LLVKDONJSA-N 1 0 223.320 1.374 40 0 BDABRO CC(C)Cn1cccc([C@@H]2CCC[NH2+]2)c1=O ZINC000096510364 385248923 /nfs/dbraw/zinc/24/89/23/385248923.db2.gz JNQPYADPOGVZOQ-LBPRGKRZSA-N 1 0 220.316 1.929 40 0 BDABRO Cn1nccc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000096511451 385253068 /nfs/dbraw/zinc/25/30/68/385253068.db2.gz BWKFEIYTYQZCNM-UHFFFAOYSA-N 1 0 247.302 1.012 40 0 BDABRO [NH3+][C@@H]1CCN(Cc2cc(=O)oc3ccccc23)C1 ZINC000096517064 385255378 /nfs/dbraw/zinc/25/53/78/385255378.db2.gz RWPUKZFWDZZHCU-LLVKDONJSA-N 1 0 244.294 1.326 40 0 BDABRO [NH3+]CCn1cccc1-c1nc(C2CC2)no1 ZINC000096517059 385256088 /nfs/dbraw/zinc/25/60/88/385256088.db2.gz AHECNONTZCQRMH-UHFFFAOYSA-N 1 0 218.260 1.374 40 0 BDABRO Cn1c(=O)c2c(nc1-c1ccccc1)CC[NH2+]C2 ZINC000096516475 385259466 /nfs/dbraw/zinc/25/94/66/385259466.db2.gz CUQAOSVRTIPBCS-UHFFFAOYSA-N 1 0 241.294 1.093 40 0 BDABRO [NH3+][C@H]1CCN(c2cc3c(nn2)CCCCC3)C1 ZINC000096516143 385259512 /nfs/dbraw/zinc/25/95/12/385259512.db2.gz DPBVQDSRDQCVND-NSHDSACASA-N 1 0 232.331 1.283 40 0 BDABRO Cc1n[nH]c(C)c1CCCN1CCC[C@@H]([NH3+])C1 ZINC000096523540 385267895 /nfs/dbraw/zinc/26/78/95/385267895.db2.gz HBAVAFDSHYELPT-GFCCVEGCSA-N 1 0 236.363 1.382 40 0 BDABRO N[C@H](C[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000096523467 385268314 /nfs/dbraw/zinc/26/83/14/385268314.db2.gz GFVQRGJVAZDQEI-CHWSQXEVSA-N 1 0 220.316 1.143 40 0 BDABRO Cc1n[nH]c(C)c1CCCN1CCC[NH2+]CC1 ZINC000096523650 385268662 /nfs/dbraw/zinc/26/86/62/385268662.db2.gz OCCMJHCKWDPOGZ-UHFFFAOYSA-N 1 0 236.363 1.254 40 0 BDABRO [NH3+]C[C@@H]1CCCCN1Cc1cc(C2CC2)n[nH]1 ZINC000096523601 385269856 /nfs/dbraw/zinc/26/98/56/385269856.db2.gz XJFCNWYOOWCIBZ-LBPRGKRZSA-N 1 0 234.347 1.600 40 0 BDABRO C[NH2+]CCN1CCN(c2ccc(C)cc2C)CC1 ZINC000096523956 385271504 /nfs/dbraw/zinc/27/15/04/385271504.db2.gz GNJSGERRYLMOJM-UHFFFAOYSA-N 1 0 247.386 1.645 40 0 BDABRO CCC[C@H]([NH3+])CN(C)CCc1c(C)noc1C ZINC000096523975 385272102 /nfs/dbraw/zinc/27/21/02/385272102.db2.gz UFFPDDBJNKNAMW-LBPRGKRZSA-N 1 0 239.363 1.893 40 0 BDABRO CCS(=O)(=O)C[C@H]([NH3+])c1cccc(F)c1 ZINC000096524757 385273845 /nfs/dbraw/zinc/27/38/45/385273845.db2.gz QLTOHPFKDFQVNT-JTQLQIEISA-N 1 0 231.292 1.260 40 0 BDABRO CCS(=O)(=O)C[C@H]([NH3+])c1cccc(Cl)c1 ZINC000096524749 385275615 /nfs/dbraw/zinc/27/56/15/385275615.db2.gz NREUSOPWVMUFSO-JTQLQIEISA-N 1 0 247.747 1.775 40 0 BDABRO FC(F)(F)CN1CCOC2(CC[NH2+]CC2)C1 ZINC000096531592 385283007 /nfs/dbraw/zinc/28/30/07/385283007.db2.gz IYPMBVBEWOVNMY-UHFFFAOYSA-N 1 0 238.253 1.003 40 0 BDABRO C[NH2+][C@H]1CCc2c1cnn2C1CCOCC1 ZINC000095098090 385483935 /nfs/dbraw/zinc/48/39/35/385483935.db2.gz YZBYINKFFJAPIC-NSHDSACASA-N 1 0 221.304 1.441 40 0 BDABRO Cc1noc([C@H]2C[NH2+]C[C@@H]2c2ccncc2)n1 ZINC000328579661 385492480 /nfs/dbraw/zinc/49/24/80/385492480.db2.gz VHIZWNVFBADBKK-MNOVXSKESA-N 1 0 230.271 1.244 40 0 BDABRO CC1CCN([C@H](C[NH3+])C(F)(F)F)CC1 ZINC000037169432 385597949 /nfs/dbraw/zinc/59/79/49/385597949.db2.gz DTCJUNNHIRLILO-MRVPVSSYSA-N 1 0 210.243 1.608 40 0 BDABRO C[C@@H]([NH3+])c1ccc([C@H]2CCS(=O)(=O)C2)cc1 ZINC000075845452 385695515 /nfs/dbraw/zinc/69/55/15/385695515.db2.gz RIHIEWFRXAHDPL-SKDRFNHKSA-N 1 0 239.340 1.608 40 0 BDABRO COc1cccc([C@H]2C[C@]2(C[NH3+])CO)c1OC ZINC000062713538 385697782 /nfs/dbraw/zinc/69/77/82/385697782.db2.gz ZQDVKYSRTMLCHK-MFKMUULPSA-N 1 0 237.299 1.129 40 0 BDABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1cccc(Cl)c1 ZINC000062713568 385697943 /nfs/dbraw/zinc/69/79/43/385697943.db2.gz GEAFVCBBULHSCD-GHMZBOCLSA-N 1 0 211.692 1.765 40 0 BDABRO CCSc1ncc(C[NH2+]C[C@H](C)O)cn1 ZINC000062717334 385713880 /nfs/dbraw/zinc/71/38/80/385713880.db2.gz FEIZGRBAFPDTSF-QMMMGPOBSA-N 1 0 227.333 1.059 40 0 BDABRO [NH3+]Cc1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000020270366 385668691 /nfs/dbraw/zinc/66/86/91/385668691.db2.gz UORCYZBBWDHUJM-UHFFFAOYSA-N 1 0 232.239 1.572 40 0 BDABRO [NH3+]CCc1cc(-c2ccc(F)cc2)on1 ZINC000020270380 385670011 /nfs/dbraw/zinc/67/00/11/385670011.db2.gz MWIVOGIWOJFUSR-UHFFFAOYSA-N 1 0 206.220 1.982 40 0 BDABRO Cn1nccc1-c1nccnc1C1CC[NH2+]CC1 ZINC000257205499 385752595 /nfs/dbraw/zinc/75/25/95/385752595.db2.gz AZJFPYUWHHPDBJ-UHFFFAOYSA-N 1 0 243.314 1.344 40 0 BDABRO C[C@]1(C(N)=O)CCC[N@H+](Cc2ccncc2)C1 ZINC000257234343 385754717 /nfs/dbraw/zinc/75/47/17/385754717.db2.gz GTBSEOLHYMYDDR-ZDUSSCGKSA-N 1 0 233.315 1.169 40 0 BDABRO CCOCC[N@@H+]1CC[C@H](c2n[nH]cc2C)C1 ZINC000257237447 385756599 /nfs/dbraw/zinc/75/65/99/385756599.db2.gz HGMPXACIERJKDQ-NSHDSACASA-N 1 0 223.320 1.544 40 0 BDABRO c1coc(-c2cnc([C@@H]3CCC[NH2+]C3)cn2)n1 ZINC000257266759 385759430 /nfs/dbraw/zinc/75/94/30/385759430.db2.gz MEJUTTVVOHNLCD-SECBINFHSA-N 1 0 230.271 1.599 40 0 BDABRO CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1 ZINC000257303644 385761235 /nfs/dbraw/zinc/76/12/35/385761235.db2.gz SIAZKJVDSIKGPO-CYBMUJFWSA-N 1 0 247.342 1.940 40 0 BDABRO CC(C)[C@@H]1C[C@@]2(C)[C@H](CCCCc3nnnn32)[NH2+]1 ZINC000218904127 385910788 /nfs/dbraw/zinc/91/07/88/385910788.db2.gz ZZCRQAMIPOMQKI-GVXVVHGQSA-N 1 0 249.362 1.501 40 0 BDABRO Cc1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC000096260695 385917585 /nfs/dbraw/zinc/91/75/85/385917585.db2.gz RSFMDSFEFHENRL-UHFFFAOYSA-N 1 0 216.288 1.505 40 0 BDABRO COC(=O)c1ccc2c(c1)[C@@]1(CC[NH2+]1)CO2 ZINC000306145963 385994661 /nfs/dbraw/zinc/99/46/61/385994661.db2.gz XIOBTLHCGXLMBP-GFCCVEGCSA-N 1 0 219.240 1.054 40 0 BDABRO O=C1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cccc(F)c1 ZINC000306143463 385990931 /nfs/dbraw/zinc/99/09/31/385990931.db2.gz YCURCMPDXAEFOD-ZYHUDNBSSA-N 1 0 234.274 1.004 40 0 BDABRO C[C@@H]1[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC000261508760 386028945 /nfs/dbraw/zinc/02/89/45/386028945.db2.gz WQOAVSYOMGNWAT-GUBZILKMSA-N 1 0 226.320 1.604 40 0 BDABRO [NH3+]CCCc1csc(-c2ncccn2)n1 ZINC000218330454 386036196 /nfs/dbraw/zinc/03/61/96/386036196.db2.gz MXTMMCKCPIAZFS-UHFFFAOYSA-N 1 0 220.301 1.491 40 0 BDABRO CSc1ccc(C2=NO[C@H](C[NH3+])C2)cc1 ZINC000222549961 386052369 /nfs/dbraw/zinc/05/23/69/386052369.db2.gz YONZMYDRVVTDEC-VIFPVBQESA-N 1 0 222.313 1.860 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nc2ccccc2n1CCO ZINC000037900706 386102405 /nfs/dbraw/zinc/10/24/05/386102405.db2.gz SFWGKDRDTHHZGC-GFCCVEGCSA-N 1 0 233.315 1.684 40 0 BDABRO N[C@H](C[NH3+])c1ccccc1Br ZINC000034155392 386072550 /nfs/dbraw/zinc/07/25/50/386072550.db2.gz PAMGDOWWTHYUTI-MRVPVSSYSA-N 1 0 215.094 1.408 40 0 BDABRO C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000038121291 386124817 /nfs/dbraw/zinc/12/48/17/386124817.db2.gz VCPBQYAPSYZGLN-VIFPVBQESA-N 1 0 219.206 1.958 40 0 BDABRO CCc1ccc(C[NH2+]CCOC)n1CC ZINC000226019700 386231761 /nfs/dbraw/zinc/23/17/61/386231761.db2.gz MQRIGXOKHXVKJG-UHFFFAOYSA-N 1 0 210.321 1.806 40 0 BDABRO Cc1c(C[NH3+])nnn1-c1ccccc1F ZINC000062237442 386508062 /nfs/dbraw/zinc/50/80/62/386508062.db2.gz JXGHFDYNOLVGGJ-UHFFFAOYSA-N 1 0 206.224 1.174 40 0 BDABRO [NH3+]Cc1ccc(N2CCCCC2=O)nc1 ZINC000098214005 386582981 /nfs/dbraw/zinc/58/29/81/386582981.db2.gz QWAMVEGIKPIFCS-UHFFFAOYSA-N 1 0 205.261 1.057 40 0 BDABRO CO[C@@H]1Cn2nccc2CN(Cc2ccco2)C1 ZINC000247830423 386735464 /nfs/dbraw/zinc/73/54/64/386735464.db2.gz HLHPYJGJBGTTLB-ZDUSSCGKSA-N 1 0 247.298 1.507 40 0 BDABRO COC(=O)[C@@H](C[NH3+])Cc1ccc(Cl)cc1 ZINC000095097691 386983092 /nfs/dbraw/zinc/98/30/92/386983092.db2.gz DUZFSXMZMLULFP-SECBINFHSA-N 1 0 227.691 1.630 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(F)cc1 ZINC000011958385 387004617 /nfs/dbraw/zinc/00/46/17/387004617.db2.gz PAPWYTFAEIVJJH-NSHDSACASA-N 1 0 224.279 1.425 40 0 BDABRO Cc1noc(C)c1CN1C[C@]2(CC[NH2+]C2)CC1=O ZINC000096077603 387016928 /nfs/dbraw/zinc/01/69/28/387016928.db2.gz SAJOWCGDAPLQGJ-CYBMUJFWSA-N 1 0 249.314 1.003 40 0 BDABRO [NH3+]CCc1nc([C@H]2CCCSCC2)no1 ZINC000575415005 387022938 /nfs/dbraw/zinc/02/29/38/387022938.db2.gz FVLWWTLZKYNKLL-QMMMGPOBSA-N 1 0 227.333 1.572 40 0 BDABRO [NH3+]CCc1nc([C@@H]2CCCSCC2)no1 ZINC000575415004 387023767 /nfs/dbraw/zinc/02/37/67/387023767.db2.gz FVLWWTLZKYNKLL-MRVPVSSYSA-N 1 0 227.333 1.572 40 0 BDABRO O=C1C[C@@]2(CC[NH2+]C2)CN1c1ccc(F)cc1 ZINC000096238730 387024124 /nfs/dbraw/zinc/02/41/24/387024124.db2.gz SCKCIDDVRNYOAP-CYBMUJFWSA-N 1 0 234.274 1.542 40 0 BDABRO C[NH+]1CCC(COc2ccccc2N)CC1 ZINC000067800843 387854771 /nfs/dbraw/zinc/85/47/71/387854771.db2.gz XMKAYJYRKAZECY-UHFFFAOYSA-N 1 0 220.316 1.989 40 0 BDABRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000067800920 387854822 /nfs/dbraw/zinc/85/48/22/387854822.db2.gz GOLIFRGHZSFNBN-NSHDSACASA-N 1 0 240.347 1.995 40 0 BDABRO O=C1Nc2ccccc2CN1[C@H]1CC[NH2+]C1 ZINC000083351176 387855784 /nfs/dbraw/zinc/85/57/84/387855784.db2.gz OXQFZCAVWSDPON-JTQLQIEISA-N 1 0 217.272 1.396 40 0 BDABRO CCCn1nccc1C[NH2+]CCCCO ZINC000233406593 387856637 /nfs/dbraw/zinc/85/66/37/387856637.db2.gz BCDZAKFQNDHEDC-UHFFFAOYSA-N 1 0 211.309 1.155 40 0 BDABRO CN[C@@H](C[NH3+])c1ccccc1Br ZINC000050269918 387954130 /nfs/dbraw/zinc/95/41/30/387954130.db2.gz GPFZOTUSZMDDIF-VIFPVBQESA-N 1 0 229.121 1.668 40 0 BDABRO COc1ccc([C@H]2CN(C)C[C@@H]2[NH3+])cc1OC ZINC000216411824 388355537 /nfs/dbraw/zinc/35/55/37/388355537.db2.gz IKTSEWAJPWGXLC-MNOVXSKESA-N 1 0 236.315 1.060 40 0 BDABRO C[C@@H]1[NH2+]CCC[C@H]1N(C)C(=O)OC(C)(C)C ZINC000217677983 388379480 /nfs/dbraw/zinc/37/94/80/388379480.db2.gz NWFQIKRLZPHXDX-VHSXEESVSA-N 1 0 228.336 1.994 40 0 BDABRO CCCC[C@@H]1C[C@@H](OCCOC)C[NH2+]1 ZINC000217864141 388382646 /nfs/dbraw/zinc/38/26/46/388382646.db2.gz VXEYEVIROCLAAV-GHMZBOCLSA-N 1 0 201.310 1.570 40 0 BDABRO [NH3+][C@@H]1COC[C@H]1Nc1ccc(Cl)cc1 ZINC000218678174 388391413 /nfs/dbraw/zinc/39/14/13/388391413.db2.gz NCKCBWMEFGIHAU-NXEZZACHSA-N 1 0 212.680 1.478 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1cccc(OC)c1 ZINC000242548486 388399355 /nfs/dbraw/zinc/39/93/55/388399355.db2.gz LNISMTZZVFQDHO-STQMWFEESA-N 1 0 249.310 1.513 40 0 BDABRO [NH3+]CCc1cnc(-c2cccnc2)s1 ZINC000057493235 388626795 /nfs/dbraw/zinc/62/67/95/388626795.db2.gz RBVVQTOTKUKBEC-UHFFFAOYSA-N 1 0 205.286 1.706 40 0 BDABRO O=C1N(Cc2ccccn2)CCC12CC[NH2+]CC2 ZINC000259328915 388628581 /nfs/dbraw/zinc/62/85/81/388628581.db2.gz WZZHTFCWFVATQD-UHFFFAOYSA-N 1 0 245.326 1.184 40 0 BDABRO Cc1ccncc1[C@H](C)O[C@@H]1CC[NH2+]C1 ZINC000252478586 388652388 /nfs/dbraw/zinc/65/23/88/388652388.db2.gz APXUOFVCOGKFOI-WDEREUQCSA-N 1 0 206.289 1.830 40 0 BDABRO CCCNc1ncc(C[NH2+]C(C)C)cn1 ZINC000062717709 388656179 /nfs/dbraw/zinc/65/61/79/388656179.db2.gz LWJSNWCBCFJMNL-UHFFFAOYSA-N 1 0 208.309 1.797 40 0 BDABRO c1coc(CN2CC[NH2+][C@H]3CCCC[C@@H]32)c1 ZINC000225711659 388841079 /nfs/dbraw/zinc/84/10/79/388841079.db2.gz IEYUBRTWVMCPLT-STQMWFEESA-N 1 0 220.316 1.996 40 0 BDABRO CCCCOc1cc2ncc(C[NH3+])c(C)n2n1 ZINC000225725731 388842748 /nfs/dbraw/zinc/84/27/48/388842748.db2.gz PQYZIXUJZSZHTF-UHFFFAOYSA-N 1 0 234.303 1.675 40 0 BDABRO Cc1cc(-c2cncc([C@@H]3CCC[NH2+]3)n2)n[nH]1 ZINC000257236064 177688535 /nfs/dbraw/zinc/68/85/35/177688535.db2.gz HAQIGBNJBWTGGM-VIFPVBQESA-N 1 0 229.287 1.600 40 0 BDABRO c1ccn(-c2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC000328579606 132243973 /nfs/dbraw/zinc/24/39/73/132243973.db2.gz QTCYCFAEFFZJSB-UHFFFAOYSA-N 1 0 228.299 1.282 40 0 BDABRO C[C@@H]([NH3+])c1cccc(N2CCOCC2)c1 ZINC000012357004 132320972 /nfs/dbraw/zinc/32/09/72/132320972.db2.gz HUBJUNYFFJVKPC-SNVBAGLBSA-N 1 0 206.289 1.543 40 0 BDABRO Cc1ccc(-c2ccc(N3CC[NH2+]CC3)nn2)o1 ZINC000071976793 132395276 /nfs/dbraw/zinc/39/52/76/132395276.db2.gz CECAGRRJMXRYFT-UHFFFAOYSA-N 1 0 244.298 1.455 40 0 BDABRO CSc1nccc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000072203138 132396258 /nfs/dbraw/zinc/39/62/58/132396258.db2.gz TYDVDJYWMAXTNL-MRVPVSSYSA-N 1 0 224.333 1.126 40 0 BDABRO COC(=O)N1C[C@H]2C[NH2+]C[C@@H]2c2ccccc21 ZINC000096062779 132430512 /nfs/dbraw/zinc/43/05/12/132430512.db2.gz SYNFCBFFVNGUCJ-KOLCDFICSA-N 1 0 232.283 1.576 40 0 BDABRO CC(=O)N1C[C@@H]2C[NH2+]C[C@H]2c2ccccc21 ZINC000096251750 132432217 /nfs/dbraw/zinc/43/22/17/132432217.db2.gz BFZXDYOVNCPLPS-CMPLNLGQSA-N 1 0 216.284 1.356 40 0 BDABRO CCS(=O)(=O)C[C@H]([NH3+])c1ccc(F)cc1 ZINC000075417156 397898147 /nfs/dbraw/zinc/89/81/47/397898147.db2.gz QDUPEQZBZGZJQZ-JTQLQIEISA-N 1 0 231.292 1.260 40 0 BDABRO CCOC(=O)[C@H](N)[C@](C)(CC)[NH+]1CCCCC1 ZINC000072210581 322906378 /nfs/dbraw/zinc/90/63/78/322906378.db2.gz ZHXJDVYDYSMPDL-AAEUAGOBSA-N 1 0 242.363 1.531 40 0 BDABRO CC(C)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000072220983 167319568 /nfs/dbraw/zinc/31/95/68/167319568.db2.gz YUJMSYNGTGYQBB-UHFFFAOYSA-N 1 0 213.302 1.327 40 0 BDABRO CC(C)N1Cc2cncn2[C@H](C[NH+](C)C)C1 ZINC000248125739 167034815 /nfs/dbraw/zinc/03/48/15/167034815.db2.gz ONKJSZPMQAYKCX-GFCCVEGCSA-N 1 0 222.336 1.210 40 0 BDABRO CC(C)[N@@H+]1C[C@H]2Cc3nc(N(C)C)ncc3[C@H]2C1 ZINC000306125607 167035636 /nfs/dbraw/zinc/03/56/36/167035636.db2.gz CVLLHMFDFRGLRS-PWSUYJOCSA-N 1 0 246.358 1.523 40 0 BDABRO CC(C)[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001710323 167106122 /nfs/dbraw/zinc/10/61/22/167106122.db2.gz LFJRJUCWJXFSCJ-UHFFFAOYSA-N 1 0 222.288 1.424 40 0 BDABRO CC[NH+](CC)C[C@@H]1CN(C)Cc2ccnn21 ZINC000248080031 169787305 /nfs/dbraw/zinc/78/73/05/169787305.db2.gz AHBWNXAWONMLCO-LBPRGKRZSA-N 1 0 222.336 1.211 40 0 BDABRO COC(=O)[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000044135923 411298646 /nfs/dbraw/zinc/29/86/46/411298646.db2.gz RZEZOADMYHLFJC-NEPJUHHUSA-N 1 0 237.274 1.692 40 0 BDABRO CC1CCN(C(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000020597435 168172025 /nfs/dbraw/zinc/17/20/25/168172025.db2.gz YLINLOYPXHSUJG-LBPRGKRZSA-N 1 0 224.348 1.777 40 0 BDABRO CCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000016681690 170073116 /nfs/dbraw/zinc/07/31/16/170073116.db2.gz ZECHNUUXBGWDNU-UHFFFAOYSA-N 1 0 239.363 1.666 40 0 BDABRO CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1 ZINC000257291219 170100732 /nfs/dbraw/zinc/10/07/32/170100732.db2.gz QGDROGIHXCFWDY-LBPRGKRZSA-N 1 0 233.315 1.598 40 0 BDABRO CCOC(=O)C1[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000026897538 170193418 /nfs/dbraw/zinc/19/34/18/170193418.db2.gz YUKFHBYDDJRSIY-PBWFPOADSA-N 1 0 245.322 1.928 40 0 BDABRO CCOCCC[NH2+]Cc1c(C)cnn1CC ZINC000256051496 170380894 /nfs/dbraw/zinc/38/08/94/170380894.db2.gz JJSPNHFKYVIRCB-UHFFFAOYSA-N 1 0 225.336 1.728 40 0 BDABRO CCOCCC[NH2+]Cc1cnn(CC)c1F ZINC000256049669 170381385 /nfs/dbraw/zinc/38/13/85/170381385.db2.gz AWRCCPJBVQYRQH-UHFFFAOYSA-N 1 0 229.299 1.558 40 0 BDABRO C[C@@H]1C[C@H]2C=CC=C[C@H]2[N@@H+]1Cc1cc(N)nn1C ZINC000408716627 411915328 /nfs/dbraw/zinc/91/53/28/411915328.db2.gz OZGNYYJORXTVMQ-NQBHXWOUSA-N 1 0 244.342 1.707 40 0 BDABRO CC[C@H](C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000019434718 171327145 /nfs/dbraw/zinc/32/71/45/171327145.db2.gz YIKLYLZBWHRKCS-JQWIXIFHSA-N 1 0 220.316 1.991 40 0 BDABRO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H]2CO2)C1 ZINC000096510523 172029558 /nfs/dbraw/zinc/02/95/58/172029558.db2.gz LBACWQHVIOANBO-VXGBXAGGSA-N 1 0 235.331 1.481 40 0 BDABRO CCn1ncc(-c2cc(C[NH2+]C)no2)c1C ZINC000026545471 172251228 /nfs/dbraw/zinc/25/12/28/172251228.db2.gz RADLVTWRXBLXEU-UHFFFAOYSA-N 1 0 220.276 1.586 40 0 BDABRO CN(C)C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC000096268941 172378809 /nfs/dbraw/zinc/37/88/09/172378809.db2.gz NQDZNLSAVLJURM-QWHCGFSZSA-N 1 0 245.326 1.239 40 0 BDABRO C[NH+]1CCC(c2[nH]nc3ncccc32)CC1 ZINC000072381198 173001742 /nfs/dbraw/zinc/00/17/42/173001742.db2.gz YXWOBUJGQGHXIW-UHFFFAOYSA-N 1 0 216.288 1.767 40 0 BDABRO Cn1nc([C@@H]2CCC[N@H+](C)C2)c2nccnc21 ZINC000072370019 173023297 /nfs/dbraw/zinc/02/32/97/173023297.db2.gz WRGQFIMYCVFSQY-SECBINFHSA-N 1 0 231.303 1.173 40 0 BDABRO CN1CCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC000096511172 173033808 /nfs/dbraw/zinc/03/38/08/173033808.db2.gz YBKZMBOJZAMGAS-GFCCVEGCSA-N 1 0 205.305 1.265 40 0 BDABRO C[N@@H+]1CCC[C@H](C(=O)NCc2ccco2)C1 ZINC000082304939 173038866 /nfs/dbraw/zinc/03/88/66/173038866.db2.gz SDHAVIFGVAPSSO-JTQLQIEISA-N 1 0 222.288 1.238 40 0 BDABRO CN(C)[C@@H]1CC[N@H+](C)[C@H]1Cc1ccccc1 ZINC000096261357 173117280 /nfs/dbraw/zinc/11/72/80/173117280.db2.gz WZXWDWMJBVAHKG-KGLIPLIRSA-N 1 0 218.344 1.863 40 0 BDABRO CN1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]12 ZINC000096251808 173140598 /nfs/dbraw/zinc/14/05/98/173140598.db2.gz HMPCVUFHIWQIKI-UONOGXRCSA-N 1 0 216.328 1.622 40 0 BDABRO CN1C[C@@H]([NH3+])[C@@H](c2ccccc2Cl)C1 ZINC000082373825 173183415 /nfs/dbraw/zinc/18/34/15/173183415.db2.gz HHFMGYILVGZFJM-MWLCHTKSSA-N 1 0 210.708 1.696 40 0 BDABRO CN1C[C@@H]([NH3+])[C@@H](c2ccc(Cl)cc2)C1 ZINC000082952757 173183750 /nfs/dbraw/zinc/18/37/50/173183750.db2.gz LUHOAPONKQKMFS-GHMZBOCLSA-N 1 0 210.708 1.696 40 0 BDABRO CNC(=O)C[N@@H+]1CC[C@@]2(C)C[C@H](OC)CC[C@@H]12 ZINC000257216099 173274746 /nfs/dbraw/zinc/27/47/46/173274746.db2.gz CTCBOUBQQVJTID-WZRBSPASSA-N 1 0 240.347 1.012 40 0 BDABRO C[NH2+]CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000040414480 173330912 /nfs/dbraw/zinc/33/09/12/173330912.db2.gz JRMFLEJTLGRYIT-NSHDSACASA-N 1 0 220.316 1.343 40 0 BDABRO C[NH2+]CCN1CCc2cc(C(C)(C)O)ccc2C1 ZINC000038539994 173354227 /nfs/dbraw/zinc/35/42/27/173354227.db2.gz QAFDVYZZMNIOLS-UHFFFAOYSA-N 1 0 248.370 1.492 40 0 BDABRO C[NH2+][C@@H](C)C(=O)c1cccc2c1OCO2 ZINC000095215371 173414319 /nfs/dbraw/zinc/41/43/19/173414319.db2.gz QZMXFYXIDZEAQA-ZETCQYMHSA-N 1 0 207.229 1.206 40 0 in-vitro BDABRO COCCO[C@H]1C[NH2+][C@H](CC(C)C)C1 ZINC000217864971 174366668 /nfs/dbraw/zinc/36/66/68/174366668.db2.gz JGNBTESGAWQZKP-GHMZBOCLSA-N 1 0 201.310 1.426 40 0 BDABRO COCCOc1c(F)cc(C[NH3+])cc1F ZINC000086894504 174366732 /nfs/dbraw/zinc/36/67/32/174366732.db2.gz IGVARLNMBGHDGH-UHFFFAOYSA-N 1 0 217.215 1.449 40 0 BDABRO COc1cc(C)ccc1NC(=O)C1CC[NH2+]CC1 ZINC000037769363 174968510 /nfs/dbraw/zinc/96/85/10/174968510.db2.gz KOLBCBDACVMQEZ-UHFFFAOYSA-N 1 0 248.326 1.942 40 0 BDABRO COc1cc(OC)c(C[NH3+])cc1Br ZINC000083158570 175006967 /nfs/dbraw/zinc/00/69/67/175006967.db2.gz NPGUBLJDXVPKDN-UHFFFAOYSA-N 1 0 246.104 1.925 40 0 BDABRO COc1ccc(Br)cc1[C@@H](N)C[NH3+] ZINC000035676945 175051464 /nfs/dbraw/zinc/05/14/64/175051464.db2.gz ATBIEYPQQNXRMC-QMMMGPOBSA-N 1 0 245.120 1.416 40 0 BDABRO COc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000054370288 175057312 /nfs/dbraw/zinc/05/73/12/175057312.db2.gz DWEBWKFKBHWWQM-SNVBAGLBSA-N 1 0 234.299 1.129 40 0 BDABRO COc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000038538911 175102918 /nfs/dbraw/zinc/10/29/18/175102918.db2.gz BTRUBANQYGVSJZ-JTQLQIEISA-N 1 0 241.718 1.915 40 0 BDABRO COc1ccc([C@@H](C[NH3+])OC)cc1OC ZINC000033505806 175178371 /nfs/dbraw/zinc/17/83/71/175178371.db2.gz CFEHWNSMGUKJEU-LLVKDONJSA-N 1 0 211.261 1.350 40 0 BDABRO COc1cccc(CNC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000037680437 175262215 /nfs/dbraw/zinc/26/22/15/175262215.db2.gz FWLBHJKJNGVJEA-LBPRGKRZSA-N 1 0 236.315 1.295 40 0 BDABRO COc1cccc([C@]2(C)C[NH2+]CCO2)c1 ZINC000096526561 175297515 /nfs/dbraw/zinc/29/75/15/175297515.db2.gz WDMYNACHTAJTPT-LBPRGKRZSA-N 1 0 207.273 1.530 40 0 BDABRO COc1ccccc1C(=O)N1CCC([NH3+])CC1 ZINC000020267666 175317028 /nfs/dbraw/zinc/31/70/28/175317028.db2.gz KKXIGYYCUBPXIA-UHFFFAOYSA-N 1 0 234.299 1.259 40 0 BDABRO COc1ccccc1C1(N)CC[NH2+]CC1 ZINC000096029463 175320292 /nfs/dbraw/zinc/32/02/92/175320292.db2.gz VNTCCDDMRDTJLB-UHFFFAOYSA-N 1 0 206.289 1.233 40 0 BDABRO COc1ccccc1C[NH2+]Cc1cnn(C)c1 ZINC000020074973 175330694 /nfs/dbraw/zinc/33/06/94/175330694.db2.gz RCSPYGOAMDTQQR-UHFFFAOYSA-N 1 0 231.299 1.719 40 0 BDABRO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)CCO ZINC000016030045 176011274 /nfs/dbraw/zinc/01/12/74/176011274.db2.gz DZUDAROQGILUTD-CMPLNLGQSA-N 1 0 209.289 1.033 40 0 in-vitro BDABRO C[C@@H](c1cnccn1)N1CCC[C@H](C[NH3+])C1 ZINC000070026275 176037464 /nfs/dbraw/zinc/03/74/64/176037464.db2.gz HIOUSJAYXATCKX-WDEREUQCSA-N 1 0 220.320 1.208 40 0 BDABRO C[C@@H](c1nccs1)N1CCC[C@@H](CO)C1 ZINC000100191384 176039278 /nfs/dbraw/zinc/03/92/78/176039278.db2.gz VLGMOLAFUBVKKH-VHSXEESVSA-N 1 0 226.345 1.908 40 0 BDABRO C[C@@H]1CN(C(=O)c2ccccc2Cl)CC[NH2+]1 ZINC000062619102 176262658 /nfs/dbraw/zinc/26/26/58/176262658.db2.gz DBBOYXSBMQZVHV-SECBINFHSA-N 1 0 238.718 1.774 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(F)c1 ZINC000054370375 176326954 /nfs/dbraw/zinc/32/69/54/176326954.db2.gz UKGMMXAUFFYOBO-SECBINFHSA-N 1 0 222.263 1.260 40 0 BDABRO C[C@@H]1C[NH2+]CCN1Cc1ccc2c(c1)OCO2 ZINC000041263075 176327140 /nfs/dbraw/zinc/32/71/40/176327140.db2.gz JPIRNFSXDKTULB-SNVBAGLBSA-N 1 0 234.299 1.209 40 0 BDABRO C[C@H](C[NH3+])Oc1ccc(C(F)(F)F)cn1 ZINC000095094791 176661802 /nfs/dbraw/zinc/66/18/02/176661802.db2.gz LNUWUIOZDMRKSS-ZCFIWIBFSA-N 1 0 220.194 1.826 40 0 BDABRO C[C@H](C[NH3+])[C@H]1c2ccccc2N(C)C1=O ZINC000100269669 176663062 /nfs/dbraw/zinc/66/30/62/176663062.db2.gz IPQHZOJSZRPBRA-KCJUWKMLSA-N 1 0 204.273 1.341 40 0 BDABRO C[C@H](c1nccs1)N1CC[NH2+][C@@H](C)C1 ZINC000100423102 177276742 /nfs/dbraw/zinc/27/67/42/177276742.db2.gz KFZHVOFFFZHVDL-DTWKUNHWSA-N 1 0 211.334 1.498 40 0 BDABRO C[C@H]1C[C@@H]2CC[N@H+](CC3CCOCC3)C[C@H]2O1 ZINC000096062545 177352848 /nfs/dbraw/zinc/35/28/48/177352848.db2.gz SNHRWDYVVVTPKP-FPMFFAJLSA-N 1 0 239.359 1.912 40 0 BDABRO C[C@@H]1C[NH2+][C@@H](C)C[C@]1(O)c1ccccc1 ZINC000072434040 177386870 /nfs/dbraw/zinc/38/68/70/177386870.db2.gz QBPQEQQKSQOQBI-NTZNESFSSA-N 1 0 205.301 1.892 40 0 BDABRO C[C@H]1C[C@H]2C[N@@H+](C3CCOCC3)CC[C@@H]2O1 ZINC000096070526 177387124 /nfs/dbraw/zinc/38/71/24/177387124.db2.gz AYMDVFVJNDVDLW-GVXVVHGQSA-N 1 0 225.332 1.665 40 0 BDABRO Clc1ccccc1CN[C@H]1CC[NH2+]C1 ZINC000072202839 487994253 /nfs/dbraw/zinc/99/42/53/487994253.db2.gz WQUXRRLSOUZDQR-JTQLQIEISA-N 1 0 210.708 1.792 40 0 BDABRO Clc1cnc(N[C@@H]2CCC[NH2+]C2)nc1 ZINC000072202992 487996163 /nfs/dbraw/zinc/99/61/63/487996163.db2.gz XLMBRFUUUMUICY-MRVPVSSYSA-N 1 0 212.684 1.294 40 0 BDABRO COc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1C ZINC000038539692 490186563 /nfs/dbraw/zinc/18/65/63/490186563.db2.gz INHCQUCRPMSGEX-CYBMUJFWSA-N 1 0 234.343 1.927 40 0 BDABRO Cc1noc([C@H]2C[NH2+]C[C@H]2c2ccccn2)n1 ZINC000328579441 491069032 /nfs/dbraw/zinc/06/90/32/491069032.db2.gz IPRQZQBGJKNSAC-ZJUUUORDSA-N 1 0 230.271 1.244 40 0 BDABRO CCn1cc(Br)c(CC[NH3+])n1 ZINC000225770915 523309055 /nfs/dbraw/zinc/30/90/55/523309055.db2.gz NVNUIMPHCIDJTF-UHFFFAOYSA-N 1 0 218.098 1.167 40 0 BDABRO CCn1cc(C[NH2+]Cc2ccnn2CC)c(C)n1 ZINC000020349906 523383331 /nfs/dbraw/zinc/38/33/31/523383331.db2.gz LXZSGLWSHWYHGJ-UHFFFAOYSA-N 1 0 247.346 1.718 40 0 BDABRO Cc1ccc(Cc2cn(C)c(N)[nH+]2)cc1 ZINC000199550965 524692854 /nfs/dbraw/zinc/69/28/54/524692854.db2.gz KEMZWLRUIFKBMX-UHFFFAOYSA-N 1 0 201.273 1.902 40 0 BDABRO C[C@@H]1[C@H]([NH3+])C(=O)N1c1cccc2ccccc21 ZINC000225776863 525700291 /nfs/dbraw/zinc/70/02/91/525700291.db2.gz WMWHRXOHXCNIMQ-RNCFNFMXSA-N 1 0 226.279 1.902 40 0 BDABRO c1ncc(N2CC[C@@]3(C[C@H]4CC[N@@H+]3C4)C2)cn1 ZINC000003937373 526613152 /nfs/dbraw/zinc/61/31/52/526613152.db2.gz BXEURBYMVKGZGC-DGCLKSJQSA-N 1 0 230.315 1.151 40 0 BDABRO NC(=[NH2+])CS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000228948347 526816898 /nfs/dbraw/zinc/81/68/98/526816898.db2.gz HXOIVAVRNMXZAN-UHFFFAOYSA-N 1 0 246.719 1.191 40 0 BDABRO CNc1cc(NCCCOC(C)C)nc(C)[nH+]1 ZINC000383552479 642334063 /nfs/dbraw/zinc/33/40/63/642334063.db2.gz PHROELWFQGPFBC-UHFFFAOYSA-N 1 0 238.335 2.054 40 0 BDABRO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC000002547052 968489914 /nfs/dbraw/zinc/48/99/14/968489914.db2.gz IMGPTJPNIMPQCR-STQMWFEESA-N 1 0 249.310 1.306 40 0 BDABRO CC(C)(C)OC(=O)N1CSCC1C[NH3+] ZINC001560407443 983935897 /nfs/dbraw/zinc/93/58/97/983935897.db2.gz AHKRNLVEIAYDHP-UHFFFAOYSA-N 1 0 217.314 1.418 40 0 BDABRO Cc1cc(C[NH2+]Cc2cnn(C)c2)c(C)o1 ZINC000085396044 178026328 /nfs/dbraw/zinc/02/63/28/178026328.db2.gz ANDXZUQQUNDMRB-UHFFFAOYSA-N 1 0 219.288 1.920 40 0 BDABRO Cc1cc(C[NH2+]Cc2cn[nH]c2)c(C)o1 ZINC000085396233 178027469 /nfs/dbraw/zinc/02/74/69/178027469.db2.gz XQPQKZJKRICMOS-UHFFFAOYSA-N 1 0 205.261 1.909 40 0 BDABRO OC[C@@H](c1ccccc1F)N1CCOCC1 ZINC000070452929 259313473 /nfs/dbraw/zinc/31/34/73/259313473.db2.gz AKWOYAPQBPNVLI-LBPRGKRZSA-N 1 0 225.263 1.191 40 0 BDABRO COc1cccc([C@H](CO)[NH+](C)C)c1OC ZINC000070453271 259313900 /nfs/dbraw/zinc/31/39/00/259313900.db2.gz ZNDPEDUPOZHMTK-JTQLQIEISA-N 1 0 225.288 1.299 40 0 BDABRO CNC(=O)C[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000072208283 259315517 /nfs/dbraw/zinc/31/55/17/259315517.db2.gz FPKGPEIWGVFPBT-GXSJLCMTSA-N 1 0 206.289 1.254 40 0 BDABRO CNC(=O)C[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000072208284 259315538 /nfs/dbraw/zinc/31/55/38/259315538.db2.gz FPKGPEIWGVFPBT-MWLCHTKSSA-N 1 0 206.289 1.254 40 0 BDABRO Cc1ccc(CCN2CC(=O)[O+]=N2)cc1 ZINC000001698531 342709982 /nfs/dbraw/zinc/70/99/82/342709982.db2.gz OIZVDHNQORSOPP-UHFFFAOYSA-O 1 0 205.237 1.219 40 0 BDABRO CC[NH+](CC)CCSc1cc(=O)[nH]cn1 ZINC000005398180 342763362 /nfs/dbraw/zinc/76/33/62/342763362.db2.gz JUJBYLAJRXQCEO-UHFFFAOYSA-N 1 0 227.333 1.204 40 0 BDABRO O=C1CCC[C@H]2[C@@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000008681774 342801968 /nfs/dbraw/zinc/80/19/68/342801968.db2.gz ZSBXGIUJOOQZMP-ABHRYQDASA-N 1 0 248.370 1.872 40 0 biogenic BDABRO CCc1cc([C@@H]2CCCN2CC[NH3+])on1 ZINC000022763132 342805865 /nfs/dbraw/zinc/80/58/65/342805865.db2.gz ANCHKLVGXVQXHU-JTQLQIEISA-N 1 0 209.293 1.333 40 0 BDABRO CC(C)[NH2+][C@H](C)C(=O)c1ccc2c(c1)OCO2 ZINC000219443787 342870521 /nfs/dbraw/zinc/87/05/21/342870521.db2.gz ZGELXFOIEWJEFM-SECBINFHSA-N 1 0 235.283 1.985 40 0 in-vitro BDABRO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]CC[C@H]1F ZINC000219626494 342881182 /nfs/dbraw/zinc/88/11/82/342881182.db2.gz KMTQQQXYBFJDEP-RKDXNWHRSA-N 1 0 232.299 1.601 40 0 BDABRO CCOc1ccc([C@H]2CN(C)C[C@@H]2[NH3+])cc1 ZINC000217662425 398322471 /nfs/dbraw/zinc/32/24/71/398322471.db2.gz GQILZPOUUGGDAF-OLZOCXBDSA-N 1 0 220.316 1.442 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1cccc(F)c1 ZINC000217668204 398322556 /nfs/dbraw/zinc/32/25/56/398322556.db2.gz RECSJVDZPUFSAZ-VXGBXAGGSA-N 1 0 237.274 1.644 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccc(F)cc1 ZINC000217668489 398322751 /nfs/dbraw/zinc/32/27/51/398322751.db2.gz AAMDSQYMUNGGNR-NEPJUHHUSA-N 1 0 237.274 1.644 40 0 BDABRO CS(=O)(=O)[C@H]1[C@@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000218421006 398327535 /nfs/dbraw/zinc/32/75/35/398327535.db2.gz UGVPEMRDHWBYLJ-LPEHRKFASA-N 1 0 245.731 1.178 40 0 BDABRO CC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004028830 398327984 /nfs/dbraw/zinc/32/79/84/398327984.db2.gz WRCNAOJPCHQUCI-NWDGAFQWSA-N 1 0 211.305 1.814 40 0 biogenic BDABRO [NH3+][C@H]1CCCC[C@H]1NCc1ccc2c(c1)OCO2 ZINC000218855083 398328826 /nfs/dbraw/zinc/32/88/26/398328826.db2.gz BVKHEYIEIBVHII-NWDGAFQWSA-N 1 0 248.326 1.775 40 0 BDABRO Cc1ccc2c(c1)[C@H]([NH3+])CCS2(=O)=O ZINC000020437191 342985393 /nfs/dbraw/zinc/98/53/93/342985393.db2.gz CWXNWXDUTHQXFJ-SECBINFHSA-N 1 0 211.286 1.172 40 0 BDABRO Cc1ccc([C@H](C[NH3+])N2CCOCC2)cc1C ZINC000037179872 349769860 /nfs/dbraw/zinc/76/98/60/349769860.db2.gz HJLWWLBSQZYUJL-AWEZNQCLSA-N 1 0 234.343 1.635 40 0 BDABRO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(O)c1 ZINC000259388527 343129254 /nfs/dbraw/zinc/12/92/54/343129254.db2.gz AFAUMTTXQAOWAJ-NEPJUHHUSA-N 1 0 235.283 1.258 40 0 BDABRO C[C@@H](O)C[NH2+]CCNC/C=C/c1ccccc1 ZINC000022075256 136277965 /nfs/dbraw/zinc/27/79/65/136277965.db2.gz SXNUHEXNBZRAMU-OQHXTRMZSA-N 1 0 234.343 1.260 40 0 BDABRO Fc1ccc(OCCN2CCC[NH2+]CC2)cc1 ZINC000036946465 343328283 /nfs/dbraw/zinc/32/82/83/343328283.db2.gz OXMSBZPJNNSZFF-UHFFFAOYSA-N 1 0 238.306 1.500 40 0 BDABRO C[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000037802965 343313174 /nfs/dbraw/zinc/31/31/74/343313174.db2.gz JYCDSWHICBANAY-IUCAKERBSA-N 1 0 224.279 1.692 40 0 BDABRO Fc1ccc(F)c(CN2CCC[NH2+]CC2)c1 ZINC000038087047 343369977 /nfs/dbraw/zinc/36/99/77/343369977.db2.gz KBYVUXJQWYIMDG-UHFFFAOYSA-N 1 0 226.270 1.760 40 0 BDABRO O=c1cc2n(cc1O)[C@H]1CCCC[C@@H]1[NH2+]C2 ZINC000040164032 343398075 /nfs/dbraw/zinc/39/80/75/343398075.db2.gz OYXZENZTYWZNNE-UWVGGRQHSA-N 1 0 220.272 1.141 40 0 BDABRO COC(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)OC ZINC000047219077 343559723 /nfs/dbraw/zinc/55/97/23/343559723.db2.gz NPGBSFXUQKOYSB-SECBINFHSA-N 1 0 247.335 1.173 40 0 BDABRO CCN1CCC[C@@H]1C[NH2+]C[C@@H](C)OC ZINC000096528814 343759086 /nfs/dbraw/zinc/75/90/86/343759086.db2.gz HCLGTEXDRCIUDH-GHMZBOCLSA-N 1 0 200.326 1.095 40 0 BDABRO Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1C ZINC000038538880 343783033 /nfs/dbraw/zinc/78/30/33/343783033.db2.gz ZYXHHHMIXGLBHF-CYBMUJFWSA-N 1 0 205.301 1.870 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)o1 ZINC000229210077 343793757 /nfs/dbraw/zinc/79/37/57/343793757.db2.gz NURKQWMARMRHQE-RKDXNWHRSA-N 1 0 209.245 1.064 40 0 BDABRO CO[C@@H]1CC[NH2+]C[C@H]1Cc1ccc(F)cc1 ZINC000221730823 346987239 /nfs/dbraw/zinc/98/72/39/346987239.db2.gz AWWJMFICYRIVQT-DGCLKSJQSA-N 1 0 223.291 1.993 40 0 BDABRO CO[C@H]1CC[NH2+]C[C@H]1Cc1ccc(F)cc1 ZINC000221730882 346987243 /nfs/dbraw/zinc/98/72/43/346987243.db2.gz AWWJMFICYRIVQT-YPMHNXCESA-N 1 0 223.291 1.993 40 0 BDABRO C[C@@H](CC[NH3+])n1nc(-c2ccsc2)ccc1=O ZINC000575622100 343868781 /nfs/dbraw/zinc/86/87/81/343868781.db2.gz DWCVXECOTHMKTF-VIFPVBQESA-N 1 0 249.339 1.882 40 0 BDABRO [NH3+]CCn1nc(-c2ccccc2Cl)ccc1=O ZINC000575621966 343870434 /nfs/dbraw/zinc/87/04/34/343870434.db2.gz BREOKDYWJNQGBF-UHFFFAOYSA-N 1 0 249.701 1.522 40 0 BDABRO c1nn(C[C@H]2CCCCO2)cc1C1CC[NH2+]CC1 ZINC000575623340 343875498 /nfs/dbraw/zinc/87/54/98/343875498.db2.gz KTKLHVWGYONYSE-CQSZACIVSA-N 1 0 249.358 1.919 40 0 BDABRO Fc1cccnc1O[C@@H]1CSC2(C[NH2+]C2)C1 ZINC000585103598 344133358 /nfs/dbraw/zinc/13/33/58/344133358.db2.gz BTLXVDDLYSXLSG-QMMMGPOBSA-N 1 0 240.303 1.447 40 0 BDABRO CC/C=C(\C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000585118363 344140153 /nfs/dbraw/zinc/14/01/53/344140153.db2.gz HYDQSJYUQCVBSG-RBWIOGKGSA-N 1 0 224.348 1.929 40 0 BDABRO C[NH2+]C[C@@H]1C[C@@H]1c1ccc2c(c1)CCO2 ZINC000054588833 259373819 /nfs/dbraw/zinc/37/38/19/259373819.db2.gz NLTVUVKDKUBQBA-NWDGAFQWSA-N 1 0 203.285 1.944 40 0 BDABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCC[NH2+]2)n1 ZINC000585178852 344276234 /nfs/dbraw/zinc/27/62/34/344276234.db2.gz QGUYBFADMVEGOA-SNVBAGLBSA-N 1 0 243.314 1.990 40 0 BDABRO Cc1ccc(OC[C@@]2(O)CC[NH2+]C2)cc1 ZINC000585268885 344388255 /nfs/dbraw/zinc/38/82/55/344388255.db2.gz CRENZRQMMBANBX-GFCCVEGCSA-N 1 0 207.273 1.098 40 0 BDABRO O[C@]1(COc2ccccc2)CCC[NH2+]CC1 ZINC000258599076 345784472 /nfs/dbraw/zinc/78/44/72/345784472.db2.gz UNTRXMKISAFXNO-CYBMUJFWSA-N 1 0 221.300 1.570 40 0 BDABRO Cc1ccc2nn[n+](-c3ccc(Cl)cc3)n2c1 ZINC000002531034 178986186 /nfs/dbraw/zinc/98/61/86/178986186.db2.gz XKRXSCGUGLUUFC-UHFFFAOYSA-N 1 0 245.693 1.968 40 0 BDABRO CCSc1nnc([C@H]2CCC[NH2+]C2)n1C ZINC000005000658 346256556 /nfs/dbraw/zinc/25/65/56/346256556.db2.gz ZDFYXTPMEGJUDG-QMMMGPOBSA-N 1 0 226.349 1.394 40 0 BDABRO CN(C)c1ccc(NC(=O)C[NH+]2CCCC2)cc1 ZINC000005022681 346258551 /nfs/dbraw/zinc/25/85/51/346258551.db2.gz LURCTHYHYMKGSO-UHFFFAOYSA-N 1 0 247.342 1.787 40 0 BDABRO Cc1cccc(CN(C)C(=O)[C@H](C)[NH3+])c1 ZINC000037807873 179063940 /nfs/dbraw/zinc/06/39/40/179063940.db2.gz QHZXETWGPAAAPT-JTQLQIEISA-N 1 0 206.289 1.301 40 0 BDABRO Cc1cccc(CN2CC[C@@H]([NH3+])C2)c1C ZINC000038538727 179080095 /nfs/dbraw/zinc/08/00/95/179080095.db2.gz METRHYZPPLVDES-CYBMUJFWSA-N 1 0 204.317 1.836 40 0 BDABRO C[C@@H]([NH2+]C1(C)CCC1)C1CCS(=O)(=O)CC1 ZINC000187526119 346582501 /nfs/dbraw/zinc/58/25/01/346582501.db2.gz UWLIXLQPOCUYKX-SNVBAGLBSA-N 1 0 245.388 1.732 40 0 BDABRO CC[NH+](CC)CC(=O)Nc1ccccc1N ZINC000008703581 346681276 /nfs/dbraw/zinc/68/12/76/346681276.db2.gz ASORMRDZMVFUHL-UHFFFAOYSA-N 1 0 221.304 1.549 40 0 BDABRO O=C(c1cccnc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932149 347209917 /nfs/dbraw/zinc/20/99/17/347209917.db2.gz UXTGUILTYJCTMN-LBPRGKRZSA-N 1 0 231.299 1.002 40 0 BDABRO Cn1cncc1-c1cnc(C[C@H]2CC[NH2+]C2)cn1 ZINC000205707343 348578830 /nfs/dbraw/zinc/57/88/30/348578830.db2.gz BYLVPJCGQVZNRM-SNVBAGLBSA-N 1 0 243.314 1.029 40 0 BDABRO CSc1nccc(N[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000079439877 187427311 /nfs/dbraw/zinc/42/73/11/187427311.db2.gz YYXYPLGLBMENEP-DTWKUNHWSA-N 1 0 238.360 1.880 40 0 BDABRO CC1(c2nc(-c3cccnc3)no2)CC[NH2+]CC1 ZINC000062843195 259408401 /nfs/dbraw/zinc/40/84/01/259408401.db2.gz VFDYZFACSWWGIW-UHFFFAOYSA-N 1 0 244.298 1.773 40 0 BDABRO Cc1cc[n+](Cc2cnc(C)nc2N)cc1C ZINC000006255688 180161716 /nfs/dbraw/zinc/16/17/16/180161716.db2.gz DONPPIVOGFMYFT-UHFFFAOYSA-N 1 0 229.307 1.320 40 0 BDABRO Cc1[nH+]cc(N)c(N)c1Br ZINC000098175568 180163383 /nfs/dbraw/zinc/16/33/83/180163383.db2.gz VKFANTXCEQWXDJ-UHFFFAOYSA-N 1 0 202.055 1.317 40 0 BDABRO O=c1c2ccccc2cnn1C[C@H]1CCCC[NH2+]1 ZINC000043494179 259412091 /nfs/dbraw/zinc/41/20/91/259412091.db2.gz VDBYIKWBBIYPLD-GFCCVEGCSA-N 1 0 243.310 1.539 40 0 BDABRO Cc1nccn1[C@H]1CCC[N@H+](C[C@@H]2CO2)C1 ZINC000096510522 180270915 /nfs/dbraw/zinc/27/09/15/180270915.db2.gz LMWGTGDTFNJUHL-NWDGAFQWSA-N 1 0 221.304 1.227 40 0 BDABRO C[C@H](C[NH3+])[C@@H]1c2ccccc2N(C)C1=O ZINC000039105332 350332490 /nfs/dbraw/zinc/33/24/90/350332490.db2.gz IPQHZOJSZRPBRA-LDYMZIIASA-N 1 0 204.273 1.341 40 0 BDABRO Cc1nn(C)cc1CN(C)C[C@H]([NH3+])C(C)C ZINC000096523749 180372912 /nfs/dbraw/zinc/37/29/12/180372912.db2.gz NBUURGIDQUBDMN-LBPRGKRZSA-N 1 0 224.352 1.144 40 0 BDABRO CCOc1ccc([C@@H](CO)[NH+](C)C)cc1 ZINC000041218583 350580631 /nfs/dbraw/zinc/58/06/31/350580631.db2.gz AIOZQCYLHSJDGP-GFCCVEGCSA-N 1 0 209.289 1.680 40 0 BDABRO COc1ccc(CN2CC[C@@H]([NH3+])C2)cc1C ZINC000038538898 490688777 /nfs/dbraw/zinc/68/87/77/490688777.db2.gz YSYKGJGDOVWJAC-GFCCVEGCSA-N 1 0 220.316 1.537 40 0 BDABRO C[NH2+]Cc1cnn(C[C@H]2CCCOC2)c1 ZINC000575623243 350776991 /nfs/dbraw/zinc/77/69/91/350776991.db2.gz BFAJBVAHPCYWSQ-SNVBAGLBSA-N 1 0 209.293 1.029 40 0 BDABRO CCOC(=O)CC[C@@H]([NH3+])c1cccnc1 ZINC000231560186 350837233 /nfs/dbraw/zinc/83/72/33/350837233.db2.gz CUUPNRJONSSVMP-SNVBAGLBSA-N 1 0 208.261 1.425 40 0 BDABRO CCCCCC[NH+](C[C@H](C)O)C[C@H](C)O ZINC000006203335 168662249 /nfs/dbraw/zinc/66/22/49/168662249.db2.gz CFGWPTDWIBCXMS-RYUDHWBXSA-N 1 0 217.353 1.630 40 0 BDABRO Cn1c2ccccc2nc1O[C@H]1CCC[NH2+]C1 ZINC000043220330 363151607 /nfs/dbraw/zinc/15/16/07/363151607.db2.gz GOYBQQFPIZMGIE-JTQLQIEISA-N 1 0 231.299 1.704 40 0 BDABRO O=C1C[C@@]2(CN1)CCCC[N@@H+]2CC1CC1 ZINC000306141607 352983257 /nfs/dbraw/zinc/98/32/57/352983257.db2.gz WCAQEUUVJFNFQU-GFCCVEGCSA-N 1 0 208.305 1.141 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccccn1)C1CC1 ZINC000037803326 188114837 /nfs/dbraw/zinc/11/48/37/188114837.db2.gz PFCNJNSQKYECAX-ZDUSSCGKSA-N 1 0 247.342 1.556 40 0 BDABRO COc1ccc([C@H](C[NH3+])OC)c(OC)c1 ZINC000049814958 188125449 /nfs/dbraw/zinc/12/54/49/188125449.db2.gz MZWGJHGEZQUTCY-NSHDSACASA-N 1 0 211.261 1.350 40 0 BDABRO CC(C)[N@@H+]1CC[C@@H](c2ccnc(N)n2)C1 ZINC000072356979 188132037 /nfs/dbraw/zinc/13/20/37/188132037.db2.gz MVSXEMCZGMALSC-SECBINFHSA-N 1 0 206.293 1.257 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nc([C@@H]2CCCO2)n[nH]1 ZINC000095534779 188146592 /nfs/dbraw/zinc/14/65/92/188146592.db2.gz FBOLPPDWEIHMRR-JGVFFNPUSA-N 1 0 210.281 1.312 40 0 BDABRO CC(C)(C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000096511476 188148314 /nfs/dbraw/zinc/14/83/14/188148314.db2.gz HOEIZXLQHYSTLZ-UHFFFAOYSA-N 1 0 223.320 1.909 40 0 BDABRO C(C[C@H]1CCOC12C[NH2+]C2)OCC1CCCC1 ZINC000247832803 188193630 /nfs/dbraw/zinc/19/36/30/188193630.db2.gz IAPUGPOOPHSTBE-ZDUSSCGKSA-N 1 0 239.359 1.962 40 0 BDABRO CNC(=O)c1cccc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000257309633 188193724 /nfs/dbraw/zinc/19/37/24/188193724.db2.gz UBSYWXVMNBXDHU-CYBMUJFWSA-N 1 0 247.342 1.987 40 0 BDABRO COc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1F ZINC000038539714 188178681 /nfs/dbraw/zinc/17/86/81/188178681.db2.gz OKMSEIGDLVJSFK-LLVKDONJSA-N 1 0 239.290 1.791 40 0 BDABRO CCCC[C@H]1C[C@@H](OCCOC)C[NH2+]1 ZINC000217864226 188179520 /nfs/dbraw/zinc/17/95/20/188179520.db2.gz VXEYEVIROCLAAV-WDEREUQCSA-N 1 0 201.310 1.570 40 0 BDABRO C(O[C@@H]1COC2(C1)CC[NH2+]CC2)C1CC1 ZINC000066346545 188185515 /nfs/dbraw/zinc/18/55/15/188185515.db2.gz CNCCLEISDPQKCF-NSHDSACASA-N 1 0 211.305 1.324 40 0 BDABRO COc1ccc(C[C@H]2C[NH2+]CCOC2)cc1 ZINC000071523000 188187341 /nfs/dbraw/zinc/18/73/41/188187341.db2.gz ZWUJANFENHKFNM-LBPRGKRZSA-N 1 0 221.300 1.474 40 0 BDABRO Fc1ccccc1-c1noc([C@@H]2CC[NH2+]C2)n1 ZINC000062119872 181010325 /nfs/dbraw/zinc/01/03/25/181010325.db2.gz XGUANSHUKMNVPV-MRVPVSSYSA-N 1 0 233.246 1.953 40 0 BDABRO Fc1cccnc1O[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC000306141442 181016704 /nfs/dbraw/zinc/01/67/04/181016704.db2.gz VWKMPBQVNVTBOB-CABZTGNLSA-N 1 0 238.262 1.121 40 0 BDABRO NC(=[NH2+])c1ccc(F)cc1Br ZINC000199752521 181195415 /nfs/dbraw/zinc/19/54/15/181195415.db2.gz RRGAUSQIDFTLSZ-UHFFFAOYSA-N 1 0 217.041 1.872 40 0 BDABRO [NH3+][C@H](CC(=O)N1CCCC1)c1ccccc1 ZINC000019475239 356394705 /nfs/dbraw/zinc/39/47/05/356394705.db2.gz DEGFZOOSPLABMU-GFCCVEGCSA-N 1 0 218.300 1.699 40 0 BDABRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1F ZINC000006363824 358003882 /nfs/dbraw/zinc/00/38/82/358003882.db2.gz SFLBEOYVHMQXLY-SNVBAGLBSA-N 1 0 241.306 1.954 40 0 BDABRO C[N+]1=C(c2ccccc2)/C(=C\N=O)SN1 ZINC000198383973 358961434 /nfs/dbraw/zinc/96/14/34/358961434.db2.gz QNGUICYAERLYET-UHFFFAOYSA-O 1 0 220.277 1.892 40 0 BDABRO [NH3+]CC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000020182490 181364765 /nfs/dbraw/zinc/36/47/65/181364765.db2.gz NNGSKRRCJXKXJH-UHFFFAOYSA-N 1 0 236.290 1.637 40 0 BDABRO COC(=O)C[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000057517803 541426367 /nfs/dbraw/zinc/42/63/67/541426367.db2.gz ALAGUDIEYNICAD-SECBINFHSA-N 1 0 227.691 1.945 40 0 BDABRO [NH3+]CCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000032553282 181391845 /nfs/dbraw/zinc/39/18/45/181391845.db2.gz MZVHCSFZBODWPW-GFCCVEGCSA-N 1 0 208.280 1.921 40 0 BDABRO [NH3+]CCNCc1c(F)cccc1Cl ZINC000037712547 181396712 /nfs/dbraw/zinc/39/67/12/181396712.db2.gz MDNSVRFKRKCRSD-UHFFFAOYSA-N 1 0 202.660 1.527 40 0 BDABRO [NH3+]C[C@@H](O)c1ccccc1OC(F)(F)F ZINC000020216697 181423772 /nfs/dbraw/zinc/42/37/72/181423772.db2.gz FRLYCJVPGMLVEF-SSDOTTSWSA-N 1 0 221.178 1.577 40 0 BDABRO Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000205682472 368356606 /nfs/dbraw/zinc/35/66/06/368356606.db2.gz JQIPIFNWRXFEID-NSHDSACASA-N 1 0 245.330 1.821 40 0 BDABRO C[N@@H+]1CCC[C@@H]1c1nccnc1-c1ncc[nH]1 ZINC000205695866 368358293 /nfs/dbraw/zinc/35/82/93/368358293.db2.gz RVGRHJQUHABKHV-SECBINFHSA-N 1 0 229.287 1.633 40 0 BDABRO Cc1cc(-c2ccnn2C)nc([C@H]2CCC[NH2+]2)n1 ZINC000205695692 368358752 /nfs/dbraw/zinc/35/87/52/368358752.db2.gz HDOXFZPEYYPHMA-SNVBAGLBSA-N 1 0 243.314 1.610 40 0 BDABRO CNc1cc(C)nc(C2(C)CC[NH2+]CC2)n1 ZINC000205706466 368360178 /nfs/dbraw/zinc/36/01/78/368360178.db2.gz WPMJXJYYWJITKA-UHFFFAOYSA-N 1 0 220.320 1.468 40 0 BDABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1c(F)cccc1Cl ZINC000062713508 181441393 /nfs/dbraw/zinc/44/13/93/181441393.db2.gz OOIYCSVCKAYPSO-RDDDGLTNSA-N 1 0 229.682 1.904 40 0 BDABRO Cn1cncc1-c1cncc(C[C@@H]2CC[NH2+]C2)n1 ZINC000205695514 369997653 /nfs/dbraw/zinc/99/76/53/369997653.db2.gz NOLADVPJRWMPFE-JTQLQIEISA-N 1 0 243.314 1.029 40 0 BDABRO [NH3+]CCc1c[nH]c(Cc2cccc(F)c2)n1 ZINC000062716574 370090097 /nfs/dbraw/zinc/09/00/97/370090097.db2.gz QJUWPKNTNOJMKF-UHFFFAOYSA-N 1 0 219.263 1.641 40 0 BDABRO C[C@H]([NH3+])c1ccc(-c2cccnc2)[nH]c1=O ZINC000253536635 370175135 /nfs/dbraw/zinc/17/51/35/370175135.db2.gz ZFTKRKRRTAGGAK-QMMMGPOBSA-N 1 0 215.256 1.869 40 0 BDABRO C[NH2+]C[C@H]1CC[C@]2(CCOC(C)(C)C2)O1 ZINC000242548213 259544177 /nfs/dbraw/zinc/54/41/77/259544177.db2.gz LDCGOVCOSZSMCK-ZYHUDNBSSA-N 1 0 213.321 1.713 40 0 BDABRO O=C1CC[C@@H](C(F)(F)F)N1[C@@H]1CCC[NH2+]C1 ZINC000256049950 370634580 /nfs/dbraw/zinc/63/45/80/370634580.db2.gz CBMYTNNYRJITJI-SFYZADRCSA-N 1 0 236.237 1.292 40 0 BDABRO [NH3+][C@@H]1CCCN(CC(=O)c2cccs2)C1 ZINC000050149797 181577823 /nfs/dbraw/zinc/57/78/23/181577823.db2.gz XPVQHNSFHNEGAJ-SECBINFHSA-N 1 0 224.329 1.354 40 0 BDABRO c1ccc2sc(OCC3C[NH2+]C3)nc2c1 ZINC000397007192 259551103 /nfs/dbraw/zinc/55/11/03/259551103.db2.gz UDUFQNFWOHWWTC-UHFFFAOYSA-N 1 0 220.297 1.895 40 0 BDABRO O=C(CC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000043220483 181917690 /nfs/dbraw/zinc/91/76/90/181917690.db2.gz RDKDEPZLJUXECO-UHFFFAOYSA-N 1 0 233.311 1.716 40 0 BDABRO CCOC(=O)c1ccc(OCC2C[NH2+]C2)cc1 ZINC000038580853 372709247 /nfs/dbraw/zinc/70/92/47/372709247.db2.gz MYXYTXMLXIGPEA-UHFFFAOYSA-N 1 0 235.283 1.462 40 0 BDABRO O=C(Cc1ccccc1)N1CCC[NH2+]CC1 ZINC000019281746 182043154 /nfs/dbraw/zinc/04/31/54/182043154.db2.gz IJQRULKXWLONHX-UHFFFAOYSA-N 1 0 218.300 1.051 40 0 BDABRO O=C(NCCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000019413575 182204423 /nfs/dbraw/zinc/20/44/23/182204423.db2.gz HRHYZXGCLISZSA-ZDUSSCGKSA-N 1 0 232.327 1.345 40 0 BDABRO O=C(Nc1ccccc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000096054126 182376010 /nfs/dbraw/zinc/37/60/10/182376010.db2.gz GIRZTQJECRNKND-VXGBXAGGSA-N 1 0 245.326 1.760 40 0 BDABRO O=C(c1cnc([C@H]2CCC[NH2+]2)cn1)N1CCCC1 ZINC000072387011 182697434 /nfs/dbraw/zinc/69/74/34/182697434.db2.gz MQODKPQDACRGFP-SNVBAGLBSA-N 1 0 246.314 1.137 40 0 BDABRO O=C1N(c2ccsc2)CC[C@@]12CC[NH2+]C2 ZINC000306139869 182789888 /nfs/dbraw/zinc/78/98/88/182789888.db2.gz UDADNWYEQNAHOS-LLVKDONJSA-N 1 0 222.313 1.465 40 0 BDABRO O=C1Nc2ccc(F)cc2CC12CC[NH2+]CC2 ZINC000098214097 182823160 /nfs/dbraw/zinc/82/31/60/182823160.db2.gz NERJNUFSIOKKJJ-UHFFFAOYSA-N 1 0 234.274 1.690 40 0 BDABRO O=C1c2c(cccc2F)CN1[C@H]1CC[NH2+]C1 ZINC000095483711 182842672 /nfs/dbraw/zinc/84/26/72/182842672.db2.gz OOQQBEOILNZGGM-VIFPVBQESA-N 1 0 220.247 1.143 40 0 BDABRO O=c1ccc2c([nH]1)CC[N@@H+](CC1CC1)CC2 ZINC000096196631 183001279 /nfs/dbraw/zinc/00/12/79/183001279.db2.gz XBLZQPMOGRMNNI-UHFFFAOYSA-N 1 0 218.300 1.186 40 0 BDABRO OC1(Cn2ccc3ccncc32)CC[NH2+]CC1 ZINC000019404726 183021840 /nfs/dbraw/zinc/02/18/40/183021840.db2.gz KCTZTPUAWQKNDU-UHFFFAOYSA-N 1 0 231.299 1.151 40 0 BDABRO OCCOC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079390535 183087096 /nfs/dbraw/zinc/08/70/96/183087096.db2.gz XQOARWVJYUQOOB-AWEZNQCLSA-N 1 0 235.327 1.517 40 0 BDABRO O[C@H](C[NH2+]C1CC1)COc1ccc(Cl)cc1 ZINC000032099999 183223132 /nfs/dbraw/zinc/22/31/32/183223132.db2.gz RUXHKSZLGZBVRB-LLVKDONJSA-N 1 0 241.718 1.832 40 0 BDABRO CCC[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000001731652 169198467 /nfs/dbraw/zinc/19/84/67/169198467.db2.gz XSQCLJYZXBTODL-JTQLQIEISA-N 1 0 214.309 1.559 40 0 BDABRO c1ccc(-c2ncc3c(n2)CC[NH2+]C3)nc1 ZINC000035269676 183383614 /nfs/dbraw/zinc/38/36/14/183383614.db2.gz LKBLOVYSBYXPIE-UHFFFAOYSA-N 1 0 212.256 1.184 40 0 BDABRO CCC[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000256052750 169268333 /nfs/dbraw/zinc/26/83/33/169268333.db2.gz OMOOUDJHJWYCAK-UHFFFAOYSA-N 1 0 221.226 1.945 40 0 BDABRO CCC[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000085654962 169268915 /nfs/dbraw/zinc/26/89/15/169268915.db2.gz UOOKAYYLUGLUHI-UHFFFAOYSA-N 1 0 221.226 1.939 40 0 BDABRO c1ccc(CN2CCC[C@@]3(C[NH2+]CCO3)C2)nc1 ZINC000096226819 183398231 /nfs/dbraw/zinc/39/82/31/183398231.db2.gz UBQSDDNENFMEHT-CQSZACIVSA-N 1 0 247.342 1.036 40 0 BDABRO CCC[NH2+][C@@H]1CCc2nc(N)sc2[C@@H]1O ZINC000077032223 169283511 /nfs/dbraw/zinc/28/35/11/169283511.db2.gz UWNDKVURLHPSSG-HTRCEHHLSA-N 1 0 227.333 1.073 40 0 BDABRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000065252007 169368531 /nfs/dbraw/zinc/36/85/31/169368531.db2.gz CPUMRFUYCXVDDT-MNOVXSKESA-N 1 0 212.337 1.633 40 0 BDABRO c1cncc(CO[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000096248998 183496260 /nfs/dbraw/zinc/49/62/60/183496260.db2.gz PSVLQGSETNVMBZ-HZSPNIEDSA-N 1 0 232.327 1.986 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]([NH3+])CO2)C1 ZINC000091304420 166655190 /nfs/dbraw/zinc/65/51/90/166655190.db2.gz XRSPAFPVVVLQTD-SKDRFNHKSA-N 1 0 242.319 1.114 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]([NH3+])[C@@H]1C2 ZINC000020286010 166656134 /nfs/dbraw/zinc/65/61/34/166656134.db2.gz WDLJVXLPYIOWOZ-YIZRAAEISA-N 1 0 212.293 1.343 40 0 BDABRO C[C@@H]1N[C@]1(c1ccccc1)[n+]1ccccc1 ZINC000001728230 383931641 /nfs/dbraw/zinc/93/16/41/383931641.db2.gz USCBUFBCRYMHLK-JSGCOSHPSA-N 1 0 211.288 1.667 40 0 BDABRO C[C@H]1CN(C(=O)c2ccc(F)cc2F)CC[NH2+]1 ZINC000067799599 383947563 /nfs/dbraw/zinc/94/75/63/383947563.db2.gz GVKPEPXTGGJRQV-QMMMGPOBSA-N 1 0 240.253 1.399 40 0 BDABRO C[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000003599497 384020106 /nfs/dbraw/zinc/02/01/06/384020106.db2.gz LJZSMGYSNXRFQB-LLVKDONJSA-N 1 0 210.321 1.341 40 0 BDABRO CC(=O)O[C@@H]1C[N@H+](C)CC=C1c1ccccc1 ZINC000003634821 384023400 /nfs/dbraw/zinc/02/34/00/384023400.db2.gz MIOQWSQOMBWYPJ-CQSZACIVSA-N 1 0 231.295 1.947 40 0 BDABRO c1cnc(Nc2nccc([C@@H]3CCC[NH2+]3)n2)cn1 ZINC000072376735 384036056 /nfs/dbraw/zinc/03/60/56/384036056.db2.gz JEXVJEIJFYLILV-VIFPVBQESA-N 1 0 242.286 1.435 40 0 BDABRO N[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000035677006 384088896 /nfs/dbraw/zinc/08/88/96/384088896.db2.gz OOXAINRQIVQQDU-ZETCQYMHSA-N 1 0 205.088 1.952 40 0 BDABRO C[C@@H](NC1CC[NH2+]CC1)c1ccccn1 ZINC000038040651 384061557 /nfs/dbraw/zinc/06/15/57/384061557.db2.gz CDUJSRKGPBLLBY-SNVBAGLBSA-N 1 0 205.305 1.484 40 0 BDABRO CC(=O)NC1CCC([N@@H+](CCO)C(C)C)CC1 ZINC000079405444 384133436 /nfs/dbraw/zinc/13/34/36/384133436.db2.gz TXUMEMUVUAAHNB-UHFFFAOYSA-N 1 0 242.363 1.136 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H](SCC[NH3+])C1 ZINC000079392218 384132775 /nfs/dbraw/zinc/13/27/75/384132775.db2.gz WDXSGKKGEFFQKF-SECBINFHSA-N 1 0 246.376 1.688 40 0 BDABRO CCN(C[C@@H]1CCC[NH2+]1)C(=O)OC(C)(C)C ZINC000079437589 384146910 /nfs/dbraw/zinc/14/69/10/384146910.db2.gz RYCDSOGFKNRPKD-JTQLQIEISA-N 1 0 228.336 1.995 40 0 BDABRO CCCCCOC(=O)NCCSC(N)=[NH2+] ZINC000005973242 384139883 /nfs/dbraw/zinc/13/98/83/384139883.db2.gz OZNATUOBMGHUJV-UHFFFAOYSA-N 1 0 233.337 1.529 40 0 BDABRO CN(CC[NH3+])Cc1cnc(Cl)s1 ZINC000079421969 384145330 /nfs/dbraw/zinc/14/53/30/384145330.db2.gz QLDHIDKPSALDKW-UHFFFAOYSA-N 1 0 205.714 1.187 40 0 BDABRO Nc1nccc([C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000072350806 384210501 /nfs/dbraw/zinc/21/05/01/384210501.db2.gz BACIVSYUCIPNOF-LLVKDONJSA-N 1 0 232.331 1.648 40 0 BDABRO Cc1ccnc([C@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072357390 384213959 /nfs/dbraw/zinc/21/39/59/384213959.db2.gz NHXSCNCDUCCRPC-LLVKDONJSA-N 1 0 248.330 1.010 40 0 BDABRO CCOc1ccccc1NC(=O)CC[NH3+] ZINC000008732973 384214977 /nfs/dbraw/zinc/21/49/77/384214977.db2.gz FIMVGDDEMSWJBP-UHFFFAOYSA-N 1 0 208.261 1.373 40 0 BDABRO c1cn(-c2ccnc(C3CC[NH2+]CC3)c2)cn1 ZINC000072386543 384218483 /nfs/dbraw/zinc/21/84/83/384218483.db2.gz QLXVNLZRISUCHR-UHFFFAOYSA-N 1 0 228.299 1.734 40 0 BDABRO c1cn(-c2cc([C@H]3CCC[NH2+]3)ccn2)cn1 ZINC000072386545 384219643 /nfs/dbraw/zinc/21/96/43/384219643.db2.gz IVAMHHWSGYYGJF-LLVKDONJSA-N 1 0 214.272 1.692 40 0 BDABRO [NH3+]Cc1cn(-c2ccc(Cl)cc2)cn1 ZINC000082532964 384227303 /nfs/dbraw/zinc/22/73/03/384227303.db2.gz QSHYSAKPTMBAAJ-UHFFFAOYSA-N 1 0 207.664 1.984 40 0 BDABRO CC[NH+]1CCN(c2ccc([C@H](C)O)cn2)CC1 ZINC000072225546 384247454 /nfs/dbraw/zinc/24/74/54/384247454.db2.gz GJGSFCWFDZUHSY-NSHDSACASA-N 1 0 235.331 1.277 40 0 BDABRO CC(C)c1[nH]c(=O)c(C[NH3+])c2c1CCCC2 ZINC000072226585 384252512 /nfs/dbraw/zinc/25/25/12/384252512.db2.gz XTXVRZQAHWAYTA-UHFFFAOYSA-N 1 0 220.316 1.836 40 0 BDABRO CC(C)(CC[NH+]1CCCCCC1)NC(N)=O ZINC000187387323 384256671 /nfs/dbraw/zinc/25/66/71/384256671.db2.gz ZMZHMPSPJHVLOB-UHFFFAOYSA-N 1 0 227.352 1.699 40 0 BDABRO Cc1ccc(CC(=O)NCC[NH+](C)C)c(C)c1 ZINC000074960068 384315605 /nfs/dbraw/zinc/31/56/05/384315605.db2.gz ACCXQNKKBXHMAV-UHFFFAOYSA-N 1 0 234.343 1.524 40 0 BDABRO C[N@H+](C1CC1)[C@H]1CC[C@H]([NH2+]CC(=O)[O-])CC1 ZINC000100177978 384282587 /nfs/dbraw/zinc/28/25/87/384282587.db2.gz MLOAZEOHZUISAY-AOOOYVTPSA-N 1 0 226.320 1.066 40 0 BDABRO COc1ccc(CC(N)=[NH2+])c(OC)c1OC ZINC000001442850 384387473 /nfs/dbraw/zinc/38/74/73/384387473.db2.gz KFFWGNIQKSNDNU-UHFFFAOYSA-N 1 0 224.260 1.191 40 0 BDABRO Cc1ccc(CN2CCO[C@H]3C[NH2+]CC[C@H]32)o1 ZINC000096054659 384429929 /nfs/dbraw/zinc/42/99/29/384429929.db2.gz JRSCEYUEFFPVAM-OLZOCXBDSA-N 1 0 236.315 1.151 40 0 BDABRO COC[C@@H]1CCC[C@@]12C[N@H+](CC1CC1)CCO2 ZINC000096051857 384430332 /nfs/dbraw/zinc/43/03/32/384430332.db2.gz FOGHAJKEKJVSQE-UONOGXRCSA-N 1 0 239.359 1.914 40 0 BDABRO CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccco1 ZINC000096057755 384430853 /nfs/dbraw/zinc/43/08/53/384430853.db2.gz UUJJTNLYYLPPOZ-YNEHKIRRSA-N 1 0 237.299 1.658 40 0 BDABRO Cn1cc2c(n1)[C@H](C[NH2+]Cc1ccoc1)OCC2 ZINC000096059674 384431303 /nfs/dbraw/zinc/43/13/03/384431303.db2.gz JUDWIJMPNUJCFY-LBPRGKRZSA-N 1 0 247.298 1.417 40 0 BDABRO Fc1ccc2c(c1)CC1(CC[NH2+]CC1)O2 ZINC000079065685 384482024 /nfs/dbraw/zinc/48/20/24/384482024.db2.gz QAJSCZSRUBMWMH-UHFFFAOYSA-N 1 0 207.248 1.883 40 0 BDABRO COc1ccc(OC[C@H]2C[NH2+]CCO2)cc1 ZINC000011587416 384458734 /nfs/dbraw/zinc/45/87/34/384458734.db2.gz CPIIBXDVKCDHMA-GFCCVEGCSA-N 1 0 223.272 1.062 40 0 BDABRO O=C1c2ccccc2C[C@@H]1[C@H]1CCC[NH2+]1 ZINC000019695369 384530985 /nfs/dbraw/zinc/53/09/85/384530985.db2.gz ITATZIBCEDJSHE-VXGBXAGGSA-N 1 0 201.269 1.794 40 0 BDABRO CSc1ccc(C[N@H+](C)CCO)cc1 ZINC000049633809 384552722 /nfs/dbraw/zinc/55/27/22/384552722.db2.gz JHWSJJUNJDQNQF-UHFFFAOYSA-N 1 0 211.330 1.833 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)cc1 ZINC000067173378 384560104 /nfs/dbraw/zinc/56/01/04/384560104.db2.gz FNKALRYQAVQRDR-VXGBXAGGSA-N 1 0 219.284 1.471 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000100040765 384610945 /nfs/dbraw/zinc/61/09/45/384610945.db2.gz LNTDJAQQPGLCGB-CHWSQXEVSA-N 1 0 249.310 1.042 40 0 BDABRO [NH3+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000020216672 384599767 /nfs/dbraw/zinc/59/97/67/384599767.db2.gz QGRKTIWYKAIGEL-ZETCQYMHSA-N 1 0 206.072 1.986 40 0 BDABRO C[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000082305172 384662464 /nfs/dbraw/zinc/66/24/64/384662464.db2.gz XNRKFWDLNLERKB-CYBMUJFWSA-N 1 0 232.327 1.645 40 0 BDABRO Fc1cccc2c1ccnc2N1CC[NH2+]CC1 ZINC000082765925 384712488 /nfs/dbraw/zinc/71/24/88/384712488.db2.gz YIQKLDAEQFNSOR-UHFFFAOYSA-N 1 0 231.274 1.784 40 0 BDABRO COc1ccc(Cl)cc1NC(=O)C[NH3+] ZINC000011956892 384736474 /nfs/dbraw/zinc/73/64/74/384736474.db2.gz MCEBNXJFOQJQBU-UHFFFAOYSA-N 1 0 214.652 1.246 40 0 BDABRO Cc1ccc(C)c(OCCN2CC[NH+](C)CC2)c1 ZINC000022942799 384779543 /nfs/dbraw/zinc/77/95/43/384779543.db2.gz LDICLFCKIDUYGS-UHFFFAOYSA-N 1 0 248.370 1.930 40 0 BDABRO [NH3+]C[C@H](CC(=O)N1CCCC1)c1ccco1 ZINC000062702212 384766233 /nfs/dbraw/zinc/76/62/33/384766233.db2.gz FDNLHUXMCGESPI-JTQLQIEISA-N 1 0 222.288 1.334 40 0 BDABRO C[N@H+]1C[C@@H](c2ccc(F)cc2)[C@H](CO)C1 ZINC000080490224 384781808 /nfs/dbraw/zinc/78/18/08/384781808.db2.gz ZMPBLBRIIUTUJO-JQWIXIFHSA-N 1 0 209.264 1.463 40 0 BDABRO CC[NH+]1CCN(c2ccccc2OC)CC1 ZINC000013738285 384869786 /nfs/dbraw/zinc/86/97/86/384869786.db2.gz VLKJSRWSKNCNBI-UHFFFAOYSA-N 1 0 220.316 1.837 40 0 in-vivo BDABRO COc1c(C)cccc1C[NH2+]CCCO ZINC000095094817 384960605 /nfs/dbraw/zinc/96/06/05/384960605.db2.gz PBTUTXRXZPMYHM-UHFFFAOYSA-N 1 0 209.289 1.476 40 0 BDABRO c1cncc(COC[C@@H]2CC[C@H]3[NH2+]CC[C@H]3O2)c1 ZINC000107488038 384973254 /nfs/dbraw/zinc/97/32/54/384973254.db2.gz XOKBKQZPZJDEDZ-BFHYXJOUSA-N 1 0 248.326 1.508 40 0 BDABRO CN(c1cc(Cl)ncn1)[C@@H]1CCC[NH2+]C1 ZINC000072203515 385053525 /nfs/dbraw/zinc/05/35/25/385053525.db2.gz SPDWRJWKMFHTGN-MRVPVSSYSA-N 1 0 226.711 1.318 40 0 BDABRO Fc1cccc(Cl)c1CN[C@H]1CC[NH2+]C1 ZINC000072203637 385054815 /nfs/dbraw/zinc/05/48/15/385054815.db2.gz SNHJZBXNVVOLQN-QMMMGPOBSA-N 1 0 228.698 1.931 40 0 BDABRO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH3+] ZINC000072208924 385065301 /nfs/dbraw/zinc/06/53/01/385065301.db2.gz CCDGWMGDQSLCED-IUCAKERBSA-N 1 0 216.325 1.883 40 0 BDABRO CC(C)(Nc1ccccc1)[C@@H](C[NH3+])CO ZINC000072210374 385067212 /nfs/dbraw/zinc/06/72/12/385067212.db2.gz JFCNGEAJUFXKRD-JTQLQIEISA-N 1 0 208.305 1.444 40 0 BDABRO Nc1ccc([C@H]2CCCCN2C=O)cn1 ZINC000072212393 385074903 /nfs/dbraw/zinc/07/49/03/385074903.db2.gz ZEWAGGHBXLRWDF-SNVBAGLBSA-N 1 0 205.261 1.347 40 0 BDABRO Cc1ccc(C[NH2+]Cc2cnc(N)nc2)cc1 ZINC000062717390 385032074 /nfs/dbraw/zinc/03/20/74/385032074.db2.gz ATKVFGDPBPIYEL-UHFFFAOYSA-N 1 0 228.299 1.657 40 0 BDABRO CCCNc1ncc(C[NH2+]C(C)(C)CO)cn1 ZINC000062717673 385042451 /nfs/dbraw/zinc/04/24/51/385042451.db2.gz VAWRLIHRBKTWSL-UHFFFAOYSA-N 1 0 238.335 1.159 40 0 BDABRO Cc1cc(N2CCCCC2)ncc1CO ZINC000072223492 385113159 /nfs/dbraw/zinc/11/31/59/385113159.db2.gz JCVGVWMEHQAUPR-UHFFFAOYSA-N 1 0 206.289 1.873 40 0 BDABRO CC[C@H]([NH3+])c1cnc(N2CCOCC2)cc1C ZINC000072223557 385113855 /nfs/dbraw/zinc/11/38/55/385113855.db2.gz PVRUMSDRFCSJBE-LBPRGKRZSA-N 1 0 235.331 1.636 40 0 BDABRO Cc1cc(I)ncc1C[NH3+] ZINC000072225978 385125789 /nfs/dbraw/zinc/12/57/89/385125789.db2.gz DCIHIPMROFOPPX-UHFFFAOYSA-N 1 0 248.067 1.453 40 0 BDABRO CC(C)N(C(=O)C[NH2+]C[C@@H]1CCCO1)C(C)C ZINC000004969146 385181240 /nfs/dbraw/zinc/18/12/40/385181240.db2.gz OLVYDAARIPRNND-LBPRGKRZSA-N 1 0 242.363 1.400 40 0 BDABRO C[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000062622702 385178548 /nfs/dbraw/zinc/17/85/48/385178548.db2.gz UUSQWCBNKSIHEC-NSHDSACASA-N 1 0 247.342 1.187 40 0 BDABRO Cn1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC000020445716 385213384 /nfs/dbraw/zinc/21/33/84/385213384.db2.gz WVQJXLTUCZSZCQ-UHFFFAOYSA-N 1 0 205.183 1.085 40 0 BDABRO O=C1[C@H]2CC[C@H]([NH+]3CCOCC3)[C@@H]1CCCC2 ZINC000045027879 385236298 /nfs/dbraw/zinc/23/62/98/385236298.db2.gz SNFCONHORNRIMQ-AGIUHOORSA-N 1 0 237.343 1.857 40 0 BDABRO [NH3+][C@H]1CCCc2c1ccc(=O)n2CC1CC1 ZINC000096510621 385245334 /nfs/dbraw/zinc/24/53/34/385245334.db2.gz MFVZJOSTTMZRIB-NSHDSACASA-N 1 0 218.300 1.594 40 0 BDABRO Cn1c2c(ccc1=O)[C@@H]([NH3+])CC(C)(C)C2 ZINC000096509749 385247215 /nfs/dbraw/zinc/24/72/15/385247215.db2.gz KZNKVQNZEYGPGJ-VIFPVBQESA-N 1 0 206.289 1.358 40 0 BDABRO FC(F)(F)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000096511142 385250125 /nfs/dbraw/zinc/25/01/25/385250125.db2.gz QVNRNQDCWQTXBA-LURJTMIESA-N 1 0 220.198 1.221 40 0 BDABRO CCN1c2ccccc2C(=O)N[C@@]12CCC[NH2+]C2 ZINC000096516594 385259661 /nfs/dbraw/zinc/25/96/61/385259661.db2.gz KBNCYYRIZHSZCE-AWEZNQCLSA-N 1 0 245.326 1.336 40 0 BDABRO [NH3+]C[C@H]1CCCCN1Cc1[nH]nc2c1CCCC2 ZINC000096523572 385269160 /nfs/dbraw/zinc/26/91/60/385269160.db2.gz UYYMKOQPOXCKJZ-LLVKDONJSA-N 1 0 248.374 1.602 40 0 BDABRO CSCC[C@@H]([NH3+])CN1CCCCCC1 ZINC000096523855 385269174 /nfs/dbraw/zinc/26/91/74/385269174.db2.gz NRNUYOIZDFSDNH-LLVKDONJSA-N 1 0 216.394 1.943 40 0 BDABRO Cc1ccc(C)c(N2CCN(C[C@H](C)[NH3+])CC2)c1 ZINC000096523923 385272269 /nfs/dbraw/zinc/27/22/69/385272269.db2.gz HPWRWWOGSNBPTI-AWEZNQCLSA-N 1 0 247.386 1.773 40 0 BDABRO [NH3+]CCn1nccc1-c1ccc(F)cc1 ZINC000096527681 385272639 /nfs/dbraw/zinc/27/26/39/385272639.db2.gz MBHNJWLAWVTEAP-UHFFFAOYSA-N 1 0 205.236 1.648 40 0 BDABRO Cc1ccc(N2CC[C@H](OCCC[NH3+])C2)cc1 ZINC000096528370 385274632 /nfs/dbraw/zinc/27/46/32/385274632.db2.gz IZPMRJZZJGRWTG-AWEZNQCLSA-N 1 0 234.343 1.939 40 0 BDABRO CC[C@H]([C@@H]([NH3+])c1cccc(F)c1)S(C)(=O)=O ZINC000096524898 385277427 /nfs/dbraw/zinc/27/74/27/385277427.db2.gz RUEODEQCTMMNTB-MNOVXSKESA-N 1 0 245.319 1.649 40 0 BDABRO CC[C@H]([C@@H]([NH3+])c1ccccc1C)S(C)(=O)=O ZINC000096524902 385277671 /nfs/dbraw/zinc/27/76/71/385277671.db2.gz QZDWTXYMANREPD-NEPJUHHUSA-N 1 0 241.356 1.818 40 0 BDABRO COC(=O)[C@]1(Nc2ccccc2)CC[NH2+]C[C@@H]1C ZINC000168916016 385391800 /nfs/dbraw/zinc/39/18/00/385391800.db2.gz PPYCOHQKAGCQAR-FZMZJTMJSA-N 1 0 248.326 1.640 40 0 BDABRO CCC[C@H]([NH3+])CN1CCN(c2ccccc2)CC1 ZINC000036873526 385587867 /nfs/dbraw/zinc/58/78/67/385587867.db2.gz DGMHJCNMJBCORC-AWEZNQCLSA-N 1 0 247.386 1.936 40 0 BDABRO COc1ccc(OC)c([C@@H]2C[C@]2(C[NH3+])CO)c1 ZINC000062713394 385696008 /nfs/dbraw/zinc/69/60/08/385696008.db2.gz YECZMYYTOKQJNL-AAEUAGOBSA-N 1 0 237.299 1.129 40 0 BDABRO COc1ccc([C@H]2C[C@@]2(C[NH3+])CO)cc1OC ZINC000062713402 385696599 /nfs/dbraw/zinc/69/65/99/385696599.db2.gz AWXFMNQIYDUJFS-ZWNOBZJWSA-N 1 0 237.299 1.129 40 0 BDABRO CCN(CC)c1ccc([C@H]2C[C@]2(C[NH3+])CO)cc1 ZINC000062713433 385698132 /nfs/dbraw/zinc/69/81/32/385698132.db2.gz PBYWNARSXHOGLV-CABCVRRESA-N 1 0 248.370 1.958 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@@H]1c1c(F)cccc1Cl ZINC000062713513 385698870 /nfs/dbraw/zinc/69/88/70/385698870.db2.gz OOIYCSVCKAYPSO-HQJQHLMTSA-N 1 0 229.682 1.904 40 0 BDABRO [NH3+][C@H]1CC12CN(C(=O)OCc1ccccc1)C2 ZINC000255187159 385713515 /nfs/dbraw/zinc/71/35/15/385713515.db2.gz BOVLHBOVUMCVOW-NSHDSACASA-N 1 0 232.283 1.356 40 0 BDABRO Cc1cc(C)nc(C[C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000257258229 385757488 /nfs/dbraw/zinc/75/74/88/385757488.db2.gz KSXDFHXVIKOTOI-ZDUSSCGKSA-N 1 0 249.358 1.340 40 0 BDABRO C[NH+]1CC2(C1)CO[C@@H](Cc1ccccc1)C2 ZINC000257269018 385759206 /nfs/dbraw/zinc/75/92/06/385759206.db2.gz MOFHBQHXISGRCF-ZDUSSCGKSA-N 1 0 217.312 1.950 40 0 BDABRO Cc1nc(-c2cc[nH]n2)cc([C@@H]2CCC[N@H+]2C)n1 ZINC000257288265 385760500 /nfs/dbraw/zinc/76/05/00/385760500.db2.gz PTOIGZNPTUKUIA-ZDUSSCGKSA-N 1 0 243.314 1.942 40 0 BDABRO Cc1cc(-c2cc[nH]n2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000257322835 385764571 /nfs/dbraw/zinc/76/45/71/385764571.db2.gz WHPLLANAHBDEIY-JTQLQIEISA-N 1 0 243.314 1.642 40 0 BDABRO CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096058542 385904503 /nfs/dbraw/zinc/90/45/03/385904503.db2.gz HYKZZTGDQZWUCC-MNOVXSKESA-N 1 0 210.321 1.530 40 0 BDABRO Cc1ccc([C@@H]2[C@H](C[NH3+])[C@@H]2S(C)(=O)=O)cc1 ZINC000218250428 385867682 /nfs/dbraw/zinc/86/76/82/385867682.db2.gz HMWLFUBGCFWOGW-TUAOUCFPSA-N 1 0 239.340 1.080 40 0 BDABRO Cn1cc([C@@H]2COC3(C2)CC[NH2+]CC3)cn1 ZINC000306133589 385992939 /nfs/dbraw/zinc/99/29/39/385992939.db2.gz MQHCBVNFCVPRMI-JTQLQIEISA-N 1 0 221.304 1.046 40 0 BDABRO Cc1ccc(OC[C@@H](O)C[NH2+]C2CC2)cc1 ZINC000032013891 385970209 /nfs/dbraw/zinc/97/02/09/385970209.db2.gz KBIBJYVJLZKCSO-LBPRGKRZSA-N 1 0 221.300 1.487 40 0 BDABRO CC(C)[C@H]([NH3+])c1nc2ccccc2n1CCO ZINC000037900705 386103155 /nfs/dbraw/zinc/10/31/55/386103155.db2.gz SFWGKDRDTHHZGC-LBPRGKRZSA-N 1 0 233.315 1.684 40 0 BDABRO C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000038121132 386124033 /nfs/dbraw/zinc/12/40/33/386124033.db2.gz SGAFQEZVAXFISU-JTQLQIEISA-N 1 0 244.132 1.876 40 0 BDABRO [NH3+]Cc1cnccc1N1CCCCCC1 ZINC000088114705 386825833 /nfs/dbraw/zinc/82/58/33/386825833.db2.gz IPRDDOXHJQMPIV-UHFFFAOYSA-N 1 0 205.305 1.921 40 0 BDABRO CC[C@@H](C)Nc1nc(NC)cc(C2CC2)[nH+]1 ZINC000329013986 386880226 /nfs/dbraw/zinc/88/02/26/386880226.db2.gz MTDPIXLPZJWNMA-MRVPVSSYSA-N 1 0 220.320 1.450 40 0 BDABRO COc1ccccc1[C@H]1C[N@H+](C)C[C@H]1CO ZINC000242648367 386950402 /nfs/dbraw/zinc/95/04/02/386950402.db2.gz QUNRHFORAMKQMF-JQWIXIFHSA-N 1 0 221.300 1.333 40 0 BDABRO Cc1cc(C(=O)N2C[C@H]3CC[NH2+][C@H]3C2)c(C)o1 ZINC000096054067 387016021 /nfs/dbraw/zinc/01/60/21/387016021.db2.gz KLBVNGWDSUVJKZ-PWSUYJOCSA-N 1 0 234.299 1.330 40 0 BDABRO CCN1c2ccc(OCC[NH3+])cc2CCC1=O ZINC000218792116 387023197 /nfs/dbraw/zinc/02/31/97/387023197.db2.gz XJOQMNIHLWMUNM-UHFFFAOYSA-N 1 0 234.299 1.323 40 0 BDABRO Cc1ccc(N2C[C@]3(CC[NH2+]C3)CC2=O)cc1 ZINC000096239424 387024669 /nfs/dbraw/zinc/02/46/69/387024669.db2.gz ZHJCOBGNRSKWFM-CQSZACIVSA-N 1 0 230.311 1.711 40 0 BDABRO c1csc(CN2CC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000096249224 387026633 /nfs/dbraw/zinc/02/66/33/387026633.db2.gz QJEQDJYDJNMIBW-ZJUUUORDSA-N 1 0 223.345 1.327 40 0 BDABRO c1csc(CN2CC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000096249223 387026811 /nfs/dbraw/zinc/02/68/11/387026811.db2.gz QJEQDJYDJNMIBW-UWVGGRQHSA-N 1 0 223.345 1.327 40 0 BDABRO O=C(CC[C@H]1CCCC[NH2+]1)N1CCCC1 ZINC000050931136 387356867 /nfs/dbraw/zinc/35/68/67/387356867.db2.gz VIOMABWZLFDNOS-LLVKDONJSA-N 1 0 210.321 1.531 40 0 BDABRO c1cncc(-c2nnc([C@H]3CC[NH2+]C3)o2)c1 ZINC000049169634 387420503 /nfs/dbraw/zinc/42/05/03/387420503.db2.gz QRJVLGBTAPYMIM-VIFPVBQESA-N 1 0 216.244 1.209 40 0 biogenic,in-vitro BDABRO [NH3+][C@H]1C2CCN(CC2)[C@H]1Cc1ccccc1 ZINC000138644401 387705338 /nfs/dbraw/zinc/70/53/38/387705338.db2.gz XPPMDYURPXXBHC-KBPBESRZSA-N 1 0 216.328 1.651 40 0 BDABRO CCCn1nccc1C[NH2+]C[C@H]1CCCO1 ZINC000164827478 387853553 /nfs/dbraw/zinc/85/35/53/387853553.db2.gz PKDRQSZUTPBJDQ-GFCCVEGCSA-N 1 0 223.320 1.562 40 0 BDABRO CCCn1cc(C[NH2+]CCCCO)c(C)n1 ZINC000256052891 387860292 /nfs/dbraw/zinc/86/02/92/387860292.db2.gz PBQDUECIDWCBPH-UHFFFAOYSA-N 1 0 225.336 1.464 40 0 BDABRO CC[NH+](CC)CCNCc1ccnn1C(C)C ZINC000256054344 387862868 /nfs/dbraw/zinc/86/28/68/387862868.db2.gz VYDDEEDKKHUBQP-UHFFFAOYSA-N 1 0 238.379 1.895 40 0 BDABRO CN[C@H](C[NH3+])c1cccc(Br)c1 ZINC000050269851 387954623 /nfs/dbraw/zinc/95/46/23/387954623.db2.gz WPDPRPXAAYBHCN-SECBINFHSA-N 1 0 229.121 1.668 40 0 BDABRO [NH3+][C@H]1CC[C@H](Nc2ncc(F)cn2)CC1 ZINC000242464124 387937764 /nfs/dbraw/zinc/93/77/64/387937764.db2.gz DWNUAKHSEZZGED-KYZUINATSA-N 1 0 210.256 1.298 40 0 BDABRO C[C@@H]([NH2+]C1CCN(C)CC1)[C@@H]1CCOC1 ZINC000132238625 388357986 /nfs/dbraw/zinc/35/79/86/388357986.db2.gz YWOUFBRDUWRXKT-GHMZBOCLSA-N 1 0 212.337 1.095 40 0 BDABRO CCCC[C@@H]1C[C@H](OCCOCC)C[NH2+]1 ZINC000217861893 388383186 /nfs/dbraw/zinc/38/31/86/388383186.db2.gz RYGWORIXCFPDHY-NEPJUHHUSA-N 1 0 215.337 1.960 40 0 BDABRO CCS(=O)(=O)[C@H]1[C@@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000218026238 388385637 /nfs/dbraw/zinc/38/56/37/388385637.db2.gz MAIWNDTZASVJOM-SRVKXCTJSA-N 1 0 239.340 1.162 40 0 BDABRO C[C@](O)(C1CCCCC1)[C@H]1C[NH2+]CCO1 ZINC000242575018 388399723 /nfs/dbraw/zinc/39/97/23/388399723.db2.gz NOVWYCUQKFQOHT-NEPJUHHUSA-N 1 0 213.321 1.306 40 0 BDABRO Cc1ccc(OC[C@@H]2CCC[NH2+]C2)nc1 ZINC000040434903 388415262 /nfs/dbraw/zinc/41/52/62/388415262.db2.gz FMSXJKKCUGNVCA-LLVKDONJSA-N 1 0 206.289 1.768 40 0 BDABRO Fc1cccc(CN[C@H]2CCC[NH2+]C2)c1 ZINC000095067824 388591019 /nfs/dbraw/zinc/59/10/19/388591019.db2.gz SRKONTQQZJMAAS-LBPRGKRZSA-N 1 0 208.280 1.667 40 0 BDABRO COc1ccc(O[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000022563973 388611423 /nfs/dbraw/zinc/61/14/23/388611423.db2.gz WRLFRAGTAHLNMV-NWDGAFQWSA-N 1 0 207.273 1.954 40 0 BDABRO c1csc(CN2CC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000107254787 388615902 /nfs/dbraw/zinc/61/59/02/388615902.db2.gz QJEQDJYDJNMIBW-VHSXEESVSA-N 1 0 223.345 1.327 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccc(F)cc1 ZINC000242390144 388580677 /nfs/dbraw/zinc/58/06/77/388580677.db2.gz AAMDSQYMUNGGNR-NWDGAFQWSA-N 1 0 237.274 1.644 40 0 BDABRO CCOC[C@@H]1C[NH2+]Cc2cn(CC3CC3)nc21 ZINC000107491093 388616806 /nfs/dbraw/zinc/61/68/06/388616806.db2.gz IDTGVFZUBURNPN-LBPRGKRZSA-N 1 0 235.331 1.516 40 0 BDABRO [NH3+]CCc1cnc(-c2ccncc2)s1 ZINC000057493239 388626458 /nfs/dbraw/zinc/62/64/58/388626458.db2.gz ZEBBJUOZPXTEPE-UHFFFAOYSA-N 1 0 205.286 1.706 40 0 BDABRO CCOC[C@@H]1C[NH2+]Cc2c1cnn2CC ZINC000306130972 388628982 /nfs/dbraw/zinc/62/89/82/388628982.db2.gz JTUKSMDXUNGVDN-VIFPVBQESA-N 1 0 209.293 1.126 40 0 BDABRO Cn1cc2c(n1)C[NH2+]C[C@@H]2COCC1CC1 ZINC000306139719 388629714 /nfs/dbraw/zinc/62/97/14/388629714.db2.gz TYFKIEJMRXXIDH-SNVBAGLBSA-N 1 0 221.304 1.034 40 0 BDABRO Cc1cc(C[NH3+])ccc1N1CCCCC1=O ZINC000008549166 388652445 /nfs/dbraw/zinc/65/24/45/388652445.db2.gz NCGYVRSQHOGTSG-UHFFFAOYSA-N 1 0 218.300 1.971 40 0 BDABRO CSc1ncc(C[NH2+]CCCCO)cn1 ZINC000062717264 388655869 /nfs/dbraw/zinc/65/58/69/388655869.db2.gz RERCRXOCCBLKLL-UHFFFAOYSA-N 1 0 227.333 1.061 40 0 BDABRO CSCC[C@@H]([NH3+])C(=O)N1CCC(C)CC1 ZINC000062725427 388655960 /nfs/dbraw/zinc/65/59/60/388655960.db2.gz RNOLAUHHHOSLGW-SNVBAGLBSA-N 1 0 230.377 1.325 40 0 BDABRO CCNc1ncc(C[NH2+]Cc2ccncc2)cn1 ZINC000062717564 388655986 /nfs/dbraw/zinc/65/59/86/388655986.db2.gz PHJXMFDGNWTLLJ-UHFFFAOYSA-N 1 0 243.314 1.593 40 0 BDABRO C(C[NH+]1CCCC1)c1nnc(C2CC2)[nH]1 ZINC000062719446 388656527 /nfs/dbraw/zinc/65/65/27/388656527.db2.gz JZYDCXNKQXBZBX-UHFFFAOYSA-N 1 0 206.293 1.320 40 0 BDABRO c1nc(NC[C@@H]2CCC[NH2+]C2)cc(NC2CC2)n1 ZINC000079439417 388695904 /nfs/dbraw/zinc/69/59/04/388695904.db2.gz YAYOYULBJZUGTM-SNVBAGLBSA-N 1 0 247.346 1.462 40 0 BDABRO c1nc(NC[C@H]2CCC[NH2+]C2)cc(NC2CC2)n1 ZINC000079439421 388696074 /nfs/dbraw/zinc/69/60/74/388696074.db2.gz YAYOYULBJZUGTM-JTQLQIEISA-N 1 0 247.346 1.462 40 0 BDABRO C[NH2+][C@H]1CCCN(CC(=O)c2cccs2)C1 ZINC000079438636 388696284 /nfs/dbraw/zinc/69/62/84/388696284.db2.gz VPKVISDAJWQYMT-JTQLQIEISA-N 1 0 238.356 1.615 40 0 BDABRO CNc1nc([C@@H]2CC[NH2+]C2)c2sccn12 ZINC000257278031 388698068 /nfs/dbraw/zinc/69/80/68/388698068.db2.gz OAMIVFGPMCFYND-SSDOTTSWSA-N 1 0 222.317 1.514 40 0 BDABRO c1ncc(C[C@H]2CC3(CO2)CC[NH2+]CC3)cn1 ZINC000257223479 388698930 /nfs/dbraw/zinc/69/89/30/388698930.db2.gz DXNOEWKTFAJFNK-LBPRGKRZSA-N 1 0 233.315 1.178 40 0 BDABRO COc1ccc([C@]2(C)C[NH2+]CCO2)cc1 ZINC000011803673 388710164 /nfs/dbraw/zinc/71/01/64/388710164.db2.gz BYOVTHPRQFMBDG-LBPRGKRZSA-N 1 0 207.273 1.530 40 0 BDABRO Cc1ccc(CN2CCC[NH2+]CC2)cc1F ZINC000069625675 388724688 /nfs/dbraw/zinc/72/46/88/388724688.db2.gz LHORNKHMDQIFFS-UHFFFAOYSA-N 1 0 222.307 1.929 40 0 BDABRO C[NH+](C)CCn1ncc2cnc(Cl)nc21 ZINC000095097379 388759839 /nfs/dbraw/zinc/75/98/39/388759839.db2.gz WQOQOXFYAFRKME-UHFFFAOYSA-N 1 0 225.683 1.041 40 0 BDABRO CC[NH+]1CCN(c2ccc(N)cc2OC)CC1 ZINC000057367225 132301346 /nfs/dbraw/zinc/30/13/46/132301346.db2.gz RRQFIWHHLKDSTG-UHFFFAOYSA-N 1 0 235.331 1.419 40 0 BDABRO Cc1csc2ncnc(N3CC[NH2+]CC3)c12 ZINC000015021062 132322561 /nfs/dbraw/zinc/32/25/61/132322561.db2.gz BNBQFFKHNHLIKJ-UHFFFAOYSA-N 1 0 234.328 1.409 40 0 BDABRO CC(C)[NH+]1CCN(c2ccc(N)nc2)CC1 ZINC000035367747 132338216 /nfs/dbraw/zinc/33/82/16/132338216.db2.gz GAPKLZRRWLERHL-UHFFFAOYSA-N 1 0 220.320 1.194 40 0 BDABRO COC(=O)c1ccc(N2CC[NH2+]C[C@H]2C)cc1 ZINC000039952480 132347105 /nfs/dbraw/zinc/34/71/05/132347105.db2.gz VBZAHOUQJUGYHM-SNVBAGLBSA-N 1 0 234.299 1.271 40 0 BDABRO C[NH2+]C1CCN(c2ccc(Cl)nn2)CC1 ZINC000072221018 132396491 /nfs/dbraw/zinc/39/64/91/132396491.db2.gz OBEAATUNSBSLHA-UHFFFAOYSA-N 1 0 226.711 1.318 40 0 BDABRO O=C(CC[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000095095612 133571358 /nfs/dbraw/zinc/57/13/58/133571358.db2.gz KZIMAPNGMGJOMM-LLVKDONJSA-N 1 0 210.321 1.531 40 0 BDABRO CC(C)[NH2+]CC1(COC2CCOCC2)CC1 ZINC000217796739 167099084 /nfs/dbraw/zinc/09/90/84/167099084.db2.gz KYFMWHZDEBUVIO-UHFFFAOYSA-N 1 0 227.348 1.960 40 0 BDABRO CC(C)C[NH2+][C@@H]1[C@@H](c2ccccc2)C[C@@H](O)[C@H]1O ZINC000072321652 167015670 /nfs/dbraw/zinc/01/56/70/167015670.db2.gz ZCRLYGGQCYNLKZ-KBUPBQIOSA-N 1 0 249.354 1.510 40 0 biogenic,in-vitro BDABRO CC1=[N+](CCS(C)(=O)=O)[C@@H](C)CCC1 ZINC000001662144 168138323 /nfs/dbraw/zinc/13/83/23/168138323.db2.gz CEDNCFYVPKDENL-VIFPVBQESA-N 1 0 218.342 1.077 40 0 BDABRO CC1CC(C[NH3+])([C@@H](O)c2cccnc2)C1 ZINC000085396216 168139507 /nfs/dbraw/zinc/13/95/07/168139507.db2.gz DRSHYXKSVPUBHS-ZYXZCXLHSA-N 1 0 206.289 1.490 40 0 BDABRO CCNc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329018383 170041352 /nfs/dbraw/zinc/04/13/52/170041352.db2.gz NREYQTZHJRMPDT-UHFFFAOYSA-N 1 0 220.320 1.450 40 0 BDABRO CCNc1cc(C2CC2)[nH+]c(N[C@H](C)CC)n1 ZINC000329072571 170041427 /nfs/dbraw/zinc/04/14/27/170041427.db2.gz ZZXUZOKAQYXMAE-SECBINFHSA-N 1 0 234.347 1.840 40 0 BDABRO CC[NH2+][C@@H]1C(C)=N[C@H]2C[C@@H](C(=O)OC)CC[C@H]21 ZINC000096305878 170149418 /nfs/dbraw/zinc/14/94/18/170149418.db2.gz PLYJHDWWKOTOCG-WHOHXGKFSA-N 1 0 238.331 1.397 40 0 BDABRO CCNc1ccnc(O[C@@H]2CCC[NH2+]C2)n1 ZINC000091351857 170175640 /nfs/dbraw/zinc/17/56/40/170175640.db2.gz VRUVNRRSJWBJJT-SECBINFHSA-N 1 0 222.292 1.039 40 0 BDABRO CCOC(=O)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000001710339 170256059 /nfs/dbraw/zinc/25/60/59/170256059.db2.gz GQEDVMVEVIKYGN-MWLCHTKSSA-N 1 0 207.273 1.681 40 0 BDABRO CCOCCCN1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000218830476 170373856 /nfs/dbraw/zinc/37/38/56/170373856.db2.gz KZKNJYKAMVANNE-QWHCGFSZSA-N 1 0 226.364 1.629 40 0 BDABRO CC[C@@H]1c2cccn2CCN1C(=O)C[NH+](C)C ZINC000072368186 171162155 /nfs/dbraw/zinc/16/21/55/171162155.db2.gz GUKWIRDEILNMIK-LLVKDONJSA-N 1 0 235.331 1.343 40 0 BDABRO CC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1F ZINC000006440690 171342090 /nfs/dbraw/zinc/34/20/90/171342090.db2.gz QDPQIXRPGZNCHF-QWRGUYRKSA-N 1 0 241.306 1.954 40 0 BDABRO CCc1noc(-c2cc([C@H]3CCC[NH2+]C3)[nH]n2)n1 ZINC000096516114 172071787 /nfs/dbraw/zinc/07/17/87/172071787.db2.gz LUEYNLPTAFLMIE-QMMMGPOBSA-N 1 0 247.302 1.489 40 0 BDABRO CCc1noc(C)c1[C@@H]1CCCN1CC[NH3+] ZINC000022763010 172082284 /nfs/dbraw/zinc/08/22/84/172082284.db2.gz KRNAMEUECSAYOV-NSHDSACASA-N 1 0 223.320 1.641 40 0 BDABRO CCn1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)n1 ZINC000096511443 172200443 /nfs/dbraw/zinc/20/04/43/172200443.db2.gz YONBPCMHXJKAOA-QMMMGPOBSA-N 1 0 233.275 1.378 40 0 BDABRO CCn1nccc1CN1CCCC[C@@H]1C[NH3+] ZINC000096523612 172265886 /nfs/dbraw/zinc/26/58/86/172265886.db2.gz PPVWMWDODPODLH-LLVKDONJSA-N 1 0 222.336 1.216 40 0 BDABRO C[NH+](C)C[C@@]1(C)Cc2ccsc2[C@H]1O ZINC000001615697 172491895 /nfs/dbraw/zinc/49/18/95/172491895.db2.gz FQCISXOVQQDYON-GHMZBOCLSA-N 1 0 211.330 1.906 40 0 BDABRO C[NH+]1CCC(C(=O)NCc2cccnc2)CC1 ZINC000074707341 172982436 /nfs/dbraw/zinc/98/24/36/172982436.db2.gz ODEQLRVSSOOHGZ-UHFFFAOYSA-N 1 0 233.315 1.040 40 0 BDABRO CN1CCCC[C@@H](C2CC[NH2+]CC2)C1=O ZINC000257332743 173005324 /nfs/dbraw/zinc/00/53/24/173005324.db2.gz XYMFVHGFUQPFGI-NSHDSACASA-N 1 0 210.321 1.245 40 0 BDABRO C[N@@H+]1CCCC[C@]12CCN(C(=O)c1ccco1)C2 ZINC000096203129 173010125 /nfs/dbraw/zinc/01/01/25/173010125.db2.gz QQALKFDNJNHNIE-CQSZACIVSA-N 1 0 248.326 1.980 40 0 BDABRO Cn1nc([C@H]2CCC[N@H+](C)C2)c2nccnc21 ZINC000072370020 173049152 /nfs/dbraw/zinc/04/91/52/173049152.db2.gz WRGQFIMYCVFSQY-VIFPVBQESA-N 1 0 231.303 1.173 40 0 BDABRO CN1CC[NH+](Cc2ccc(N)cc2C2CC2)CC1 ZINC000071256239 173086923 /nfs/dbraw/zinc/08/69/23/173086923.db2.gz YJKGTUQPAYJZAG-UHFFFAOYSA-N 1 0 245.370 1.894 40 0 BDABRO C[NH+]1CCN(c2ccc(C(N)=S)cc2)CC1 ZINC000019866560 173094462 /nfs/dbraw/zinc/09/44/62/173094462.db2.gz GYJRSAILKVORJT-UHFFFAOYSA-N 1 0 235.356 1.073 40 0 BDABRO C[N@@H+]1CC[C@@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 ZINC000257270598 173117489 /nfs/dbraw/zinc/11/74/89/173117489.db2.gz MUWLPKMTSYMXIH-JTQLQIEISA-N 1 0 243.314 1.361 40 0 BDABRO CN1C[C@@H](c2cccc(Cl)c2)[C@H]([NH3+])C1 ZINC000074150680 173182656 /nfs/dbraw/zinc/18/26/56/173182656.db2.gz JTOBATWTMMBNKW-WDEREUQCSA-N 1 0 210.708 1.696 40 0 BDABRO CN1C[C@H]([NH3+])[C@H](c2c(F)cccc2Cl)C1 ZINC000217661593 173192722 /nfs/dbraw/zinc/19/27/22/173192722.db2.gz ITSXIPBLAYMTCS-XCBNKYQSSA-N 1 0 228.698 1.835 40 0 BDABRO Cn1cc2[nH]c([C@H]3CCC[NH2+]3)ccc-2c1=O ZINC000257197468 173202731 /nfs/dbraw/zinc/20/27/31/173202731.db2.gz AHQGQLZLXQBFRD-SECBINFHSA-N 1 0 217.272 1.092 40 0 BDABRO CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000026895579 173308253 /nfs/dbraw/zinc/30/82/53/173308253.db2.gz FXFVVDRBBMRQTI-LBPRGKRZSA-N 1 0 218.300 1.255 40 0 BDABRO C[NH2+]CC(=O)Nc1cc(C)ccc1OC ZINC000019482439 173332412 /nfs/dbraw/zinc/33/24/12/173332412.db2.gz GCNLXWUYDZDAAO-UHFFFAOYSA-N 1 0 208.261 1.162 40 0 BDABRO C[NH2+]C[C@H](OC)c1ccc(OC)cc1OC ZINC000062711453 173378157 /nfs/dbraw/zinc/37/81/57/173378157.db2.gz RPUYBMBPOGKNEI-LBPRGKRZSA-N 1 0 225.288 1.611 40 0 BDABRO C[NH2+]C[C@H]1COCCN1Cc1ccccc1 ZINC000130758043 173382925 /nfs/dbraw/zinc/38/29/25/173382925.db2.gz GBPHWIAVLZADAK-ZDUSSCGKSA-N 1 0 220.316 1.107 40 0 BDABRO CNc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000072343750 173473702 /nfs/dbraw/zinc/47/37/02/173473702.db2.gz NBXVUCSKAWURLW-UHFFFAOYSA-N 1 0 206.293 1.294 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)cc1 ZINC000067173374 173822567 /nfs/dbraw/zinc/82/25/67/173822567.db2.gz FNKALRYQAVQRDR-NEPJUHHUSA-N 1 0 219.284 1.471 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccccc1Cl ZINC000008699270 173823161 /nfs/dbraw/zinc/82/31/61/173823161.db2.gz SLESECKAUTVEET-UWVGGRQHSA-N 1 0 239.702 1.816 40 0 BDABRO COCCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000256052389 174247972 /nfs/dbraw/zinc/24/79/72/174247972.db2.gz NDERQUYNHMJMSQ-UHFFFAOYSA-N 1 0 225.336 1.899 40 0 BDABRO COCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072357044 174307156 /nfs/dbraw/zinc/30/71/56/174307156.db2.gz ONRMONHXZDWTEG-SNVBAGLBSA-N 1 0 209.293 1.236 40 0 BDABRO COCC[N@@H+]1CC[C@@H](Cc2ccc(C)cn2)C1 ZINC000072381573 174312315 /nfs/dbraw/zinc/31/23/15/174312315.db2.gz MYHSIINILPTVAP-ZDUSSCGKSA-N 1 0 234.343 1.901 40 0 BDABRO COCC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219055 174333374 /nfs/dbraw/zinc/33/33/74/174333374.db2.gz TXWMAVGHHLPLAM-SECBINFHSA-N 1 0 217.309 1.200 40 0 BDABRO COc1cc(OC)cc([C@@H](C[NH3+])N(C)C)c1 ZINC000019840951 175010854 /nfs/dbraw/zinc/01/08/54/175010854.db2.gz PNLALFCIGYSPLK-GFCCVEGCSA-N 1 0 224.304 1.265 40 0 BDABRO COc1cc2c(cc1CC[NH3+])O[C@@H](C)C2 ZINC000004426136 175021767 /nfs/dbraw/zinc/02/17/67/175021767.db2.gz TWKGIXJQIPBPSA-QMMMGPOBSA-N 1 0 207.273 1.520 40 0 BDABRO COc1ccc(C2(C[NH3+])CCOCC2)nc1 ZINC000075090133 175084231 /nfs/dbraw/zinc/08/42/31/175084231.db2.gz CTYFSOQJQVOKJH-UHFFFAOYSA-N 1 0 222.288 1.097 40 0 BDABRO COc1ccc(CN(CC[NH3+])C(C)C)cc1 ZINC000032014355 175097861 /nfs/dbraw/zinc/09/78/61/175097861.db2.gz RTWFPGPICCYIOP-UHFFFAOYSA-N 1 0 222.332 1.864 40 0 BDABRO COc1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218872137 175112089 /nfs/dbraw/zinc/11/20/89/175112089.db2.gz QSSMZORTYZYQMX-STQMWFEESA-N 1 0 220.316 1.665 40 0 BDABRO COc1ccc(OC)c(N[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000218880292 175167414 /nfs/dbraw/zinc/16/74/14/175167414.db2.gz DUQITFNAVYQLPW-GHMZBOCLSA-N 1 0 236.315 1.996 40 0 BDABRO COc1ccc([C@H]2CN(C)C[C@H]2[NH3+])cc1OC ZINC000082331249 175195438 /nfs/dbraw/zinc/19/54/38/175195438.db2.gz IKTSEWAJPWGXLC-GHMZBOCLSA-N 1 0 236.315 1.060 40 0 BDABRO COc1ccc([C@H]2C[C@@]2(C[NH3+])CO)cc1 ZINC000062713319 175197949 /nfs/dbraw/zinc/19/79/49/175197949.db2.gz BDUWDTAIMSONOZ-VXGBXAGGSA-N 1 0 207.273 1.120 40 0 BDABRO COc1ccc2c(c1)[nH]cc2C1(O)CC[NH2+]CC1 ZINC000001618607 175204810 /nfs/dbraw/zinc/20/48/10/175204810.db2.gz QNDSCDZSZHZARY-UHFFFAOYSA-N 1 0 246.310 1.748 40 0 BDABRO COc1ccc2c(c1)C1(CC[NH2+]CC1)OC2 ZINC000096029489 175206479 /nfs/dbraw/zinc/20/64/79/175206479.db2.gz NWIYXNHFAZIGDB-UHFFFAOYSA-N 1 0 219.284 1.804 40 0 BDABRO COc1cccc(-c2nnc([C@@H](C)[NH3+])[nH]2)c1 ZINC000061843965 175236611 /nfs/dbraw/zinc/23/66/11/175236611.db2.gz JUDRZEHOURQZJC-SSDOTTSWSA-N 1 0 218.260 1.500 40 0 BDABRO COc1cccc([C@@H]2C[N@H+](C)C[C@@H]2CO)c1 ZINC000217673654 175291019 /nfs/dbraw/zinc/29/10/19/175291019.db2.gz PXVHDGQRKTXDLF-YPMHNXCESA-N 1 0 221.300 1.333 40 0 BDABRO COc1ccccc1-c1nc(C[NH3+])co1 ZINC000057492220 175311230 /nfs/dbraw/zinc/31/12/30/175311230.db2.gz TXBCINNTTCDAHN-UHFFFAOYSA-N 1 0 204.229 1.809 40 0 BDABRO COc1ccccc1-c1n[nH]c([C@@H](C)[NH3+])n1 ZINC000082510291 175311278 /nfs/dbraw/zinc/31/12/78/175311278.db2.gz AYTGYOATPQRWHS-SSDOTTSWSA-N 1 0 218.260 1.500 40 0 BDABRO COc1ccccc1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000054370275 175317521 /nfs/dbraw/zinc/31/75/21/175317521.db2.gz YTSWVXNGUXDISA-JTQLQIEISA-N 1 0 234.299 1.129 40 0 BDABRO COc1ccccc1[C@H]1C[C@@]1(C[NH3+])CO ZINC000062713341 175355119 /nfs/dbraw/zinc/35/51/19/175355119.db2.gz AASXMIXJNPBOHJ-ZYHUDNBSSA-N 1 0 207.273 1.120 40 0 BDABRO C[C@@H](Cc1ccc2c(c1)OCO2)[NH+](C)C ZINC000002564445 175772360 /nfs/dbraw/zinc/77/23/60/175772360.db2.gz JEJGUIDNYBAPGN-VIFPVBQESA-N 1 0 207.273 1.908 40 0 in-vitro BDABRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH3+] ZINC000037497108 176014298 /nfs/dbraw/zinc/01/42/98/176014298.db2.gz XDICKIMLZKPPHP-QMMMGPOBSA-N 1 0 210.252 1.304 40 0 BDABRO C[C@@H](c1ccccn1)[N@H+](CCO)C1CC1 ZINC000079421744 176027304 /nfs/dbraw/zinc/02/73/04/176027304.db2.gz UKWMZJHUYLTXTR-JTQLQIEISA-N 1 0 206.289 1.599 40 0 BDABRO C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000074713297 176090817 /nfs/dbraw/zinc/09/08/17/176090817.db2.gz JFUHNXHVPCJBJQ-LLVKDONJSA-N 1 0 224.348 1.587 40 0 BDABRO C[C@@H]1CCC[C@H](C(=O)N2CCCCCC2)[NH2+]1 ZINC000019425429 176135925 /nfs/dbraw/zinc/13/59/25/176135925.db2.gz PTALNMZSELWVIG-VXGBXAGGSA-N 1 0 224.348 1.920 40 0 BDABRO C[C@@H]1C[NH2+]CCN(Cc2ccccc2)C1 ZINC000049661283 176325296 /nfs/dbraw/zinc/32/52/96/176325296.db2.gz DELQSIXFTFPJOQ-GFCCVEGCSA-N 1 0 204.317 1.728 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccccc1F ZINC000054370296 176326435 /nfs/dbraw/zinc/32/64/35/176326435.db2.gz XRWAWVRXTNJFBT-SECBINFHSA-N 1 0 222.263 1.260 40 0 BDABRO C[C@H]1CCCC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000037388781 177088211 /nfs/dbraw/zinc/08/82/11/177088211.db2.gz ATXPKMUYJYYRAP-GXSJLCMTSA-N 1 0 210.321 1.433 40 0 BDABRO C[C@H]1CCCN(C(=O)C[C@H]2CCCC[NH2+]2)C1 ZINC000020597490 177092112 /nfs/dbraw/zinc/09/21/12/177092112.db2.gz IBOQKOXRFNFTOA-NWDGAFQWSA-N 1 0 224.348 1.777 40 0 BDABRO C[C@H]1CC[NH2+]C[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000117733723 177174241 /nfs/dbraw/zinc/17/42/41/177174241.db2.gz GEUGTHQTDCPAHY-UWVGGRQHSA-N 1 0 228.336 1.851 40 0 BDABRO C[C@H]1CN(Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000019366757 177265674 /nfs/dbraw/zinc/26/56/74/177265674.db2.gz HTDQGGNOPNSEKT-RYUDHWBXSA-N 1 0 204.317 1.869 40 0 BDABRO C[C@H]1C[NH2+]CCN1Cc1ccccc1F ZINC000041217535 177284795 /nfs/dbraw/zinc/28/47/95/177284795.db2.gz RKYOOCCUGSVQCL-JTQLQIEISA-N 1 0 208.280 1.619 40 0 BDABRO Cc1cc(Nc2nc(C)nc3c2CC[NH2+]C3)n[nH]1 ZINC000665887153 487955770 /nfs/dbraw/zinc/95/57/70/487955770.db2.gz VFWQTKRNCNIHIN-UHFFFAOYSA-N 1 0 244.302 1.206 40 0 BDABRO CC(C)CN1C(=O)C[C@H]([NH3+])[C@@H]1c1cccnc1 ZINC000062209892 323090908 /nfs/dbraw/zinc/09/09/08/323090908.db2.gz MZVMWXNKEYQFOP-AAEUAGOBSA-N 1 0 233.315 1.338 40 0 BDABRO Fc1cccc(CNC[C@H]2CCC[NH2+]2)c1 ZINC000072202926 487995093 /nfs/dbraw/zinc/99/50/93/487995093.db2.gz YDAFAKBGAQYRFL-GFCCVEGCSA-N 1 0 208.280 1.667 40 0 BDABRO CCc1cc([C@H]2CCCN2CC[NH3+])on1 ZINC000022763136 488051279 /nfs/dbraw/zinc/05/12/79/488051279.db2.gz ANCHKLVGXVQXHU-SNVBAGLBSA-N 1 0 209.293 1.333 40 0 BDABRO O=C1O[C@@]2(CC[NH2+]C2)CN1c1ccccc1 ZINC000140853437 487533490 /nfs/dbraw/zinc/53/34/90/487533490.db2.gz AEEZWDXGGCTFOH-GFCCVEGCSA-N 1 0 218.256 1.375 40 0 BDABRO CC[N@H+](CCO)[C@@H]1CCCC[C@H]1N(C)C ZINC000248057057 521124240 /nfs/dbraw/zinc/12/42/40/521124240.db2.gz OYDNNWKIHWGQAS-VXGBXAGGSA-N 1 0 214.353 1.173 40 0 BDABRO CC(C)(C)OC(=O)C[C@@H]([NH3+])c1cccnc1 ZINC000210764673 518797320 /nfs/dbraw/zinc/79/73/20/518797320.db2.gz CXAKFVVLZRZSGA-SNVBAGLBSA-N 1 0 222.288 1.813 40 0 BDABRO C[NH+](C)[C@H]1CC[C@H]([N@H+](CC(=O)[O-])C2CC2)CC1 ZINC000242495964 522105127 /nfs/dbraw/zinc/10/51/27/522105127.db2.gz GVNQGHAYNYPCDX-XYPYZODXSA-N 1 0 240.347 1.408 40 0 BDABRO COc1ccc(C=O)cc1OCC[NH+]1CCCC1 ZINC000011891705 523884795 /nfs/dbraw/zinc/88/47/95/523884795.db2.gz FFKGJXLIKDKOCA-UHFFFAOYSA-N 1 0 249.310 1.982 40 0 BDABRO COCC[NH2+]Cc1ccc(Cc2ccco2)[nH]1 ZINC000226021105 523951587 /nfs/dbraw/zinc/95/15/87/523951587.db2.gz JPCBIMFVTBZKKP-UHFFFAOYSA-N 1 0 234.299 1.935 40 0 BDABRO Fc1ccccc1C[C@H]1C[N@@H+]2CCC[C@H]2CN1 ZINC000039957309 526413679 /nfs/dbraw/zinc/41/36/79/526413679.db2.gz XGCFKMNGBPSTPU-STQMWFEESA-N 1 0 234.318 1.804 40 0 BDABRO CC[NH+](CC)CCOC(=O)c1cccc(N)c1 ZINC000001669882 535543230 /nfs/dbraw/zinc/54/32/30/535543230.db2.gz MJBPJVLUWNYUHH-UHFFFAOYSA-N 1 0 236.315 1.767 40 0 BDABRO CC(C)(C)OC(=O)NC1CCC([NH3+])CC1 ZINC001560405388 991467710 /nfs/dbraw/zinc/46/77/10/991467710.db2.gz VMBPLOGRQYIBAT-UHFFFAOYSA-N 1 0 213.301 1.944 40 0 BDABRO CC[N@@H+]1CCC[C@H](c2cccc(C(=O)NC)n2)C1 ZINC000072360819 343979620 /nfs/dbraw/zinc/97/96/20/343979620.db2.gz DVJSQIOSFNIAND-NSHDSACASA-N 1 0 247.342 1.641 40 0 BDABRO Cc1cc(Cl)cc(=O)n1CCC[NH+](C)C ZINC000095098139 178063930 /nfs/dbraw/zinc/06/39/30/178063930.db2.gz WKHHLSWMEGZVKZ-UHFFFAOYSA-N 1 0 228.723 1.762 40 0 BDABRO Cc1cc(N2CC[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000096516987 178119362 /nfs/dbraw/zinc/11/93/62/178119362.db2.gz ULOSNYQBRUZRMV-JTQLQIEISA-N 1 0 218.304 1.200 40 0 BDABRO CC(C)(C)[NH2+]C[C@H](O)c1ccc(N)cc1 ZINC000075616847 398224286 /nfs/dbraw/zinc/22/42/86/398224286.db2.gz MCNGLIDDDBAGNA-NSHDSACASA-N 1 0 208.305 1.690 40 0 BDABRO COc1c2c(cc3c1C[NH2+]CC3)OCO2 ZINC000034186003 349527470 /nfs/dbraw/zinc/52/74/70/349527470.db2.gz NPGAQPQBGBDPSL-UHFFFAOYSA-N 1 0 207.229 1.070 40 0 BDABRO Cc1ccc(-c2nc(C)c(C[NH3+])c(=O)[nH]2)cc1 ZINC000084507685 178332781 /nfs/dbraw/zinc/33/27/81/178332781.db2.gz DCGYNIAANCUMQY-UHFFFAOYSA-N 1 0 229.283 1.512 40 0 BDABRO C[C@H]([NH3+])[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000072208287 259315580 /nfs/dbraw/zinc/31/55/80/259315580.db2.gz MBRQITQWIPVHIS-CMPLNLGQSA-N 1 0 220.316 1.596 40 0 BDABRO C[C@H](CC(=O)N1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000072208223 259315174 /nfs/dbraw/zinc/31/51/74/259315174.db2.gz CQIWEMXKIGUBDA-VXGBXAGGSA-N 1 0 240.347 1.014 40 0 BDABRO CCOC(=O)C[C@@](C)([NH3+])c1ccc(OC)cc1 ZINC000072210263 259316648 /nfs/dbraw/zinc/31/66/48/259316648.db2.gz XVUZMMKWXVKLIL-CYBMUJFWSA-N 1 0 237.299 1.822 40 0 BDABRO CCC[C@H]1[NH2+]CCO[C@]1(O)c1ccccc1 ZINC000001622219 342706333 /nfs/dbraw/zinc/70/63/33/342706333.db2.gz UXBDYFZMNRGSOT-CHWSQXEVSA-N 1 0 221.300 1.620 40 0 BDABRO Cc1ccc2c(N)c(O)c(N)c(O)c2[nH+]1 ZINC000001662408 342707279 /nfs/dbraw/zinc/70/72/79/342707279.db2.gz AGJYGBNZCDCPPQ-UHFFFAOYSA-N 1 0 205.217 1.119 40 0 BDABRO CCN(CC)C(=O)OCC[N@H+](C)C(C)C ZINC000001671854 342707926 /nfs/dbraw/zinc/70/79/26/342707926.db2.gz BEUBXRBISLHDDB-UHFFFAOYSA-N 1 0 216.325 1.805 40 0 BDABRO CC[NH+](CC)C[C@H](O)CNCc1ccccc1 ZINC000001671769 342707996 /nfs/dbraw/zinc/70/79/96/342707996.db2.gz QLBMXOZPLHPOAQ-CQSZACIVSA-N 1 0 236.359 1.479 40 0 BDABRO Cn1c(N)[nH+]c2c1cc(O)c1ncccc21 ZINC000005116660 342758432 /nfs/dbraw/zinc/75/84/32/342758432.db2.gz PVKASQOGWHOHIL-UHFFFAOYSA-N 1 0 214.228 1.409 40 0 in-vitro BDABRO Clc1nccc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000038579772 342800522 /nfs/dbraw/zinc/80/05/22/342800522.db2.gz SRQSEBVXVKPYFF-SSDOTTSWSA-N 1 0 212.684 1.294 40 0 BDABRO [NH3+][C@H]1CCCN(c2cn(-c3ccccc3)nn2)C1 ZINC000072221029 259319680 /nfs/dbraw/zinc/31/96/80/259319680.db2.gz JGGXORGKMTXJGH-NSHDSACASA-N 1 0 243.314 1.195 40 0 BDABRO CC(C)[N@@H+]1CCc2ncnc(Cl)c2C1 ZINC000072221037 259319727 /nfs/dbraw/zinc/31/97/27/259319727.db2.gz QOYUTSSEVNMVDC-UHFFFAOYSA-N 1 0 211.696 1.897 40 0 BDABRO O=C(CCN[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043220486 342790971 /nfs/dbraw/zinc/79/09/71/342790971.db2.gz NXJWMQUCLPZTME-CYBMUJFWSA-N 1 0 232.327 1.601 40 0 BDABRO CCOc1ccc(C[NH2+][C@@H](CC)CO)cc1 ZINC000008326367 342797883 /nfs/dbraw/zinc/79/78/83/342797883.db2.gz LVAQNOIQAJZSPF-LBPRGKRZSA-N 1 0 223.316 1.946 40 0 BDABRO Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1CO ZINC000072224743 259321781 /nfs/dbraw/zinc/32/17/81/259321781.db2.gz ISJUKQBTGNGDIY-UHFFFAOYSA-N 1 0 249.358 1.413 40 0 BDABRO CN1C[C@@H]([NH3+])[C@@H](c2c(F)cccc2Cl)C1 ZINC000075071488 259323047 /nfs/dbraw/zinc/32/30/47/259323047.db2.gz ITSXIPBLAYMTCS-OIBJUYFYSA-N 1 0 228.698 1.835 40 0 BDABRO Cc1ccncc1N(C)C[C@H]1CCCC[NH2+]1 ZINC000252497724 259325955 /nfs/dbraw/zinc/32/59/55/259325955.db2.gz QOKBTUXYOXREHS-GFCCVEGCSA-N 1 0 219.332 1.968 40 0 BDABRO CN(C)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062709500 398302408 /nfs/dbraw/zinc/30/24/08/398302408.db2.gz NPNGPGZRSJFXEA-SECBINFHSA-N 1 0 218.222 1.665 40 0 BDABRO Cc1ccc([C@@H]2C[N@H+](C)C[C@@H]2CO)cc1 ZINC000217671513 398322803 /nfs/dbraw/zinc/32/28/03/398322803.db2.gz GYBGIDIQZMAAIP-OLZOCXBDSA-N 1 0 205.301 1.633 40 0 BDABRO Cc1c(N)[o+]nn1Cc1ccc2c(c1)OCO2 ZINC000017013109 342919183 /nfs/dbraw/zinc/91/91/83/342919183.db2.gz YGFBXJTUOUBXAT-UHFFFAOYSA-N 1 0 234.235 1.425 40 0 BDABRO CCN(CC)CC[NH2+]Cc1cccn1C ZINC000020310585 342981634 /nfs/dbraw/zinc/98/16/34/342981634.db2.gz OOKGYIQEWXXCOT-UHFFFAOYSA-N 1 0 209.337 1.457 40 0 BDABRO [NH3+][C@@H](Cc1ccccc1)Cn1ccnc1 ZINC000022115191 343040436 /nfs/dbraw/zinc/04/04/36/343040436.db2.gz XDIMGPCJKRKQDL-LBPRGKRZSA-N 1 0 201.273 1.453 40 0 BDABRO CC(C)[C@@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000214628896 343077619 /nfs/dbraw/zinc/07/76/19/343077619.db2.gz FYITUPBGQPVDKA-SNVBAGLBSA-N 1 0 228.336 1.837 40 0 BDABRO CC(C)([NH3+])CNC(=O)OCc1ccccc1 ZINC000034505895 343273506 /nfs/dbraw/zinc/27/35/06/343273506.db2.gz YOQCQUOSSVXHLD-UHFFFAOYSA-N 1 0 222.288 1.650 40 0 BDABRO CC(C)Cc1nc(C2CC[NH2+]CC2)no1 ZINC000041218821 343320188 /nfs/dbraw/zinc/32/01/88/343320188.db2.gz LJHDQZGJWQNBTI-UHFFFAOYSA-N 1 0 209.293 1.735 40 0 BDABRO Cc1ccsc1CN(C)C(=O)[C@H](C)[NH3+] ZINC000037805441 343356467 /nfs/dbraw/zinc/35/64/67/343356467.db2.gz FFEWEFNMHJVIFR-QMMMGPOBSA-N 1 0 212.318 1.362 40 0 BDABRO CC(C)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000046959543 343555839 /nfs/dbraw/zinc/55/58/39/343555839.db2.gz YNZFHKONUKWBPI-GFCCVEGCSA-N 1 0 226.364 1.881 40 0 BDABRO CC(=O)N[C@@H]1c2cccc(F)c2[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000096205778 343717191 /nfs/dbraw/zinc/71/71/91/343717191.db2.gz ALYLSJJLCMZMAI-UHIISALHSA-N 1 0 248.301 1.662 40 0 BDABRO CO[C@H]1C[NH2+][C@@H](c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253536377 349854407 /nfs/dbraw/zinc/85/44/07/349854407.db2.gz OYFVHHHKDBXZHN-LDYMZIIASA-N 1 0 245.282 1.385 40 0 BDABRO CCN(Cc1cnn(CC)c1)C[C@H](C)[NH3+] ZINC000096523907 343758589 /nfs/dbraw/zinc/75/85/89/343758589.db2.gz VNGKLGDIDAPYEV-JTQLQIEISA-N 1 0 210.325 1.072 40 0 BDABRO OC[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)s1 ZINC000307177185 343797511 /nfs/dbraw/zinc/79/75/11/343797511.db2.gz WGPPWTVZVBYNCR-BQBZGAKWSA-N 1 0 217.721 1.697 40 0 BDABRO CCOc1ccc([C@@H]2C[NH2+]C[C@@H]2N)cc1 ZINC000396917050 343811075 /nfs/dbraw/zinc/81/10/75/343811075.db2.gz NYWKNSURPSLGEQ-RYUDHWBXSA-N 1 0 206.289 1.099 40 0 BDABRO C[NH2+]CCCc1cnn(Cc2c(C)noc2C)c1 ZINC000575623277 343875821 /nfs/dbraw/zinc/87/58/21/343875821.db2.gz DUKVMSGZAWPUCW-UHFFFAOYSA-N 1 0 248.330 1.688 40 0 BDABRO Cc1csc(NC(=O)[C@@H]([NH3+])C(C)C)n1 ZINC000019436353 347020366 /nfs/dbraw/zinc/02/03/66/347020366.db2.gz PNHHQOFRTZAMGX-ZETCQYMHSA-N 1 0 213.306 1.373 40 0 BDABRO c1c[nH]c(-c2nccnc2C[C@H]2CC[NH2+]C2)n1 ZINC000585178890 344276253 /nfs/dbraw/zinc/27/62/53/344276253.db2.gz CYMRNCLNZVMJKC-SECBINFHSA-N 1 0 229.287 1.019 40 0 BDABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccncc3)C2)O1 ZINC000585283872 344401709 /nfs/dbraw/zinc/40/17/09/344401709.db2.gz PIYWKRFLZOHSFV-CQSZACIVSA-N 1 0 246.310 1.753 40 0 BDABRO Cc1ccc(F)cc1CN1CC[C@H]([NH3+])C1 ZINC000038538989 178686522 /nfs/dbraw/zinc/68/65/22/178686522.db2.gz FSBLZVLSYFKOFG-LBPRGKRZSA-N 1 0 208.280 1.667 40 0 BDABRO CCS(=O)(=O)[C@@H]1[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000242548898 345155101 /nfs/dbraw/zinc/15/51/01/345155101.db2.gz MAIWNDTZASVJOM-IJLUTSLNSA-N 1 0 239.340 1.162 40 0 BDABRO COc1cc(CN2CC[NH+](C)CC2)ccc1N ZINC000114011529 345755922 /nfs/dbraw/zinc/75/59/22/345755922.db2.gz GPIBTNYYADLEJS-UHFFFAOYSA-N 1 0 235.331 1.025 40 0 BDABRO Cc1cccc(C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000054370399 179009529 /nfs/dbraw/zinc/00/95/29/179009529.db2.gz ADQUYYWWURPHMP-NSHDSACASA-N 1 0 218.300 1.429 40 0 BDABRO Cc1cccc(C)c1OC[C@H](O)C[NH+](C)C ZINC000005883946 179047915 /nfs/dbraw/zinc/04/79/15/179047915.db2.gz XZCXFOIIDDPGMK-GFCCVEGCSA-N 1 0 223.316 1.605 40 0 BDABRO Cc1cccc(C)c1OC[C@@H]1C[NH2+]CCO1 ZINC000011587397 179048246 /nfs/dbraw/zinc/04/82/46/179048246.db2.gz MHGJAFTWCSIQBM-LBPRGKRZSA-N 1 0 221.300 1.671 40 0 BDABRO Cc1cccc(CN2CCC[NH2+]CC2)n1 ZINC000022926561 179074895 /nfs/dbraw/zinc/07/48/95/179074895.db2.gz IZBCGANIKATEBW-UHFFFAOYSA-N 1 0 205.305 1.185 40 0 BDABRO Cc1cccc(CN2CCC[NH2+]CC2)c1 ZINC000022144008 179073925 /nfs/dbraw/zinc/07/39/25/179073925.db2.gz OMFBEACZDBAGCQ-UHFFFAOYSA-N 1 0 204.317 1.790 40 0 BDABRO CC1(C)CO[C@@H](c2ccc3c(c2)OCO3)[NH2+]1 ZINC000001690884 346463692 /nfs/dbraw/zinc/46/36/92/346463692.db2.gz BOQQKDWUGNTJJY-NSHDSACASA-N 1 0 221.256 1.812 40 0 BDABRO Cc1cccc(OC[C@@H]2C[NH2+]CCO2)c1 ZINC000011587387 179170372 /nfs/dbraw/zinc/17/03/72/179170372.db2.gz URNKPKSMPXZPEE-LBPRGKRZSA-N 1 0 207.273 1.362 40 0 BDABRO Cc1cccc(OC[C@H](O)C[NH2+]C2CC2)c1C ZINC000033465454 179171495 /nfs/dbraw/zinc/17/14/95/179171495.db2.gz ZJMZORXHJZZATF-CYBMUJFWSA-N 1 0 235.327 1.795 40 0 BDABRO Cc1cccc([C@H]([NH3+])CS(C)(=O)=O)c1 ZINC000052788787 179200193 /nfs/dbraw/zinc/20/01/93/179200193.db2.gz SEJALHPNOYJDIS-SNVBAGLBSA-N 1 0 213.302 1.039 40 0 BDABRO Cc1ccccc1CN(C(=O)C[NH3+])C(C)C ZINC000032013716 179267822 /nfs/dbraw/zinc/26/78/22/179267822.db2.gz VUSJTXJMIPKOJF-UHFFFAOYSA-N 1 0 220.316 1.691 40 0 BDABRO O=C(c1ccncc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932752 347891913 /nfs/dbraw/zinc/89/19/13/347891913.db2.gz UTTQDQXGZNYMLV-GFCCVEGCSA-N 1 0 231.299 1.002 40 0 BDABRO CCN(CC)c1ccc([C@@H]2C[C@@]2(C[NH3+])CO)cc1 ZINC000062713424 259405488 /nfs/dbraw/zinc/40/54/88/259405488.db2.gz PBYWNARSXHOGLV-LSDHHAIUSA-N 1 0 248.370 1.958 40 0 BDABRO CC1(C)Cc2c([nH]c3nc[nH+]c(NN)c32)CO1 ZINC000005482241 187412096 /nfs/dbraw/zinc/41/20/96/187412096.db2.gz BMHOPBCOXQHJND-UHFFFAOYSA-N 1 0 233.275 1.095 40 0 BDABRO C[NH2+]Cc1ccc(Br)nc1 ZINC000072225039 191004374 /nfs/dbraw/zinc/00/43/74/191004374.db2.gz DWEOHDUCDDTHLZ-UHFFFAOYSA-N 1 0 201.067 1.564 40 0 BDABRO C1CC(c2noc([C@H]3CCC[NH2+]C3)n2)C1 ZINC000083120096 191007105 /nfs/dbraw/zinc/00/71/05/191007105.db2.gz LAQFVWYALJVRDX-VIFPVBQESA-N 1 0 207.277 1.804 40 0 BDABRO Cc1nc(NC(=O)[C@H]([NH3+])C(C)C)sc1C ZINC000042573186 180012781 /nfs/dbraw/zinc/01/27/81/180012781.db2.gz VFKRTIYLLFYGGJ-MRVPVSSYSA-N 1 0 227.333 1.682 40 0 BDABRO Cc1nc2ncccc2c([C@@H]2CCC[NH2+]C2)n1 ZINC000019240644 180044704 /nfs/dbraw/zinc/04/47/04/180044704.db2.gz CFCJZXNAIPEHKE-SNVBAGLBSA-N 1 0 228.299 1.800 40 0 BDABRO Cc1ccsc1CNCC[NH2+]C[C@H](C)O ZINC000023254516 350200377 /nfs/dbraw/zinc/20/03/77/350200377.db2.gz KBMAJWIPXKQATR-JTQLQIEISA-N 1 0 228.361 1.117 40 0 BDABRO Cc1nccn1C[C@H](C)C[NH2+]Cc1cc[nH]n1 ZINC000105442661 180266414 /nfs/dbraw/zinc/26/64/14/180266414.db2.gz PRRMDOKRQSALNR-SNVBAGLBSA-N 1 0 233.319 1.341 40 0 BDABRO O=C(c1ccco1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932110 350321701 /nfs/dbraw/zinc/32/17/01/350321701.db2.gz DFKAJRQXHHANAN-JTQLQIEISA-N 1 0 220.272 1.200 40 0 BDABRO Cc1nn(C)c(C)c1CN(C)C[C@@H]([NH3+])C(C)C ZINC000096523752 180336934 /nfs/dbraw/zinc/33/69/34/180336934.db2.gz AQNPWCISKZMJNR-CYBMUJFWSA-N 1 0 238.379 1.452 40 0 BDABRO OC[C@H]1C[NH2+]C[C@H]1c1ccc(Br)o1 ZINC000409422881 350474730 /nfs/dbraw/zinc/47/47/30/350474730.db2.gz LPMHZQWBOLYQLI-RNFRBKRXSA-N 1 0 246.104 1.337 40 0 BDABRO CC(C)(C)OC(=O)N1CCC2(C[NH2+]C2)[C@@H](F)C1 ZINC000306681411 350838002 /nfs/dbraw/zinc/83/80/02/350838002.db2.gz OBCVGYCZSFSHTM-VIFPVBQESA-N 1 0 244.310 1.555 40 0 BDABRO COC(=O)CCC12CCC([NH3+])(CC1)CC2 ZINC000218585890 363131329 /nfs/dbraw/zinc/13/13/29/363131329.db2.gz XYEVIUDNQGQLTH-UHFFFAOYSA-N 1 0 211.305 1.991 40 0 BDABRO CC(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](CCO)C(C)C ZINC000169676202 188078431 /nfs/dbraw/zinc/07/84/31/188078431.db2.gz KFMFJKAQLUCOSW-OLZOCXBDSA-N 1 0 242.363 1.136 40 0 BDABRO CCn1c[n+](-c2ccc(Cl)cc2)nn1 ZINC000001703398 188100388 /nfs/dbraw/zinc/10/03/88/188100388.db2.gz LTGUQCZTGSUQBM-UHFFFAOYSA-N 1 0 209.660 1.228 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(Cl)nc1 ZINC000079421678 188117968 /nfs/dbraw/zinc/11/79/68/188117968.db2.gz HRHJKHHYQRQXNN-JTQLQIEISA-N 1 0 241.722 1.335 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1cncs1 ZINC000079422175 188118174 /nfs/dbraw/zinc/11/81/74/188118174.db2.gz PWMWQTASOGEIBD-VIFPVBQESA-N 1 0 227.333 1.085 40 0 BDABRO CC(C)[N@@H+]1CCC[C@@H](c2cc(CCO)n[nH]2)C1 ZINC000072381384 188131502 /nfs/dbraw/zinc/13/15/02/188131502.db2.gz UKCXFCRMNMARLP-LLVKDONJSA-N 1 0 237.347 1.532 40 0 BDABRO Cc1ccnc(C2C[NH+](C3CCOCC3)C2)n1 ZINC000072381936 188132114 /nfs/dbraw/zinc/13/21/14/188132114.db2.gz ODQGAPCZICLOIL-UHFFFAOYSA-N 1 0 233.315 1.363 40 0 BDABRO CC(C)(C)Oc1cccc2[nH+]c(N)nc(N)c21 ZINC000084729336 188143234 /nfs/dbraw/zinc/14/32/34/188143234.db2.gz JQHKDYFLRJIBLX-UHFFFAOYSA-N 1 0 232.287 1.972 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nc2cnccc2c(=O)[nH]1 ZINC000096510441 188147898 /nfs/dbraw/zinc/14/78/98/188147898.db2.gz XHJMUDWMNMJJQQ-SECBINFHSA-N 1 0 218.260 1.386 40 0 BDABRO CC(C)(C)c1cc(CN2CC[C@@H]([NH3+])C2)[nH]n1 ZINC000096523500 188148201 /nfs/dbraw/zinc/14/82/01/188148201.db2.gz UHMFOWIZVOTWEQ-SECBINFHSA-N 1 0 222.336 1.240 40 0 BDABRO CC(C)Cn1nccc1C[NH2+]C[C@@H]1CCCO1 ZINC000256051509 188193688 /nfs/dbraw/zinc/19/36/88/188193688.db2.gz JKWSRGIIYATFAA-ZDUSSCGKSA-N 1 0 237.347 1.808 40 0 BDABRO CC(C)Cn1cc(CNCCC[NH+](C)C)cn1 ZINC000256054489 188193817 /nfs/dbraw/zinc/19/38/17/188193817.db2.gz WNOCGKSFZFHUFK-UHFFFAOYSA-N 1 0 238.379 1.580 40 0 BDABRO CC(=O)Oc1cc2c(cc1O)[C@H](C)[NH2+]CC2 ZINC000024717637 188180566 /nfs/dbraw/zinc/18/05/66/188180566.db2.gz SCXYAPDHGBPYJK-ZETCQYMHSA-N 1 0 221.256 1.524 40 0 BDABRO C(O[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)C1CCCC1 ZINC000306141237 188218783 /nfs/dbraw/zinc/21/87/83/188218783.db2.gz VPCIPWYSIBCZGW-YNEHKIRRSA-N 1 0 225.332 1.713 40 0 BDABRO Fc1ccc(C[C@@H]2C[NH2+]CCOC2)cc1 ZINC000071511548 180971818 /nfs/dbraw/zinc/97/18/18/180971818.db2.gz YXLGMDDSFNQHNR-LLVKDONJSA-N 1 0 209.264 1.604 40 0 BDABRO O=C1C[C@@H](c2ccccc2)CN1C1CC[NH2+]CC1 ZINC000016698277 353577729 /nfs/dbraw/zinc/57/77/29/353577729.db2.gz CCEIOTSUSGUFRH-CYBMUJFWSA-N 1 0 244.338 1.755 40 0 BDABRO CC(C)C[NH+]1C[C@@H]2CN(C(=O)C(C)C)C[C@H]2C1 ZINC000063528474 353600275 /nfs/dbraw/zinc/60/02/75/353600275.db2.gz XXWGTRUIMCWJKX-CHWSQXEVSA-N 1 0 238.375 1.689 40 0 BDABRO NC(=[NH2+])COc1ccc(F)c(Cl)c1 ZINC000075881296 181186669 /nfs/dbraw/zinc/18/66/69/181186669.db2.gz VWRJAPYDOMUOJF-UHFFFAOYSA-N 1 0 202.616 1.794 40 0 BDABRO NC(=[NH2+])SCCC(=O)Nc1ccccc1 ZINC000004721613 181192822 /nfs/dbraw/zinc/19/28/22/181192822.db2.gz XPNOIADGBDNCBT-UHFFFAOYSA-N 1 0 223.301 1.642 40 0 BDABRO NC(=O)[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000037460192 181265495 /nfs/dbraw/zinc/26/54/95/181265495.db2.gz UQOBZSOOFOMTEU-ZETCQYMHSA-N 1 0 234.177 1.070 40 0 BDABRO NNc1ccc(N2CCCCCC2)n[nH+]1 ZINC000026438682 363534402 /nfs/dbraw/zinc/53/44/02/363534402.db2.gz MSOMLQOPIGDBCX-UHFFFAOYSA-N 1 0 207.281 1.143 40 0 BDABRO Cc1c(C[NH2+]Cc2cccc(O)c2)cnn1C ZINC000020352531 357339674 /nfs/dbraw/zinc/33/96/74/357339674.db2.gz GJGDVWQUFRBPDA-UHFFFAOYSA-N 1 0 231.299 1.724 40 0 BDABRO [NH3+]C/C(Br)=C\Br ZINC000017299574 181323804 /nfs/dbraw/zinc/32/38/04/181323804.db2.gz MPVYZQSMFBPMSE-HNQUOIGGSA-N 1 0 214.888 1.576 40 0 BDABRO [NH3+]C1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000096517179 181345053 /nfs/dbraw/zinc/34/50/53/181345053.db2.gz RWDNJYSCELQZTA-UHFFFAOYSA-N 1 0 206.293 1.215 40 0 BDABRO [NH3+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000252346 181355689 /nfs/dbraw/zinc/35/56/89/181355689.db2.gz ROTKCZHLPZGGLC-UHFFFAOYSA-N 1 0 218.178 1.603 40 0 BDABRO [NH3+]CCN1CCC[C@H]1c1cccc(F)c1 ZINC000032553281 181392247 /nfs/dbraw/zinc/39/22/47/181392247.db2.gz ZHHZIWGQQIVSNH-LBPRGKRZSA-N 1 0 208.280 1.921 40 0 BDABRO [NH3+]CCO[C@@H]1CCN(c2ccccc2)C1 ZINC000096528310 181399090 /nfs/dbraw/zinc/39/90/90/181399090.db2.gz RFDLZRNSMHNDRB-GFCCVEGCSA-N 1 0 206.289 1.241 40 0 BDABRO CCC(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000046959892 368331837 /nfs/dbraw/zinc/33/18/37/368331837.db2.gz DOJBJNNNMVSMSP-NSHDSACASA-N 1 0 212.337 1.635 40 0 BDABRO Cc1ccc(N2C[C@]3(CC[NH2+]C3)OC2=O)cc1 ZINC000205684550 368357203 /nfs/dbraw/zinc/35/72/03/368357203.db2.gz RFBICWDTFPDWCU-CYBMUJFWSA-N 1 0 232.283 1.684 40 0 BDABRO Cc1ccc(N2C[C@@]3(CC[NH2+]C3)OC2=O)cc1 ZINC000205684536 368357286 /nfs/dbraw/zinc/35/72/86/368357286.db2.gz RFBICWDTFPDWCU-ZDUSSCGKSA-N 1 0 232.283 1.684 40 0 BDABRO c1n[nH]cc1-c1cnc(C[C@H]2CC[NH2+]C2)cn1 ZINC000205691225 368358668 /nfs/dbraw/zinc/35/86/68/368358668.db2.gz DRTLXNHHHAASCU-SECBINFHSA-N 1 0 229.287 1.019 40 0 BDABRO CCN(C(C)=O)[C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC000205703515 368359485 /nfs/dbraw/zinc/35/94/85/368359485.db2.gz KJQRNCXFIBVENI-GFCCVEGCSA-N 1 0 240.347 1.156 40 0 BDABRO CCN(C(C)=O)[C@@H]1C[NH2+]C2(C1)CCCCC2 ZINC000205703176 368360254 /nfs/dbraw/zinc/36/02/54/368360254.db2.gz KYCKSLKPRHTXRH-LBPRGKRZSA-N 1 0 224.348 1.920 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@@H]1c1cc(F)ccc1F ZINC000062713743 181469360 /nfs/dbraw/zinc/46/93/60/181469360.db2.gz PGMLHHHLDWBQTK-KOLCDFICSA-N 1 0 213.227 1.390 40 0 BDABRO CN(C)c1nc([C@@H]2CC[NH2+]C2)cn2cccc12 ZINC000205689130 369996669 /nfs/dbraw/zinc/99/66/69/369996669.db2.gz CIVCTDFSSGJRIA-SNVBAGLBSA-N 1 0 230.315 1.477 40 0 BDABRO C[C@H](c1ccccc1)n1cncc1C[NH3+] ZINC000075126457 370090091 /nfs/dbraw/zinc/09/00/91/370090091.db2.gz NTMGAJMPNOYSEM-SNVBAGLBSA-N 1 0 201.273 1.951 40 0 BDABRO [NH3+][C@H]1CCCc2c1ccc(=O)n2C(F)F ZINC000252479633 370053132 /nfs/dbraw/zinc/05/31/32/370053132.db2.gz BJAPXXAVJUFPFY-ZETCQYMHSA-N 1 0 214.215 1.580 40 0 BDABRO CC(C)[C@H]1CCC(=O)N1[C@@H]1CCC[NH2+]C1 ZINC000256054289 370638261 /nfs/dbraw/zinc/63/82/61/370638261.db2.gz VSYYGCWDQMHTMI-GHMZBOCLSA-N 1 0 210.321 1.385 40 0 BDABRO [NH3+][C@@]1(c2ccccc2)CN2CCC1CC2 ZINC000019364642 371133737 /nfs/dbraw/zinc/13/37/37/371133737.db2.gz DJIGNFKTOGQDFW-CYBMUJFWSA-N 1 0 202.301 1.566 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1cccc(N)c1 ZINC000252516217 259548256 /nfs/dbraw/zinc/54/82/56/259548256.db2.gz QOISGXDCUJFTKH-NWDGAFQWSA-N 1 0 234.299 1.087 40 0 BDABRO Clc1cc(NC[C@@H]2CCC[NH2+]C2)ncn1 ZINC000040434322 373262217 /nfs/dbraw/zinc/26/22/17/373262217.db2.gz RVNXAMOKXRRDSR-MRVPVSSYSA-N 1 0 226.711 1.542 40 0 BDABRO COC(=O)c1cccnc1NCC1CC[NH2+]CC1 ZINC000040434827 373264429 /nfs/dbraw/zinc/26/44/29/373264429.db2.gz PUNGBELOUPRTAI-UHFFFAOYSA-N 1 0 249.314 1.280 40 0 BDABRO O=C(NCC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000019397662 182148017 /nfs/dbraw/zinc/14/80/17/182148017.db2.gz SXZBJFJTFOGXKL-UHFFFAOYSA-N 1 0 236.290 1.555 40 0 BDABRO O=C(Nc1ccc2n[nH]cc2c1)C1CC[NH2+]CC1 ZINC000037020155 182362162 /nfs/dbraw/zinc/36/21/62/182362162.db2.gz JWXRCHNLSAJZCE-UHFFFAOYSA-N 1 0 244.298 1.501 40 0 BDABRO O=C(Nc1ccccc1F)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096054073 182379075 /nfs/dbraw/zinc/37/90/75/182379075.db2.gz BCCQYYFPVZTUPC-SKDRFNHKSA-N 1 0 249.289 1.651 40 0 BDABRO O=C(Nc1cccc(F)c1)NC1CC[NH2+]CC1 ZINC000038076388 182369755 /nfs/dbraw/zinc/36/97/55/182369755.db2.gz UNXUGBUPWVDMBZ-UHFFFAOYSA-N 1 0 237.278 1.699 40 0 BDABRO OC1[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000047845129 183032756 /nfs/dbraw/zinc/03/27/56/183032756.db2.gz NERPUNDHAOPKPP-FUNVUKJBSA-N 1 0 203.285 1.499 40 0 BDABRO OCC1([NH2+]C[C@@H]2C[C@@H]3C=C[C@H]2C3)CCOCC1 ZINC000085325041 183037456 /nfs/dbraw/zinc/03/74/56/183037456.db2.gz MCHHVLUDGJROQR-AGIUHOORSA-N 1 0 237.343 1.330 40 0 BDABRO OCC1([NH2+]C[C@@H]2C[C@H]3C=C[C@@H]2C3)CCOCC1 ZINC000195537224 183038209 /nfs/dbraw/zinc/03/82/09/183038209.db2.gz MCHHVLUDGJROQR-XQQFMLRXSA-N 1 0 237.343 1.330 40 0 BDABRO CCCC[C@H](CC)C[NH+](CCO)CCO ZINC000002042654 168997969 /nfs/dbraw/zinc/99/79/69/168997969.db2.gz QCHFGCDNLNBQLJ-LBPRGKRZSA-N 1 0 217.353 1.489 40 0 BDABRO O[C@@H](COC1CCCCC1)C[NH+]1CCCC1 ZINC000096305978 183182077 /nfs/dbraw/zinc/18/20/77/183182077.db2.gz YUEGAZAAVDQSCA-GFCCVEGCSA-N 1 0 227.348 1.792 40 0 BDABRO O[C@@H]1CCN(c2cccc(C3CC[NH2+]CC3)n2)C1 ZINC000072386881 183199976 /nfs/dbraw/zinc/19/99/76/183199976.db2.gz HAQCGWXOBNZFJI-GFCCVEGCSA-N 1 0 247.342 1.120 40 0 BDABRO O[C@H](COc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000005731147 183226330 /nfs/dbraw/zinc/22/63/30/183226330.db2.gz PSMYUZXNSZFMDZ-LBPRGKRZSA-N 1 0 239.290 1.661 40 0 BDABRO O[C@@]1(C(F)(F)F)CC[NH2+]CC[C@@H]1F ZINC000261508315 183215224 /nfs/dbraw/zinc/21/52/24/183215224.db2.gz RHNGOAYKQPFGFC-WDSKDSINSA-N 1 0 201.163 1.001 40 0 BDABRO O[C@H]1CC[N@H+]([C@@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200369 183239889 /nfs/dbraw/zinc/23/98/89/183239889.db2.gz YGNNPJYPCIQFKX-ILXRZTDVSA-N 1 0 247.338 1.453 40 0 BDABRO Oc1cccc(C[NH2+]Cc2cnn(CCF)c2)c1 ZINC000256052296 183291862 /nfs/dbraw/zinc/29/18/62/183291862.db2.gz MTGPXPXAANYCSM-UHFFFAOYSA-N 1 0 249.289 1.848 40 0 BDABRO c1c2c(cc3c1CC[N@@H+]1CCC[C@H]1C3)OCO2 ZINC000001578967 183321631 /nfs/dbraw/zinc/32/16/31/183321631.db2.gz QGNISKNAWYUGFO-LBPRGKRZSA-N 1 0 231.295 1.978 40 0 BDABRO c1cc(C2CC[NH2+]CC2)n(C2CCOCC2)n1 ZINC000096509760 183337042 /nfs/dbraw/zinc/33/70/42/183337042.db2.gz CIKXQDRMQXIPIE-UHFFFAOYSA-N 1 0 235.331 1.702 40 0 BDABRO c1[nH]nc2ccc(C[C@H]3C[NH2+]CCOC3)cc12 ZINC000257197657 183363692 /nfs/dbraw/zinc/36/36/92/183363692.db2.gz FWJGBBRDVOIFNU-NSHDSACASA-N 1 0 231.299 1.341 40 0 BDABRO CCCNC(=O)NCCC[NH+]1CCCCCC1 ZINC000057580591 169236091 /nfs/dbraw/zinc/23/60/91/169236091.db2.gz UMWOZIWYBHSOBZ-UHFFFAOYSA-N 1 0 241.379 1.962 40 0 BDABRO c1ccc(-c2ncnc3c2CC[NH2+]CC3)cc1 ZINC000096255370 183383985 /nfs/dbraw/zinc/38/39/85/183383985.db2.gz RMYSTYAUMVQPDT-UHFFFAOYSA-N 1 0 225.295 1.832 40 0 BDABRO c1cc([C@@H]2CC[N@@H+](Cc3cncs3)C2)n[nH]1 ZINC000257321220 183362138 /nfs/dbraw/zinc/36/21/38/183362138.db2.gz WAQIENMUJIUMLC-SECBINFHSA-N 1 0 234.328 1.856 40 0 BDABRO c1ccc2c(c1)ncnc2O[C@H]1CCC[NH2+]C1 ZINC000051872991 183439532 /nfs/dbraw/zinc/43/95/32/183439532.db2.gz JEIMDIJUXZVAGA-JTQLQIEISA-N 1 0 229.283 1.761 40 0 BDABRO c1ccc2c(c1)CC[NH+]=C(N1CCOCC1)N2 ZINC000006928877 183443939 /nfs/dbraw/zinc/44/39/39/183443939.db2.gz YQQJATIXSJZJTI-UHFFFAOYSA-N 1 0 231.299 1.343 40 0 BDABRO c1cncc(N2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC000096229350 183495723 /nfs/dbraw/zinc/49/57/23/183495723.db2.gz LWNJLCUTZIXQRF-AWEZNQCLSA-N 1 0 247.342 1.288 40 0 BDABRO c1cc([C@@H]2CC[NH2+]C2)nc(Nc2cncnc2)n1 ZINC000072354556 383837305 /nfs/dbraw/zinc/83/73/05/383837305.db2.gz WEPPOTSZXURICR-SECBINFHSA-N 1 0 242.286 1.087 40 0 BDABRO C[NH2+][C@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000070026300 383856498 /nfs/dbraw/zinc/85/64/98/383856498.db2.gz WZFJIVAORYKBMY-MNOVXSKESA-N 1 0 220.320 1.221 40 0 BDABRO CCN(C[C@@H]1CC[NH2+]C1)C(=O)OC(C)(C)C ZINC000034353985 383866849 /nfs/dbraw/zinc/86/68/49/383866849.db2.gz NYYCZYNMSIYBIS-SNVBAGLBSA-N 1 0 228.336 1.853 40 0 BDABRO N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000035677139 383867216 /nfs/dbraw/zinc/86/72/16/383867216.db2.gz SICBHEQTGNGHHL-QMMMGPOBSA-N 1 0 215.094 1.408 40 0 BDABRO [NH3+]Cc1cc(O)ccc1Br ZINC000067173010 383911890 /nfs/dbraw/zinc/91/18/90/383911890.db2.gz ROSWINSPQZNXHU-UHFFFAOYSA-N 1 0 202.051 1.613 40 0 BDABRO Cc1nc(Nc2ncccn2)cc(C2C[NH2+]C2)n1 ZINC000072357435 383898606 /nfs/dbraw/zinc/89/86/06/383898606.db2.gz PBISCOUILJSOMD-UHFFFAOYSA-N 1 0 242.286 1.005 40 0 BDABRO c1cnc2c(c1)C[C@]1(C[NH+]3CCC1CC3)O2 ZINC000113684442 383998733 /nfs/dbraw/zinc/99/87/33/383998733.db2.gz OCKIPDMKGPYYJS-CYBMUJFWSA-N 1 0 216.284 1.481 40 0 BDABRO COC(=O)[C@H](c1cccc(C)c1)N1CC[NH2+]CC1 ZINC000037963804 384046626 /nfs/dbraw/zinc/04/66/26/384046626.db2.gz NWZATMJDEDWVHV-ZDUSSCGKSA-N 1 0 248.326 1.114 40 0 BDABRO c1cc([C@@H]2CCC[NH2+]2)nc(Nc2cncnc2)n1 ZINC000072376745 384034606 /nfs/dbraw/zinc/03/46/06/384034606.db2.gz QKIAKZDZZKCMLJ-JTQLQIEISA-N 1 0 242.286 1.435 40 0 BDABRO N[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000035677012 384088964 /nfs/dbraw/zinc/08/89/64/384088964.db2.gz RZAHNHAAWBMEIF-ZETCQYMHSA-N 1 0 205.088 1.952 40 0 BDABRO O=C1Nc2ccccc2[C@@]12C[NH2+]CS2 ZINC000005051762 384097446 /nfs/dbraw/zinc/09/74/46/384097446.db2.gz MREHXSZBHQKWKH-JTQLQIEISA-N 1 0 206.270 1.128 40 0 BDABRO O=C([O-])C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393335 384133535 /nfs/dbraw/zinc/13/35/35/384133535.db2.gz JWQSNSKVXDPBFK-CYBMUJFWSA-N 1 0 248.326 1.183 40 0 BDABRO CC(=O)N1CCCC[C@@H]1CN(CC[NH3+])C(C)C ZINC000079405669 384135436 /nfs/dbraw/zinc/13/54/36/384135436.db2.gz HLJYOUKTESSKJS-CYBMUJFWSA-N 1 0 241.379 1.057 40 0 BDABRO CC(C)[N@H+](CCO)C[C@@H]1CCCN(C)C1 ZINC000079406059 384136192 /nfs/dbraw/zinc/13/61/92/384136192.db2.gz IAWBPFTVCDODPO-GFCCVEGCSA-N 1 0 214.353 1.031 40 0 BDABRO CC(C)N(CC[NH3+])CC(=O)c1cccs1 ZINC000079436049 384146872 /nfs/dbraw/zinc/14/68/72/384146872.db2.gz YSDWDWKVFVXRIH-UHFFFAOYSA-N 1 0 226.345 1.600 40 0 BDABRO C[C@H]([NH3+])C(=O)NCc1cccc(Cl)c1Cl ZINC000079420890 384143251 /nfs/dbraw/zinc/14/32/51/384143251.db2.gz XJEVIUGWBTYBFH-LURJTMIESA-N 1 0 247.125 1.957 40 0 BDABRO CCOC(=O)[C@H](CN)[C@](C)(CC)[NH+]1CCCC1 ZINC000072210434 384158558 /nfs/dbraw/zinc/15/85/58/384158558.db2.gz DDUUSFCOUXACEG-AAEUAGOBSA-N 1 0 242.363 1.389 40 0 BDABRO CCc1ccc2oc(=O)cc(C[NH3+])c2c1 ZINC000041248438 384185145 /nfs/dbraw/zinc/18/51/45/384185145.db2.gz TZGZNTJHWLHUKK-UHFFFAOYSA-N 1 0 203.241 1.814 40 0 BDABRO Cc1cc(Br)ncc1C[NH3+] ZINC000072222948 384202911 /nfs/dbraw/zinc/20/29/11/384202911.db2.gz UPOLYLOCDJGQHK-UHFFFAOYSA-N 1 0 201.067 1.611 40 0 BDABRO c1cnc2c(n[nH]c2C2C[NH+](C3CCCC3)C2)n1 ZINC000072381176 384215927 /nfs/dbraw/zinc/21/59/27/384215927.db2.gz HCHBWIAWZWNOHQ-UHFFFAOYSA-N 1 0 243.314 1.695 40 0 BDABRO CC(C)N1CCC[C@H]1c1nnc2n1CC[N@@H+](C)C2 ZINC000072373891 384217725 /nfs/dbraw/zinc/21/77/25/384217725.db2.gz ZLPSZMMVAORANL-NSHDSACASA-N 1 0 249.362 1.269 40 0 BDABRO c1ncc(N2CCCC2)nc1C1CC[NH2+]CC1 ZINC000072386378 384219768 /nfs/dbraw/zinc/21/97/68/384219768.db2.gz DXKWSPQMYHKJPE-UHFFFAOYSA-N 1 0 232.331 1.544 40 0 BDABRO O=C1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2N1 ZINC000072398472 384221181 /nfs/dbraw/zinc/22/11/81/384221181.db2.gz GJKKQZRBXZTOFB-QWHCGFSZSA-N 1 0 230.311 1.397 40 0 BDABRO [NH3+]Cc1cn(-c2cccc(Cl)c2)cn1 ZINC000082532963 384226675 /nfs/dbraw/zinc/22/66/75/384226675.db2.gz GFDHJNNSJJRQOE-UHFFFAOYSA-N 1 0 207.664 1.984 40 0 BDABRO O=C1NCCC12CC[NH+](Cc1ccccn1)CC2 ZINC000096046693 384426449 /nfs/dbraw/zinc/42/64/49/384426449.db2.gz WPCWZWZGFDNLNI-UHFFFAOYSA-N 1 0 245.326 1.184 40 0 BDABRO CC(C)(C)OC(=O)N1CCC(C2C[NH2+]C2)CC1 ZINC000095932403 384409612 /nfs/dbraw/zinc/40/96/12/384409612.db2.gz FYSIMLVTGVEINH-UHFFFAOYSA-N 1 0 240.347 1.853 40 0 BDABRO [NH3+]Cc1cnc(Cl)c(Br)c1 ZINC000095630936 384385927 /nfs/dbraw/zinc/38/59/27/384385927.db2.gz ICQQDVANKLBQOP-UHFFFAOYSA-N 1 0 221.485 1.956 40 0 BDABRO C[NH2+][C@@H](C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000037869918 384386585 /nfs/dbraw/zinc/38/65/85/384386585.db2.gz SEZGNACPMHKMFM-MRVPVSSYSA-N 1 0 232.205 1.451 40 0 BDABRO CN1C(=O)[C@@H](c2cccnc2)CC12CC[NH2+]CC2 ZINC000096261162 384445733 /nfs/dbraw/zinc/44/57/33/384445733.db2.gz KLNVMTYVWCQEEI-GFCCVEGCSA-N 1 0 245.326 1.150 40 0 BDABRO O=C1CCC2(CCC([NH2+]Cc3ccoc3)CC2)N1 ZINC000096228514 384446735 /nfs/dbraw/zinc/44/67/35/384446735.db2.gz PYXJVHPRNAJGLD-UHFFFAOYSA-N 1 0 248.326 1.961 40 0 BDABRO C[C@@H]1c2ncc(COCC3CC3)n2CC[N@H+]1C ZINC000096109756 384435858 /nfs/dbraw/zinc/43/58/58/384435858.db2.gz ZGMUUIOYDUNMDN-SNVBAGLBSA-N 1 0 235.331 1.816 40 0 BDABRO CN(C)c1ncnc2c1CC[N@H+](CC1CC1)CC2 ZINC000096187685 384443094 /nfs/dbraw/zinc/44/30/94/384443094.db2.gz AFWGLJCHHHTPQE-UHFFFAOYSA-N 1 0 246.358 1.353 40 0 BDABRO c1cncc(O[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000096223629 384443314 /nfs/dbraw/zinc/44/33/14/384443314.db2.gz INGOMGUGJWGNDW-QWHCGFSZSA-N 1 0 234.299 1.372 40 0 BDABRO Cc1ccsc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000070949793 384484509 /nfs/dbraw/zinc/48/45/09/384484509.db2.gz LVCRTSYOSTTXAT-SECBINFHSA-N 1 0 224.329 1.538 40 0 BDABRO C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000002045324 384503141 /nfs/dbraw/zinc/50/31/41/384503141.db2.gz JZDKVWMSZWQTBR-JTQLQIEISA-N 1 0 204.273 1.291 40 0 BDABRO OCC[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000049801562 384569652 /nfs/dbraw/zinc/56/96/52/384569652.db2.gz XPXLFAQZPLERJX-CYBMUJFWSA-N 1 0 220.316 1.819 40 0 BDABRO O=C1Nc2c(cccc2Cl)C12CC[NH2+]CC2 ZINC000098213590 384595594 /nfs/dbraw/zinc/59/55/94/384595594.db2.gz HJYMNWHUSITVEO-UHFFFAOYSA-N 1 0 236.702 1.913 40 0 BDABRO Cc1ccn([C@H](C)[C@@H]2CCCN2CC[NH3+])n1 ZINC000022763120 384775065 /nfs/dbraw/zinc/77/50/65/384775065.db2.gz TZNNEOLHPHZQRJ-NEPJUHHUSA-N 1 0 222.336 1.176 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1OC ZINC000217043500 384824284 /nfs/dbraw/zinc/82/42/84/384824284.db2.gz WDEWEEAIKZZIRC-VXGBXAGGSA-N 1 0 249.310 1.513 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@H]1C[C@H]([NH3+])CO ZINC000026896486 384885946 /nfs/dbraw/zinc/88/59/46/384885946.db2.gz KYFURKFJGCSLKC-UWVGGRQHSA-N 1 0 244.335 1.096 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@H]([NH3+])CO ZINC000026896483 384886537 /nfs/dbraw/zinc/88/65/37/384886537.db2.gz KYFURKFJGCSLKC-NXEZZACHSA-N 1 0 244.335 1.096 40 0 BDABRO COc1c(C)c(C)ccc1C[NH2+]C[C@H](C)O ZINC000095094889 384957697 /nfs/dbraw/zinc/95/76/97/384957697.db2.gz LWFWABRHKIZMRL-JTQLQIEISA-N 1 0 223.316 1.782 40 0 BDABRO COc1ccc(C[C@@H]2C[NH2+]CCO2)cc1OC ZINC000084049980 385051375 /nfs/dbraw/zinc/05/13/75/385051375.db2.gz KEFUKKBDWNJHSF-LLVKDONJSA-N 1 0 237.299 1.235 40 0 BDABRO C[NH2+][C@@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC000072203483 385055501 /nfs/dbraw/zinc/05/55/01/385055501.db2.gz IUJFUASOJYMGKW-MRVPVSSYSA-N 1 0 245.779 1.980 40 0 BDABRO Cc1ccc2onc(N3CC[NH2+]CC3)c2c1 ZINC000072209016 385064481 /nfs/dbraw/zinc/06/44/81/385064481.db2.gz IWKYBHLWCZNRTA-UHFFFAOYSA-N 1 0 217.272 1.546 40 0 BDABRO CCOC(=O)[C@@H](CN)[C@@](C)(CC)[NH+]1CCCC1 ZINC000072210437 385067389 /nfs/dbraw/zinc/06/73/89/385067389.db2.gz DDUUSFCOUXACEG-DGCLKSJQSA-N 1 0 242.363 1.389 40 0 BDABRO CC(=O)N1CCCC[C@@H]1c1ccc(N)nc1 ZINC000072212394 385075869 /nfs/dbraw/zinc/07/58/69/385075869.db2.gz VCUUFQAMGXXVLS-LLVKDONJSA-N 1 0 219.288 1.737 40 0 BDABRO CCN(C)c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072212698 385079241 /nfs/dbraw/zinc/07/92/41/385079241.db2.gz RQABJWFXUTXKCG-NSHDSACASA-N 1 0 205.305 1.962 40 0 BDABRO CCOc1cc([C@H](N)c2nc[nH]n2)ccc1OC ZINC000095534414 385042513 /nfs/dbraw/zinc/04/25/13/385042513.db2.gz IEQJWUSZJFJABV-NSHDSACASA-N 1 0 248.286 1.260 40 0 BDABRO CCOc1cc([C@@H](N)c2nc[nH]n2)ccc1OC ZINC000095534415 385043819 /nfs/dbraw/zinc/04/38/19/385043819.db2.gz IEQJWUSZJFJABV-LLVKDONJSA-N 1 0 248.286 1.260 40 0 BDABRO c1ccc2c(c1)cccc2CC1NCC[NH2+]1 ZINC000019319084 385213201 /nfs/dbraw/zinc/21/32/01/385213201.db2.gz MUYXXSFTSDPSQP-UHFFFAOYSA-N 1 0 212.296 1.901 40 0 in-vitro BDABRO COc1cc(Cl)cc2c1OCC[NH2+]C2 ZINC000096517140 385254872 /nfs/dbraw/zinc/25/48/72/385254872.db2.gz GHAGYMCHPMTHKC-UHFFFAOYSA-N 1 0 213.664 1.831 40 0 BDABRO Cc1nc(C2CC2)cc(N2CC[C@@H]([NH3+])C2)n1 ZINC000096516912 385255220 /nfs/dbraw/zinc/25/52/20/385255220.db2.gz JYUJLBGXOCTSEG-SNVBAGLBSA-N 1 0 218.304 1.200 40 0 BDABRO Cc1noc(C)c1CCN(C)C[C@H]1CCC[NH2+]1 ZINC000096523685 385268827 /nfs/dbraw/zinc/26/88/27/385268827.db2.gz GNTLPJZWWMNSNH-GFCCVEGCSA-N 1 0 237.347 1.518 40 0 BDABRO CC(C)C[C@H]([NH3+])C(=O)NCC1CC(C)C1 ZINC000096523456 385269707 /nfs/dbraw/zinc/26/97/07/385269707.db2.gz FXZZMTTULQDXTR-ILDUYXDCSA-N 1 0 212.337 1.522 40 0 BDABRO CC[C@H]([C@@H]([NH3+])C(C)(C)C)S(C)(=O)=O ZINC000096524918 385277535 /nfs/dbraw/zinc/27/75/35/385277535.db2.gz ZFNBSYOTISBHDD-HTQZYQBOSA-N 1 0 207.339 1.183 40 0 BDABRO CCCc1nc(N)cc(C2CC[NH2+]CC2)n1 ZINC000096529247 385280163 /nfs/dbraw/zinc/28/01/63/385280163.db2.gz XVZIIVQXLGWRAY-UHFFFAOYSA-N 1 0 220.320 1.478 40 0 BDABRO COc1ccc([C@]2(C)C[NH2+]CCO2)c(OC)c1 ZINC000096526565 385280510 /nfs/dbraw/zinc/28/05/10/385280510.db2.gz FGERHXQTOKUGIP-ZDUSSCGKSA-N 1 0 237.299 1.539 40 0 BDABRO CCS(=O)(=O)C1(c2nc(C[NH3+])cs2)CC1 ZINC000096531941 385282490 /nfs/dbraw/zinc/28/24/90/385282490.db2.gz SBUQRLYEWBSGHG-UHFFFAOYSA-N 1 0 246.357 1.026 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1ccc(F)cc1 ZINC000075418439 385450038 /nfs/dbraw/zinc/45/00/38/385450038.db2.gz OZNZRGYPCXWEAQ-KCJUWKMLSA-N 1 0 245.319 1.649 40 0 BDABRO CCC[C@@H]([NH3+])CN1CCN(c2ccccn2)CC1 ZINC000036873549 385588626 /nfs/dbraw/zinc/58/86/26/385588626.db2.gz DKYXFNYIWDCRTP-CYBMUJFWSA-N 1 0 248.374 1.331 40 0 BDABRO CC(C)C[C@@H]([NH3+])CN1CCSCC1 ZINC000020257460 385668798 /nfs/dbraw/zinc/66/87/98/385668798.db2.gz NFNHGCWRVWTARG-SNVBAGLBSA-N 1 0 202.367 1.409 40 0 BDABRO C[C@@]1(C(N)=O)CCC[N@H+](Cc2ccncc2)C1 ZINC000257234342 385755025 /nfs/dbraw/zinc/75/50/25/385755025.db2.gz GTBSEOLHYMYDDR-CYBMUJFWSA-N 1 0 233.315 1.169 40 0 BDABRO [NH3+]C[C@H](c1cc(F)ccc1F)N1CCOCC1 ZINC000037233437 385827192 /nfs/dbraw/zinc/82/71/92/385827192.db2.gz JUTUPMHRIVKLDR-GFCCVEGCSA-N 1 0 242.269 1.297 40 0 BDABRO CSc1c2c(cc3c1C[NH2+]C[C@@H]3O)OCO2 ZINC000261829841 385830050 /nfs/dbraw/zinc/83/00/50/385830050.db2.gz ULXBGLVQODISGB-QMMMGPOBSA-N 1 0 239.296 1.274 40 0 BDABRO c1ncn2c1C[NH2+]C[C@H](COCC1CC1)C2 ZINC000306139138 385991303 /nfs/dbraw/zinc/99/13/03/385991303.db2.gz SQFNGOOMQCECFI-NSHDSACASA-N 1 0 221.304 1.029 40 0 BDABRO c1ccc(OC[C@@]23CCC[C@@H]2C[NH2+]C3)nc1 ZINC000306142989 385992700 /nfs/dbraw/zinc/99/27/00/385992700.db2.gz XQBCKFYHRXJUJU-YPMHNXCESA-N 1 0 218.300 1.850 40 0 BDABRO c1csc(C[NH2+]C[C@@H]2CCc3nccn32)n1 ZINC000306144404 385992819 /nfs/dbraw/zinc/99/28/19/385992819.db2.gz ZEHZGZIBEODUOY-VIFPVBQESA-N 1 0 234.328 1.617 40 0 BDABRO CC(C)(C)OC(=O)N1CC2(C1)SCC[C@H]2[NH3+] ZINC000306145644 385993946 /nfs/dbraw/zinc/99/39/46/385993946.db2.gz LRCZEZCRJXQDOP-MRVPVSSYSA-N 1 0 244.360 1.440 40 0 BDABRO C[NH2+][C@H](C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000037869945 386106037 /nfs/dbraw/zinc/10/60/37/386106037.db2.gz CXRLZLYLPSLTOE-QMMMGPOBSA-N 1 0 232.205 1.451 40 0 BDABRO C[NH2+][C@H](CO)c1cc(Br)ccc1F ZINC000038121228 386123828 /nfs/dbraw/zinc/12/38/28/386123828.db2.gz WAKKKEJVCCGCLI-SECBINFHSA-N 1 0 248.095 1.841 40 0 BDABRO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC000215438878 386357414 /nfs/dbraw/zinc/35/74/14/386357414.db2.gz AASKKLGNFGJCHU-NEPJUHHUSA-N 1 0 219.284 1.900 40 0 BDABRO Cc1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218871524 386365674 /nfs/dbraw/zinc/36/56/74/386365674.db2.gz SLQCEYKQQSWTIW-QWHCGFSZSA-N 1 0 204.317 1.964 40 0 BDABRO CCC[C@@H]1SCC[N@@H+]1CCC(N)=O ZINC000033901640 386418546 /nfs/dbraw/zinc/41/85/46/386418546.db2.gz GSPYFGAIWDRMBG-VIFPVBQESA-N 1 0 202.323 1.037 40 0 BDABRO C[N@H+](CN1C(=O)CCC1=O)C1CCCCC1 ZINC000059498492 386484113 /nfs/dbraw/zinc/48/41/13/386484113.db2.gz DVVYNXWJMSGHRO-UHFFFAOYSA-N 1 0 224.304 1.357 40 0 BDABRO CO[C@@H]1CSC2(CN(Cc3ccoc3)C2)C1 ZINC000247828259 386734568 /nfs/dbraw/zinc/73/45/68/386734568.db2.gz GKRXTOMODUSUSB-NSHDSACASA-N 1 0 239.340 1.986 40 0 BDABRO C(O[C@@H]1CSC2(C[NH2+]C2)C1)C1CCOCC1 ZINC000247829332 386735837 /nfs/dbraw/zinc/73/58/37/386735837.db2.gz HAYFLPPXXBKHPW-NSHDSACASA-N 1 0 243.372 1.277 40 0 BDABRO O=C(CC1CC[NH2+]CC1)N1CCCCC1 ZINC000019439888 386765080 /nfs/dbraw/zinc/76/50/80/386765080.db2.gz DAJVUIHKCDTXQK-UHFFFAOYSA-N 1 0 210.321 1.389 40 0 BDABRO CCn1cc(-c2noc([C@H]3CCC[NH2+]3)n2)cn1 ZINC000575410819 387015013 /nfs/dbraw/zinc/01/50/13/387015013.db2.gz KKQBJKPXPMJGMH-SECBINFHSA-N 1 0 233.275 1.378 40 0 BDABRO O=C1N(c2cccnc2)CC[C@@]12CCC[NH2+]C2 ZINC000096157226 387020034 /nfs/dbraw/zinc/02/00/34/387020034.db2.gz PXUFOMGXPQEEJF-CYBMUJFWSA-N 1 0 231.299 1.188 40 0 BDABRO c1nn(CC2CC2)cc1C[NH2+]CC1CC1 ZINC000575415199 387023369 /nfs/dbraw/zinc/02/33/69/387023369.db2.gz XDELJKXGLRQBDQ-UHFFFAOYSA-N 1 0 205.305 1.793 40 0 BDABRO Cc1ccc(N2C[C@@]3(CC[NH2+]C3)CC2=O)cc1 ZINC000096239423 387024003 /nfs/dbraw/zinc/02/40/03/387024003.db2.gz ZHJCOBGNRSKWFM-AWEZNQCLSA-N 1 0 230.311 1.711 40 0 BDABRO [NH3+][C@H]1CCc2c(ccc(=O)n2CC2CC2)C1 ZINC000096260662 387025872 /nfs/dbraw/zinc/02/58/72/387025872.db2.gz ZTJNNRMCMJKKGE-NSHDSACASA-N 1 0 218.300 1.074 40 0 BDABRO COCC[NH2+]CCOCc1ccccc1 ZINC000053543746 387804090 /nfs/dbraw/zinc/80/40/90/387804090.db2.gz RTCAHPVLCHBCFO-UHFFFAOYSA-N 1 0 209.289 1.439 40 0 BDABRO CCCn1nccc1CNCCC[NH+](C)C ZINC000164827077 387853258 /nfs/dbraw/zinc/85/32/58/387853258.db2.gz NGDKKHWFYJNAGA-UHFFFAOYSA-N 1 0 224.352 1.334 40 0 BDABRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccnn1C ZINC000256050760 387857851 /nfs/dbraw/zinc/85/78/51/387857851.db2.gz GJQRCQXXUVEMFD-UHFFFAOYSA-N 1 0 247.346 1.796 40 0 BDABRO Cc1c(CNCCC[NH+](C)C)cnn1C(C)C ZINC000256051431 387859300 /nfs/dbraw/zinc/85/93/00/387859300.db2.gz JDHLLGZCFQLCMR-UHFFFAOYSA-N 1 0 238.379 1.814 40 0 BDABRO CCCn1nc(C)cc1CNCCC[NH+](C)C ZINC000256052249 387860984 /nfs/dbraw/zinc/86/09/84/387860984.db2.gz MOBIJJJKZJBMMI-UHFFFAOYSA-N 1 0 238.379 1.643 40 0 BDABRO CCCn1cc(C[NH2+]Cc2c(C)cnn2C)cn1 ZINC000256054682 387861874 /nfs/dbraw/zinc/86/18/74/387861874.db2.gz XIRBYAWKYOPDEB-UHFFFAOYSA-N 1 0 247.346 1.625 40 0 BDABRO Clc1nccnc1OC[C@@H]1CCCC[NH2+]1 ZINC000096529984 256646140 /nfs/dbraw/zinc/64/61/40/256646140.db2.gz ZYCLJDVVRVBHFY-QMMMGPOBSA-N 1 0 227.695 1.651 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccc(OC)cc1 ZINC000242723260 388400796 /nfs/dbraw/zinc/40/07/96/388400796.db2.gz YJRBAAJTLOQLSQ-STQMWFEESA-N 1 0 249.310 1.513 40 0 BDABRO Cc1ccncc1N(C)C[C@@H]1CCC[NH2+]C1 ZINC000242718334 388400931 /nfs/dbraw/zinc/40/09/31/388400931.db2.gz XKARMLZKWZCLIT-GFCCVEGCSA-N 1 0 219.332 1.826 40 0 BDABRO CCCCOCCCNC(=O)C[NH2+]C1CC1 ZINC000064875562 388671833 /nfs/dbraw/zinc/67/18/33/388671833.db2.gz KKIYXSFHEIXAMR-UHFFFAOYSA-N 1 0 228.336 1.061 40 0 BDABRO CCOC[C@@H]1C[NH2+]Cc2cn(CC)nc21 ZINC000306141852 388629159 /nfs/dbraw/zinc/62/91/59/388629159.db2.gz WIJPZPNFZUUZPK-JTQLQIEISA-N 1 0 209.293 1.126 40 0 BDABRO Cc1ccncc1[C@@H](C)O[C@@H]1CC[NH2+]C1 ZINC000252478583 388652498 /nfs/dbraw/zinc/65/24/98/388652498.db2.gz APXUOFVCOGKFOI-GHMZBOCLSA-N 1 0 206.289 1.830 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@H]1c1cc(F)ccc1F ZINC000062713738 388655104 /nfs/dbraw/zinc/65/51/04/388655104.db2.gz PGMLHHHLDWBQTK-ONGXEEELSA-N 1 0 213.227 1.390 40 0 BDABRO [NH3+]C[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000079439402 388696095 /nfs/dbraw/zinc/69/60/95/388696095.db2.gz XSWBUHPHPZKADG-JTQLQIEISA-N 1 0 247.346 1.226 40 0 BDABRO C[C@]1(O)C[NH2+]CC[C@@H]1Oc1ccccc1 ZINC000257342319 388698322 /nfs/dbraw/zinc/69/83/22/388698322.db2.gz ZOCSEEMYFWOKEJ-RYUDHWBXSA-N 1 0 207.273 1.178 40 0 BDABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000257244127 388698761 /nfs/dbraw/zinc/69/87/61/388698761.db2.gz IJYLPKCHLCIBCV-VIFPVBQESA-N 1 0 229.287 1.600 40 0 BDABRO [NH3+][C@@H](CN1CCSCC1)c1ccccc1 ZINC000020257447 388759933 /nfs/dbraw/zinc/75/99/33/388759933.db2.gz NPGXXAJBEZQHPB-LBPRGKRZSA-N 1 0 222.357 1.735 40 0 BDABRO C[C@@H]([NH3+])c1nc(CNc2ccccc2)n[nH]1 ZINC000095534649 388780117 /nfs/dbraw/zinc/78/01/17/388780117.db2.gz RAZSVJMFTQVRHB-MRVPVSSYSA-N 1 0 217.276 1.437 40 0 BDABRO Nc1cc(N2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000095831380 132312005 /nfs/dbraw/zinc/31/20/05/132312005.db2.gz GRZPBCDAMJHWCZ-UHFFFAOYSA-N 1 0 245.248 1.697 40 0 BDABRO CCOC(=O)C1=C(C)NC(=[NH2+])N[C@@H]1c1ccco1 ZINC000408731764 133448627 /nfs/dbraw/zinc/44/86/27/133448627.db2.gz PPSYPLAWVKTTJO-SNVBAGLBSA-N 1 0 249.270 1.285 40 0 BDABRO [NH3+]C[C@H](c1ccc(F)c(F)c1)N1CCOCC1 ZINC000022219760 398123912 /nfs/dbraw/zinc/12/39/12/398123912.db2.gz UPWKFLIJBSTMSC-GFCCVEGCSA-N 1 0 242.269 1.297 40 0 BDABRO CC1CCN([C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000037169431 322902191 /nfs/dbraw/zinc/90/21/91/322902191.db2.gz DTCJUNNHIRLILO-QMMMGPOBSA-N 1 0 210.243 1.608 40 0 BDABRO CC(C)OC[C@@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000006469207 167262471 /nfs/dbraw/zinc/26/24/71/167262471.db2.gz UNQYRDSDDCNSAO-AVGNSLFASA-N 1 0 229.364 1.750 40 0 BDABRO FC(F)(F)CN1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000114883837 322914714 /nfs/dbraw/zinc/91/47/14/322914714.db2.gz HMXUITWZJXSEBR-RKDXNWHRSA-N 1 0 222.254 1.765 40 0 BDABRO [NH3+][C@H]1c2ccc(Br)cc2C[C@H]1O ZINC000072406692 410028485 /nfs/dbraw/zinc/02/84/85/410028485.db2.gz YZIMVSYYLNJRLQ-BDAKNGLRSA-N 1 0 228.089 1.366 40 0 BDABRO CC(C)(C)OC(=O)NC12CC(C[NH3+])(C1)CC2 ZINC000306145615 166660000 /nfs/dbraw/zinc/66/00/00/166660000.db2.gz KOZALOFSHAOBKD-UHFFFAOYSA-N 1 0 226.320 1.783 40 0 BDABRO CC(C)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000046959545 166713505 /nfs/dbraw/zinc/71/35/05/166713505.db2.gz YNZFHKONUKWBPI-LBPRGKRZSA-N 1 0 226.364 1.881 40 0 BDABRO CC(C)c1ncc2c(n1)C[C@@H]1CC[C@H]2[NH2+]1 ZINC000019454259 167687126 /nfs/dbraw/zinc/68/71/26/167687126.db2.gz KZJGCZHUEZWMEL-WCBMZHEXSA-N 1 0 203.289 1.949 40 0 BDABRO C[NH+](C)C[C@@H]1COc2ccccc2[C@@H]1N ZINC000062702158 411220248 /nfs/dbraw/zinc/22/02/48/411220248.db2.gz GHGQETRMMUTEAD-BXKDBHETSA-N 1 0 206.289 1.257 40 0 BDABRO CC1=C(c2ccccc2)[N+](=O)C(C)(C)N1O ZINC000019331147 168138757 /nfs/dbraw/zinc/13/87/57/168138757.db2.gz YTYQCDCUFPMWLM-UHFFFAOYSA-N 1 0 218.256 1.707 40 0 BDABRO CCNc1nc(NC(C)C)cc(C2CC2)[nH+]1 ZINC000329040245 170041975 /nfs/dbraw/zinc/04/19/75/170041975.db2.gz SBXPRTXMMNBHHG-UHFFFAOYSA-N 1 0 220.320 1.450 40 0 BDABRO CC[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000085654944 170130451 /nfs/dbraw/zinc/13/04/51/170130451.db2.gz QCHDIJPTNULARN-UHFFFAOYSA-N 1 0 207.199 1.548 40 0 BDABRO CC[NH2+][C@@H]1C(C)=N[C@@H]2C[C@@H](C(=O)OC)CC[C@@H]21 ZINC000222353919 170149591 /nfs/dbraw/zinc/14/95/91/170149591.db2.gz PLYJHDWWKOTOCG-NNYUYHANSA-N 1 0 238.331 1.397 40 0 BDABRO CCOC(=O)C[C@H]([NH3+])c1ccc(O)cc1 ZINC000000372192 170233817 /nfs/dbraw/zinc/23/38/17/170233817.db2.gz ZOXRAHKFGDRAOV-JTQLQIEISA-N 1 0 209.245 1.345 40 0 BDABRO CCOC(=O)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000002511923 170251517 /nfs/dbraw/zinc/25/15/17/170251517.db2.gz WMEYUYSOUHYOPL-VIFPVBQESA-N 1 0 237.255 1.021 40 0 BDABRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000039171497 170259087 /nfs/dbraw/zinc/25/90/87/170259087.db2.gz IAEHFMBLCHNXJS-ZDUSSCGKSA-N 1 0 248.326 1.024 40 0 BDABRO CCOC(=O)[C@H]1CC[NH2+][C@@H]1c1ccccc1 ZINC000082110832 170281574 /nfs/dbraw/zinc/28/15/74/170281574.db2.gz PXFPDTOVEBHWER-NWDGAFQWSA-N 1 0 219.284 1.900 40 0 BDABRO CCOC(=O)c1c(C)n[nH]c1C1CC[NH2+]CC1 ZINC000039953906 170288478 /nfs/dbraw/zinc/28/84/78/170288478.db2.gz RLZFLLYYQFUQNG-UHFFFAOYSA-N 1 0 237.303 1.362 40 0 BDABRO CCOCCCN1CC[NH2+][C@@H]2CCC[C@H]21 ZINC000218841903 170373547 /nfs/dbraw/zinc/37/35/47/170373547.db2.gz XMJKNXPALFVAJK-VXGBXAGGSA-N 1 0 212.337 1.239 40 0 BDABRO CC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000006440694 171341110 /nfs/dbraw/zinc/34/11/10/171341110.db2.gz KPWWZNXTPVTMJE-NWDGAFQWSA-N 1 0 223.316 1.814 40 0 BDABRO CC[C@H](C)[C@H]([NH3+])CN(C)Cc1cn(C)nc1C ZINC000096523964 171396750 /nfs/dbraw/zinc/39/67/50/171396750.db2.gz CIECQBFSPNZESK-GXFFZTMASA-N 1 0 238.379 1.534 40 0 BDABRO CCc1nnc([C@H]([NH3+])Cc2ccccc2)[nH]1 ZINC000048630882 172007435 /nfs/dbraw/zinc/00/74/35/172007435.db2.gz ZIEVCLHUOGIAPU-SNVBAGLBSA-N 1 0 216.288 1.610 40 0 BDABRO CCc1noc(C)c1[C@H]1CCCN1CC[NH3+] ZINC000022763013 172082305 /nfs/dbraw/zinc/08/23/05/172082305.db2.gz KRNAMEUECSAYOV-LLVKDONJSA-N 1 0 223.320 1.641 40 0 BDABRO CCn1ncc(CN(C)C[C@@H]([NH3+])C(C)C)c1C ZINC000096523746 172254887 /nfs/dbraw/zinc/25/48/87/172254887.db2.gz QQPJEGVWDWBYPG-CYBMUJFWSA-N 1 0 238.379 1.627 40 0 BDABRO CCn1ncc2c1[C@@H](COC)C[N@H+](CC1CC1)C2 ZINC000096060164 172257227 /nfs/dbraw/zinc/25/72/27/172257227.db2.gz SYLMFPLZADGJLA-CYBMUJFWSA-N 1 0 249.358 1.859 40 0 BDABRO CN(C(=O)OC(C)(C)C)C1(C)C[NH2+]C1 ZINC000066349396 172324070 /nfs/dbraw/zinc/32/40/70/172324070.db2.gz MRDWQZXOUCMQBF-UHFFFAOYSA-N 1 0 200.282 1.215 40 0 BDABRO CN(C(=O)[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000050008858 172327282 /nfs/dbraw/zinc/32/72/82/172327282.db2.gz DYCCGNGFIHFNHF-JTQLQIEISA-N 1 0 222.263 1.541 40 0 BDABRO CN(C)c1cc(CC[NH3+])nc(-c2ccccn2)n1 ZINC000019584279 172545045 /nfs/dbraw/zinc/54/50/45/172545045.db2.gz MFAZYNCVLATZKT-UHFFFAOYSA-N 1 0 243.314 1.106 40 0 BDABRO CN1C(=O)C2(CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000096244737 173001366 /nfs/dbraw/zinc/00/13/66/173001366.db2.gz FVVATKWJZKMVAI-CYBMUJFWSA-N 1 0 244.338 1.912 40 0 BDABRO C[N@@H+]1CCCC[C@@]12CCN(c1nncs1)C2 ZINC000096203130 173008663 /nfs/dbraw/zinc/00/86/63/173008663.db2.gz ZIZDXTNIGLGMGR-NSHDSACASA-N 1 0 238.360 1.603 40 0 BDABRO C[N@@H+]1CCC[C@@H](Oc2ncccc2N)C1 ZINC000217514858 173022317 /nfs/dbraw/zinc/02/23/17/173022317.db2.gz UQGLMMVVJNNQGB-SECBINFHSA-N 1 0 207.277 1.137 40 0 BDABRO CN1CCC[C@@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000022788807 173035519 /nfs/dbraw/zinc/03/55/19/173035519.db2.gz DRIGFTUOAYXPIK-KGLIPLIRSA-N 1 0 216.328 1.968 40 0 BDABRO C[N@@H+]1CCC[C@H]1c1cnc(N2CCOC2=O)cn1 ZINC000257217694 173058288 /nfs/dbraw/zinc/05/82/88/173058288.db2.gz DAENNKHENYIYIA-JTQLQIEISA-N 1 0 248.286 1.200 40 0 BDABRO C[N@@H+]1CCC[C@]12CCN(c1cccnc1)C2 ZINC000003937365 173061014 /nfs/dbraw/zinc/06/10/14/173061014.db2.gz WIHVDFXARURFKF-CYBMUJFWSA-N 1 0 217.316 1.756 40 0 BDABRO CN1CC[N@H+](C[C@H]2CCOC2)Cc2cccnc21 ZINC000107214627 173085817 /nfs/dbraw/zinc/08/58/17/173085817.db2.gz CSYFYGNWCSOHCY-GFCCVEGCSA-N 1 0 247.342 1.370 40 0 BDABRO C[N@@H+]1CC[C@H](c2[nH]nc3ncccc32)C1 ZINC000257325674 173158176 /nfs/dbraw/zinc/15/81/76/173158176.db2.gz WTYKKUDZSCNUPW-QMMMGPOBSA-N 1 0 202.261 1.377 40 0 BDABRO CN(C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccc(N)cc1 ZINC000217664372 173179696 /nfs/dbraw/zinc/17/96/96/173179696.db2.gz LOROOKGTJUHXJH-CHWSQXEVSA-N 1 0 247.342 1.002 40 0 BDABRO C[NH+]1C[C@H]2CN(C(=O)Cc3ccccc3)C[C@@H]2C1 ZINC000063527583 173198017 /nfs/dbraw/zinc/19/80/17/173198017.db2.gz ZHSCMOMDLZUXSV-KBPBESRZSA-N 1 0 244.338 1.249 40 0 BDABRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832074 173298473 /nfs/dbraw/zinc/29/84/73/173298473.db2.gz KSPKXQPGGJTNJE-CYBMUJFWSA-N 1 0 232.327 1.645 40 0 BDABRO CNC(=O)[C@]1(CCCc2ccncc2)CCC[NH2+]1 ZINC000072344215 173308859 /nfs/dbraw/zinc/30/88/59/173308859.db2.gz WOPJYDCUIBSSRT-AWEZNQCLSA-N 1 0 247.342 1.273 40 0 BDABRO CNC(=O)c1ncccc1-c1cccc(C[NH3+])c1 ZINC000257295163 173314951 /nfs/dbraw/zinc/31/49/51/173314951.db2.gz QXGBXWZALQDCAB-UHFFFAOYSA-N 1 0 241.294 1.567 40 0 BDABRO C[NH2+]C1CCN(Cc2cncs2)CC1 ZINC000072203310 173323183 /nfs/dbraw/zinc/32/31/83/173323183.db2.gz BLPVCLMAVLWITR-UHFFFAOYSA-N 1 0 211.334 1.327 40 0 BDABRO C[NH2+]C[C@@H](C)Cc1ccc2c(c1)OCO2 ZINC000071746256 173363745 /nfs/dbraw/zinc/36/37/45/173363745.db2.gz OUDAACSONIJLOT-VIFPVBQESA-N 1 0 207.273 1.813 40 0 in-vitro BDABRO C[NH2+]C[C@@H](OC)c1c(F)cccc1F ZINC000062711490 173366146 /nfs/dbraw/zinc/36/61/46/173366146.db2.gz FSZGMWCVLBZNEC-SECBINFHSA-N 1 0 201.216 1.872 40 0 BDABRO C[NH2+]C[C@@H](O)c1ccc(Br)c(O)c1 ZINC000077284972 173366408 /nfs/dbraw/zinc/36/64/08/173366408.db2.gz HORCUMBGZJNHOT-SECBINFHSA-N 1 0 246.104 1.408 40 0 in-vitro BDABRO C[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000022910246 173381035 /nfs/dbraw/zinc/38/10/35/173381035.db2.gz GSXQCTVTYCDGDP-CYBMUJFWSA-N 1 0 204.317 1.870 40 0 BDABRO C[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000040999830 173393707 /nfs/dbraw/zinc/39/37/07/173393707.db2.gz OIZLQWAKRPUZRW-UHFFFAOYSA-N 1 0 208.290 1.263 40 0 BDABRO C[NH2+]Cc1nnc2n1CC[C@@H](C(F)(F)F)C2 ZINC000328579536 173398873 /nfs/dbraw/zinc/39/88/73/173398873.db2.gz NZPDSCBJGMHUAD-ZCFIWIBFSA-N 1 0 234.225 1.122 40 0 BDABRO C[NH2+][C@H]1CC[C@H](N(C(C)=O)C(C)C)CC1 ZINC000100178730 173438564 /nfs/dbraw/zinc/43/85/64/173438564.db2.gz QEJLWFXNQCTMFB-TXEJJXNPSA-N 1 0 212.337 1.774 40 0 BDABRO COC(=O)c1ccc2c(c1)CC[C@@]21CC[NH2+]1 ZINC000306145692 173890247 /nfs/dbraw/zinc/89/02/47/173890247.db2.gz NUOULVWORMUARZ-CYBMUJFWSA-N 1 0 217.268 1.608 40 0 BDABRO COCCC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219075 174247137 /nfs/dbraw/zinc/24/71/37/174247137.db2.gz BKWKARLXRROLAY-SNVBAGLBSA-N 1 0 231.336 1.590 40 0 BDABRO COCC[NH+]1CCC(c2nnc(C)o2)CC1 ZINC000072357038 174305281 /nfs/dbraw/zinc/30/52/81/174305281.db2.gz LNKXRGDREWRSKH-UHFFFAOYSA-N 1 0 225.292 1.204 40 0 BDABRO COCC[NH+]1CCC(c2cncc(C)n2)CC1 ZINC000072381552 174305339 /nfs/dbraw/zinc/30/53/39/174305339.db2.gz AORMPXUQZLBXSW-UHFFFAOYSA-N 1 0 235.331 1.611 40 0 BDABRO COCC[N@@H+]1CC[C@H](OC)[C@@H]1Cc1ccccc1 ZINC000096200387 174316515 /nfs/dbraw/zinc/31/65/15/174316515.db2.gz HJOYELJWFYWHMX-GJZGRUSLSA-N 1 0 249.354 1.965 40 0 BDABRO COCC[N@@H+]1C[C@H](O)C[C@@H]1CC(C)C ZINC000217886638 174318212 /nfs/dbraw/zinc/31/82/12/174318212.db2.gz KCSROKQMPMKGEU-WDEREUQCSA-N 1 0 201.310 1.114 40 0 BDABRO COCCO[C@H]1C[NH2+][C@@H](CC(C)C)C1 ZINC000217864796 174366623 /nfs/dbraw/zinc/36/66/23/174366623.db2.gz JGNBTESGAWQZKP-WDEREUQCSA-N 1 0 201.310 1.426 40 0 BDABRO COc1cc(OC)c([C@H]2C[C@@H]2[NH3+])c(OC)c1 ZINC000037381187 175008037 /nfs/dbraw/zinc/00/80/37/175008037.db2.gz PSZZKLQZWAAUIU-IUCAKERBSA-N 1 0 223.272 1.527 40 0 BDABRO COc1ccc(C)cc1C[NH2+]C(C)(C)CO ZINC000035219726 175075277 /nfs/dbraw/zinc/07/52/77/175075277.db2.gz QZQGYQKMNSMNOT-UHFFFAOYSA-N 1 0 223.316 1.864 40 0 BDABRO COc1ccc(C2(CN3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000096523478 175084393 /nfs/dbraw/zinc/08/43/93/175084393.db2.gz CXSADOMALXXCDT-CYBMUJFWSA-N 1 0 246.354 1.760 40 0 BDABRO COc1ccc(F)c(CN2CC[C@@H]([NH3+])C2)c1 ZINC000038539004 175123981 /nfs/dbraw/zinc/12/39/81/175123981.db2.gz YWHRNYUPMVVYAR-SNVBAGLBSA-N 1 0 224.279 1.367 40 0 BDABRO COc1ccc(NCc2n[nH]c([C@@H](C)[NH3+])n2)cc1 ZINC000095534651 175153301 /nfs/dbraw/zinc/15/33/01/175153301.db2.gz OAUBLJIYEDLJST-MRVPVSSYSA-N 1 0 247.302 1.445 40 0 BDABRO COc1ccc2c(c1)CCC[C@@]21COCC[NH2+]1 ZINC000306145671 175207633 /nfs/dbraw/zinc/20/76/33/175207633.db2.gz MXMDQXZXLXWSDW-CQSZACIVSA-N 1 0 233.311 1.847 40 0 BDABRO COc1ccc2nc3c(cc2c1)C[NH2+]CCO3 ZINC000019563646 175230113 /nfs/dbraw/zinc/23/01/13/175230113.db2.gz KHXNLSXYMYLEKW-UHFFFAOYSA-N 1 0 230.267 1.725 40 0 BDABRO COc1cccc(CC2(C[NH3+])CCOCC2)c1 ZINC000061673926 175251210 /nfs/dbraw/zinc/25/12/10/175251210.db2.gz HWUGFBJKKODNLC-UHFFFAOYSA-N 1 0 235.327 1.993 40 0 BDABRO COc1cccc([C@@H]2CN(C)C[C@H]2[NH3+])c1OC ZINC000082331244 175291210 /nfs/dbraw/zinc/29/12/10/175291210.db2.gz ZKYQIWYYJQYSPJ-WDEREUQCSA-N 1 0 236.315 1.060 40 0 BDABRO COc1ccccc1-c1nc(CC[NH3+])no1 ZINC000008729370 175310972 /nfs/dbraw/zinc/31/09/72/175310972.db2.gz AUYUVOBOSBTPQZ-UHFFFAOYSA-N 1 0 219.244 1.246 40 0 BDABRO COc1ccccc1CN(C(=O)C[NH3+])C1CC1 ZINC000032089738 175324409 /nfs/dbraw/zinc/32/44/09/175324409.db2.gz QQCGRFMRVGXSHO-UHFFFAOYSA-N 1 0 234.299 1.145 40 0 BDABRO C[C@@H]([C@H]([NH3+])c1ccc(F)cc1)S(C)(=O)=O ZINC000075418418 176011944 /nfs/dbraw/zinc/01/19/44/176011944.db2.gz ALCYFFYWNBELAH-XVKPBYJWSA-N 1 0 231.292 1.259 40 0 BDABRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](O)C1 ZINC000072203944 176027232 /nfs/dbraw/zinc/02/72/32/176027232.db2.gz IKDJNGOSFJDSOY-QWRGUYRKSA-N 1 0 206.289 1.599 40 0 BDABRO C[C@@H]1CC(C)(C)[NH2+][C@H]([C@@H]2CCC=CO2)N1 ZINC000019325700 176052689 /nfs/dbraw/zinc/05/26/89/176052689.db2.gz HDKKTOGRZBBVBD-OUAUKWLOSA-N 1 0 210.321 1.755 40 0 BDABRO C[C@@H]1CCCCN1C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000020597453 176066472 /nfs/dbraw/zinc/06/64/72/176066472.db2.gz YDGAUSYYGSGDDL-NEPJUHHUSA-N 1 0 224.348 1.920 40 0 BDABRO C[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1F ZINC000054374688 176327131 /nfs/dbraw/zinc/32/71/31/176327131.db2.gz NXVDTYVPPZPWEA-SECBINFHSA-N 1 0 226.270 1.759 40 0 BDABRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000084237613 176328834 /nfs/dbraw/zinc/32/88/34/176328834.db2.gz WIBUZVNGCRFGHO-UWVGGRQHSA-N 1 0 228.336 1.757 40 0 BDABRO C[C@@H]1CSC=[N+]1C[C@H](O)c1ccccc1 ZINC000001707345 176349288 /nfs/dbraw/zinc/34/92/88/176349288.db2.gz WWIJZDOVCPQYKX-PWSUYJOCSA-N 1 0 222.333 1.896 40 0 BDABRO C[C@H](c1ccccn1)[NH+]1CCC(CO)CC1 ZINC000072203921 177043557 /nfs/dbraw/zinc/04/35/57/177043557.db2.gz WYZMMHCFCIVGAY-LLVKDONJSA-N 1 0 220.316 1.847 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)CCc1ccccc1 ZINC000054370244 177282702 /nfs/dbraw/zinc/28/27/02/177282702.db2.gz UJPWAQLDRTVTNX-LBPRGKRZSA-N 1 0 232.327 1.440 40 0 BDABRO O=c1[nH]c([C@@H]2CCC[NH2+]2)nc2ccncc21 ZINC000253536338 324191518 /nfs/dbraw/zinc/19/15/18/324191518.db2.gz NYNVJYWMUIFUNC-VIFPVBQESA-N 1 0 216.244 1.155 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]C=C[C@@H]21 ZINC000228931811 518815009 /nfs/dbraw/zinc/81/50/09/518815009.db2.gz FHYMBTSBUBUOJC-BDAKNGLRSA-N 1 0 210.277 1.481 40 0 BDABRO CC(C)Oc1nn(C)c2cc(C[NH3+])ccc12 ZINC000225772683 519786240 /nfs/dbraw/zinc/78/62/40/519786240.db2.gz MWBHDORLMNDSRV-UHFFFAOYSA-N 1 0 219.288 1.819 40 0 BDABRO CCn1nccc1C[NH2+]Cc1cn(C)nc1C ZINC000020349861 523730689 /nfs/dbraw/zinc/73/06/89/523730689.db2.gz MZLQCPYWQUTBTO-UHFFFAOYSA-N 1 0 233.319 1.235 40 0 BDABRO C[C@H]([NH3+])COc1nn(C)c2ccccc21 ZINC000225774523 524835096 /nfs/dbraw/zinc/83/50/96/524835096.db2.gz CSIDZTFIVQEZOW-QMMMGPOBSA-N 1 0 205.261 1.299 40 0 BDABRO C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@@H]([NH3+])[C@H]21 ZINC000242687332 525157781 /nfs/dbraw/zinc/15/77/81/525157781.db2.gz UFRGULWDRREEHF-JGKVKWKGSA-N 1 0 223.238 1.937 40 0 BDABRO C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@@H]([NH3+])[C@@H]21 ZINC000242687333 525157874 /nfs/dbraw/zinc/15/78/74/525157874.db2.gz UFRGULWDRREEHF-OKNNCHMLSA-N 1 0 223.238 1.937 40 0 BDABRO c1ccc(CNCC[NH2+]Cc2ccccn2)nc1 ZINC000022922767 526472872 /nfs/dbraw/zinc/47/28/72/526472872.db2.gz RJTZQPTVNWCDBI-UHFFFAOYSA-N 1 0 242.326 1.356 40 0 BDABRO [NH3+]CCCNCc1ccccc1Br ZINC000037713418 527179781 /nfs/dbraw/zinc/17/97/81/527179781.db2.gz SEZVPKPYUHGCHD-UHFFFAOYSA-N 1 0 243.148 1.888 40 0 biogenic,in-vitro BDABRO [NH3+]C[C@@H]1C[C@H](C(F)(F)F)C[C@@H]2OCC[C@H]21 ZINC000242688407 527220638 /nfs/dbraw/zinc/22/06/38/527220638.db2.gz VPKPDQBQCZBISA-JBDRJPRFSA-N 1 0 223.238 1.939 40 0 BDABRO CC(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC000074713293 592308659 /nfs/dbraw/zinc/30/86/59/592308659.db2.gz NVKYYMGBMFDAQM-UHFFFAOYSA-N 1 0 212.337 1.491 40 0 BDABRO CC(C)c1cc([C@@H]2CCCN2CC[NH3+])on1 ZINC000022763002 635293714 /nfs/dbraw/zinc/29/37/14/635293714.db2.gz PXXWGZANNCALLF-NSHDSACASA-N 1 0 223.320 1.894 40 0 BDABRO CCN1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000084772758 643672417 /nfs/dbraw/zinc/67/24/17/643672417.db2.gz ICFSFXTYEIPUJK-SECBINFHSA-N 1 0 208.280 1.783 40 0 BDABRO COC1=CC2=C[NH2+]CCC[C@H]2C=C1OC ZINC001570007903 992436361 /nfs/dbraw/zinc/43/63/61/992436361.db2.gz QXQILGOWXPCKRX-VIFPVBQESA-N 1 0 207.273 1.944 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@@H]2[NH3+] ZINC000071373453 398147769 /nfs/dbraw/zinc/14/77/69/398147769.db2.gz KBFKGKCNVPZMHL-XHNCKOQMSA-N 1 0 212.293 1.343 40 0 BDABRO CC(C)(C)OC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000071373379 398148121 /nfs/dbraw/zinc/14/81/21/398148121.db2.gz ZVFIWIQKOQJBCE-VIFPVBQESA-N 1 0 226.320 1.653 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000072361113 343979902 /nfs/dbraw/zinc/97/99/02/343979902.db2.gz CTHOPKQUJJLPMQ-NSHDSACASA-N 1 0 234.347 1.894 40 0 BDABRO Cc1cc(F)ccc1CN1CC[C@@H]([NH3+])C1 ZINC000038538932 178084815 /nfs/dbraw/zinc/08/48/15/178084815.db2.gz OYIDYQOCCWQVMH-GFCCVEGCSA-N 1 0 208.280 1.667 40 0 BDABRO Cc1cc2c(cc1C[N@@H+]1CC[C@H](CO)C1)OCO2 ZINC000013570132 178289472 /nfs/dbraw/zinc/28/94/72/178289472.db2.gz CGVJBJAGEGJGBD-NSHDSACASA-N 1 0 249.310 1.538 40 0 BDABRO Cc1cc2nc(NC(N)=[NH2+])[nH]c2cc1C ZINC000022130389 178301754 /nfs/dbraw/zinc/30/17/54/178301754.db2.gz ITKFRENCGKAVOT-UHFFFAOYSA-N 1 0 203.249 1.485 40 0 BDABRO [NH3+]Cc1ccc([C@@H]2CCNC(=O)C2)cc1 ZINC000199775837 398265517 /nfs/dbraw/zinc/26/55/17/398265517.db2.gz WPHFTBVURBZULI-LLVKDONJSA-N 1 0 204.273 1.139 40 0 BDABRO Cc1ccc(OCC[NH+]2CCCC2)cn1 ZINC000256054868 398269342 /nfs/dbraw/zinc/26/93/42/398269342.db2.gz YCXPMDROQMUECO-UHFFFAOYSA-N 1 0 206.289 1.865 40 0 BDABRO CCn1c2ccccc2cc(CC[NH3+])c1=O ZINC000072206564 259314913 /nfs/dbraw/zinc/31/49/13/259314913.db2.gz UILZLEQVMKGRAO-UHFFFAOYSA-N 1 0 216.284 1.523 40 0 BDABRO C[C@H](CC(=O)N1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000072208221 259315384 /nfs/dbraw/zinc/31/53/84/259315384.db2.gz CQIWEMXKIGUBDA-NEPJUHHUSA-N 1 0 240.347 1.014 40 0 BDABRO CCOC(=O)C[C@@H]([NH2+]C)c1ccc(OC)cc1 ZINC000072210275 259316370 /nfs/dbraw/zinc/31/63/70/259316370.db2.gz CLDUPDNCUMDTFC-GFCCVEGCSA-N 1 0 237.299 1.909 40 0 BDABRO COc1cc(C[NH2+]CC(OC)OC)ccc1O ZINC000003847439 342738035 /nfs/dbraw/zinc/73/80/35/342738035.db2.gz IMOOKUBCIPWRMQ-UHFFFAOYSA-N 1 0 241.287 1.109 40 0 BDABRO COc1cc(C(=O)CC[NH+](C)C)ccc1O ZINC000004792435 342752428 /nfs/dbraw/zinc/75/24/28/342752428.db2.gz AYNKCYRBOBGZMH-UHFFFAOYSA-N 1 0 223.272 1.535 40 0 BDABRO CC[NH2+]CCn1ncc([C@@H](C)OC)c1C ZINC000072219905 259319010 /nfs/dbraw/zinc/31/90/10/259319010.db2.gz AFKVXLFHRJVHKX-SNVBAGLBSA-N 1 0 211.309 1.508 40 0 BDABRO Cc1ccc(NC(=O)C[NH+]2CCCC2)c(N)c1 ZINC000008703610 342802974 /nfs/dbraw/zinc/80/29/74/342802974.db2.gz BGKICLVXCZMOKD-UHFFFAOYSA-N 1 0 233.315 1.612 40 0 BDABRO CCOCC[N@@H+]1C[C@H](O)C[C@H]1C(C)C ZINC000242677080 259326188 /nfs/dbraw/zinc/32/61/88/259326188.db2.gz SYFIHBZJMLYIOZ-MNOVXSKESA-N 1 0 201.310 1.114 40 0 BDABRO Cc1c[nH+]c(NC[C@H]2CCCO2)c(N)c1 ZINC000036226368 342898599 /nfs/dbraw/zinc/89/85/99/342898599.db2.gz KWVBGUXOSBONQM-SECBINFHSA-N 1 0 207.277 1.563 40 0 BDABRO O=c1[nH]c(C[NH+]2CCCCC2)ccc1O ZINC000017105788 342920660 /nfs/dbraw/zinc/92/06/60/342920660.db2.gz DFWKEKUAHFGSFZ-UHFFFAOYSA-N 1 0 208.261 1.066 40 0 BDABRO CN(C)c1cc(C[NH3+])nc(-c2cccnc2)n1 ZINC000019584487 342951770 /nfs/dbraw/zinc/95/17/70/342951770.db2.gz BMPCRKSQUZCZPS-UHFFFAOYSA-N 1 0 229.287 1.063 40 0 BDABRO [NH3+][C@H](Cc1ccccc1)CN1CCCC1 ZINC000020071387 342968125 /nfs/dbraw/zinc/96/81/25/342968125.db2.gz YDLCAQYNXGDYTM-CYBMUJFWSA-N 1 0 204.317 1.652 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccs1 ZINC000259739547 343138058 /nfs/dbraw/zinc/13/80/58/343138058.db2.gz RWIPGVSQZWLLSB-JGVFFNPUSA-N 1 0 211.286 1.224 40 0 BDABRO COC(=O)[C@@H]1C[C@@H]2C[C@@H](C2(C)C)[C@]1(C)[NH3+] ZINC000032098955 343228854 /nfs/dbraw/zinc/22/88/54/343228854.db2.gz UIZCHFQVEWSSEE-JDVQERKKSA-N 1 0 211.305 1.559 40 0 BDABRO CC(C)N(Cc1ccccc1F)C(=O)C[NH3+] ZINC000032014791 343290599 /nfs/dbraw/zinc/29/05/99/343290599.db2.gz MXABFSURVUXVDL-UHFFFAOYSA-N 1 0 224.279 1.521 40 0 BDABRO Cc1cccc(CN(C(=O)C[NH3+])C(C)C)c1 ZINC000032013717 343290629 /nfs/dbraw/zinc/29/06/29/343290629.db2.gz PPSBAFNEPNTYSG-UHFFFAOYSA-N 1 0 220.316 1.691 40 0 BDABRO Fc1cc(CN2CC[NH2+]CC2)ccc1Cl ZINC000043391262 343469060 /nfs/dbraw/zinc/46/90/60/343469060.db2.gz JEWINVCKEUVJFT-UHFFFAOYSA-N 1 0 228.698 1.884 40 0 BDABRO COC[C@H](C)[NH2+]CCC(=O)OC(C)(C)C ZINC000047218946 343559072 /nfs/dbraw/zinc/55/90/72/343559072.db2.gz ONKOOACPPITSHE-VIFPVBQESA-N 1 0 217.309 1.343 40 0 BDABRO CC[C@@H]([C@H]([NH3+])c1cccc(N)c1)S(C)(=O)=O ZINC000096524879 343759083 /nfs/dbraw/zinc/75/90/83/343759083.db2.gz KGHKWRCDTXOYRN-WDEREUQCSA-N 1 0 242.344 1.092 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339414486 343791449 /nfs/dbraw/zinc/79/14/49/343791449.db2.gz COSKYFFRQNIANL-GFCCVEGCSA-N 1 0 238.335 1.063 40 0 BDABRO [NH3+]CC1(c2ccccc2)CC2(COC2)C1 ZINC000389561464 343810185 /nfs/dbraw/zinc/81/01/85/343810185.db2.gz CXYJYCAOCAKVQO-UHFFFAOYSA-N 1 0 203.285 1.694 40 0 BDABRO c1nn(-c2cnccn2)cc1C1CC[NH2+]CC1 ZINC000575623410 343876074 /nfs/dbraw/zinc/87/60/74/343876074.db2.gz PNWUOQGNSCIIMG-UHFFFAOYSA-N 1 0 229.287 1.129 40 0 BDABRO CC(C)(C)OC(=O)N1CC(C[C@H](F)C[NH3+])C1 ZINC000585142667 343877023 /nfs/dbraw/zinc/87/70/23/343877023.db2.gz UXIGXODDAFKTJI-VIFPVBQESA-N 1 0 232.299 1.540 40 0 BDABRO Cc1nc(COC[C@H]2CCCC[NH2+]2)co1 ZINC000585144062 343879133 /nfs/dbraw/zinc/87/91/33/343879133.db2.gz BFUIWWNSUVQBSI-SNVBAGLBSA-N 1 0 210.277 1.642 40 0 BDABRO C[NH2+]Cc1cnn(C[C@@H]2CCCOC2)c1 ZINC000575623242 343875513 /nfs/dbraw/zinc/87/55/13/343875513.db2.gz BFAJBVAHPCYWSQ-JTQLQIEISA-N 1 0 209.293 1.029 40 0 BDABRO C[C@@H](O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000041252119 344088295 /nfs/dbraw/zinc/08/82/95/344088295.db2.gz PAGDUQZADLZDNJ-MUWHJKNJSA-N 1 0 230.105 1.830 40 0 BDABRO CO[C@@H]1CCOC2(CN(Cc3ccco3)C2)C1 ZINC000585105382 344134523 /nfs/dbraw/zinc/13/45/23/344134523.db2.gz VRCOIFKANVKCJQ-LLVKDONJSA-N 1 0 237.299 1.659 40 0 BDABRO C[NH2+]C[C@H]1C[C@@]12CCOc1ccccc12 ZINC000054589278 259373827 /nfs/dbraw/zinc/37/38/27/259373827.db2.gz KOEDKUUFMBXKGV-MFKMUULPSA-N 1 0 203.285 1.946 40 0 BDABRO [NH3+]C[C@H]1CCCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000087798448 344236661 /nfs/dbraw/zinc/23/66/61/344236661.db2.gz LBFLLMHRAQRWRD-SSDOTTSWSA-N 1 0 242.710 1.011 40 0 BDABRO C[C@@]1(c2ccnc3ccnn32)CCC[NH2+]1 ZINC000585178915 344276319 /nfs/dbraw/zinc/27/63/19/344276319.db2.gz NZWHPOSADPHDFJ-NSHDSACASA-N 1 0 202.261 1.328 40 0 BDABRO C[C@H](c1ccccn1)[N@@H+]1CCCC[C@H]1CO ZINC000101682257 344424302 /nfs/dbraw/zinc/42/43/02/344424302.db2.gz TZMPUWQLONXYTH-NEPJUHHUSA-N 1 0 220.316 1.989 40 0 BDABRO C[NH2+]Cc1cn(Cc2ccccc2)cn1 ZINC000107369649 344425400 /nfs/dbraw/zinc/42/54/00/344425400.db2.gz JWESQEIYSVAFIJ-UHFFFAOYSA-N 1 0 201.273 1.651 40 0 BDABRO [NH3+]Cc1cncn1Cc1ccc(F)cc1F ZINC000085198610 344506492 /nfs/dbraw/zinc/50/64/92/344506492.db2.gz MIXZEHJFTRYPLB-UHFFFAOYSA-N 1 0 223.226 1.668 40 0 BDABRO C[C@@H]([NH3+])[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000072208853 344511287 /nfs/dbraw/zinc/51/12/87/344511287.db2.gz CABIRYRCSXLJTD-VGMNWLOBSA-N 1 0 232.299 1.681 40 0 BDABRO [NH3+]CCc1ccn(Cc2ccccc2)n1 ZINC000238589733 345083975 /nfs/dbraw/zinc/08/39/75/345083975.db2.gz IOXNNMOAKJMMNZ-UHFFFAOYSA-N 1 0 201.273 1.433 40 0 BDABRO Nc1ccc(OCC[C@H]2CCCC[NH2+]2)nc1 ZINC000168995642 345827871 /nfs/dbraw/zinc/82/78/71/345827871.db2.gz MNGXTXDMJLMQAQ-LLVKDONJSA-N 1 0 221.304 1.575 40 0 BDABRO O=C1CCC[C@H]2[C@@H]3C[C@H](CN12)[C@H]1CCCC[N@@H+]1C3 ZINC000005382580 346262979 /nfs/dbraw/zinc/26/29/79/346262979.db2.gz JYIJIIVLEOETIQ-SYQHCUMBSA-N 1 0 248.370 1.872 40 0 biogenic BDABRO Cc1cccc(CN2CC[C@H]([NH3+])C2)c1F ZINC000038538807 179082864 /nfs/dbraw/zinc/08/28/64/179082864.db2.gz HGKXEGLCRQERCA-NSHDSACASA-N 1 0 208.280 1.667 40 0 BDABRO CCCC[C@@H](CC)C[NH+](CCO)CCO ZINC000001591855 346450449 /nfs/dbraw/zinc/45/04/49/346450449.db2.gz QCHFGCDNLNBQLJ-GFCCVEGCSA-N 1 0 217.353 1.489 40 0 BDABRO Cc1cccc(N2CC[C@@H](OCCC[NH3+])C2)c1 ZINC000096528376 179122882 /nfs/dbraw/zinc/12/28/82/179122882.db2.gz NOUCEFSJPLQXFI-CQSZACIVSA-N 1 0 234.343 1.939 40 0 BDABRO Cc1cccc(NC(=O)[C@@H]([NH3+])C(C)C)n1 ZINC000011805355 179137481 /nfs/dbraw/zinc/13/74/81/179137481.db2.gz RPPGMUVXFFONCE-JTQLQIEISA-N 1 0 207.277 1.312 40 0 BDABRO Cc1cccc(N[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC000106980400 179157954 /nfs/dbraw/zinc/15/79/54/179157954.db2.gz NEWIHMPRBHSVJE-ZIAGYGMSSA-N 1 0 232.327 1.928 40 0 BDABRO Cc1cccc(OC[C@H](O)C[NH2+]C2CC2)c1 ZINC000032013890 179170577 /nfs/dbraw/zinc/17/05/77/179170577.db2.gz VWIQRVMDMIGLEV-GFCCVEGCSA-N 1 0 221.300 1.487 40 0 BDABRO Cc1cccc([C@@H]([NH3+])[C@@H](C)S(C)(=O)=O)c1 ZINC000096524800 179187105 /nfs/dbraw/zinc/18/71/05/179187105.db2.gz DTDYLUSMEZVZIM-KOLCDFICSA-N 1 0 227.329 1.428 40 0 BDABRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1[NH3+] ZINC000097759073 347285935 /nfs/dbraw/zinc/28/59/35/347285935.db2.gz JJWSEQIPGLDBOO-VHSXEESVSA-N 1 0 228.336 1.981 40 0 BDABRO Cc1ccccc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036236615 179248852 /nfs/dbraw/zinc/24/88/52/179248852.db2.gz QMNWIDJQUYDBNZ-WCQYABFASA-N 1 0 230.311 1.429 40 0 BDABRO Cc1ccccc1CN[C@H]1CCC[NH2+]C1 ZINC000043327096 179283882 /nfs/dbraw/zinc/28/38/82/179283882.db2.gz VALRSSHULKTZPQ-ZDUSSCGKSA-N 1 0 204.317 1.837 40 0 BDABRO Cc1ccsc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000070949796 179539794 /nfs/dbraw/zinc/53/97/94/179539794.db2.gz LVCRTSYOSTTXAT-VIFPVBQESA-N 1 0 224.329 1.538 40 0 BDABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000205689772 348575961 /nfs/dbraw/zinc/57/59/61/348575961.db2.gz BZYJPJQGIZGTFJ-LLVKDONJSA-N 1 0 205.305 1.917 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000038539819 348704559 /nfs/dbraw/zinc/70/45/59/348704559.db2.gz ZZUSTKDKBUGZGA-LLVKDONJSA-N 1 0 226.270 1.888 40 0 BDABRO CCCNc1ncc(C[NH2+][C@@H](CC)CO)cn1 ZINC000062717681 259407549 /nfs/dbraw/zinc/40/75/49/259407549.db2.gz DDHBRUSWVCFMJH-NSHDSACASA-N 1 0 238.335 1.159 40 0 BDABRO CC(C)(C)OC(=O)N[C@@]1(CF)CC[NH2+]C1 ZINC000039094081 349275301 /nfs/dbraw/zinc/27/53/01/349275301.db2.gz OFIDGFKUTVYMAH-SNVBAGLBSA-N 1 0 218.272 1.213 40 0 BDABRO COc1ccc(CC(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000054369760 187437011 /nfs/dbraw/zinc/43/70/11/187437011.db2.gz MNRHURYJSIMRMF-LLVKDONJSA-N 1 0 248.326 1.058 40 0 BDABRO COC(=O)CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022538776 350113318 /nfs/dbraw/zinc/11/33/18/350113318.db2.gz RWFHGQXTRZOVHY-PHIMTYICSA-N 1 0 213.321 1.918 40 0 BDABRO C/C=C(\C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000222123781 350099355 /nfs/dbraw/zinc/09/93/55/350099355.db2.gz YSCOJTNVPYCWEG-MJMLHWTPSA-N 1 0 210.321 1.538 40 0 BDABRO Cc1nc([C@H]2C[NH2+]C[C@@H]2c2ccccc2)no1 ZINC000328579452 180057042 /nfs/dbraw/zinc/05/70/42/180057042.db2.gz JNGSNVZSUWUWMM-NEPJUHHUSA-N 1 0 229.283 1.849 40 0 BDABRO Cc1nc2ccc(NC(=O)C3C[NH2+]C3)cc2s1 ZINC000072344623 180094546 /nfs/dbraw/zinc/09/45/46/180094546.db2.gz LRTOUVGOGHAXSP-UHFFFAOYSA-N 1 0 247.323 1.763 40 0 BDABRO Cc1ccsc1CNCC[NH2+]C[C@@H](C)O ZINC000023254514 350200343 /nfs/dbraw/zinc/20/03/43/350200343.db2.gz KBMAJWIPXKQATR-SNVBAGLBSA-N 1 0 228.361 1.117 40 0 BDABRO Cc1nccn1[C@@H]1CCC[N@H+](C[C@@H]2CO2)C1 ZINC000096510521 180272577 /nfs/dbraw/zinc/27/25/77/180272577.db2.gz LMWGTGDTFNJUHL-VXGBXAGGSA-N 1 0 221.304 1.227 40 0 BDABRO COC[C@H]1CCCCN1c1ccc(N)cn1 ZINC000396017102 350266628 /nfs/dbraw/zinc/26/66/28/350266628.db2.gz UIHZGSRHHJWVKQ-LLVKDONJSA-N 1 0 221.304 1.669 40 0 BDABRO CCOc1cc(CC[NH3+])cc(OC)c1OC ZINC000027302572 350301707 /nfs/dbraw/zinc/30/17/07/350301707.db2.gz HNBAVLIQFTYMAX-UHFFFAOYSA-N 1 0 225.288 1.604 40 0 in-vitro BDABRO Cc1nn(C)c(C)c1[C@@H](O)C1(C[NH3+])CCC1 ZINC000085395971 180348193 /nfs/dbraw/zinc/34/81/93/180348193.db2.gz URXCEDYVPWTDMG-LLVKDONJSA-N 1 0 223.320 1.199 40 0 BDABRO CCC[n+]1ccc(-c2nn3cnnc3s2)cc1 ZINC000226773794 187466864 /nfs/dbraw/zinc/46/68/64/187466864.db2.gz DLHSTKCQGHGXMQ-UHFFFAOYSA-N 1 0 246.319 1.550 40 0 BDABRO C[C@H]([NH3+])C(=O)NCc1cccc(Cl)c1 ZINC000035661243 363144290 /nfs/dbraw/zinc/14/42/90/363144290.db2.gz DSWJJKZWLFERDF-ZETCQYMHSA-N 1 0 212.680 1.303 40 0 BDABRO CC(C)(C)[C@H](NO)[C@H](O)N1CCCCC1 ZINC000001704717 188100416 /nfs/dbraw/zinc/10/04/16/188100416.db2.gz UXUMECWATOLKFW-ZJUUUORDSA-N 1 0 216.325 1.184 40 0 BDABRO O=C1c2ccccc2[N+](=O)C1c1ccccn1 ZINC000002573143 188101277 /nfs/dbraw/zinc/10/12/77/188101277.db2.gz LXEZPPZLNVOLDI-UHFFFAOYSA-N 1 0 224.219 1.909 40 0 in-vitro BDABRO COc1ccccc1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000011958399 188104707 /nfs/dbraw/zinc/10/47/07/188104707.db2.gz BTLNHXBSZBXFJG-LBPRGKRZSA-N 1 0 236.315 1.295 40 0 BDABRO O=C(NC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000087654683 188144805 /nfs/dbraw/zinc/14/48/05/188144805.db2.gz KEUFRBOTWYKTDC-SECBINFHSA-N 1 0 238.718 1.679 40 0 BDABRO CNc1nccnc1[C@H]1CCC[N@H+](C)C1 ZINC000072381227 188132104 /nfs/dbraw/zinc/13/21/04/188132104.db2.gz QKQKYMXOHYITPZ-VIFPVBQESA-N 1 0 206.293 1.328 40 0 BDABRO Cc1ccnc2[nH]c([C@H]3CCC[NH2+]C3)nc21 ZINC000071257643 188220856 /nfs/dbraw/zinc/22/08/56/188220856.db2.gz XIDSUJPTTFIYOP-VIFPVBQESA-N 1 0 216.288 1.733 40 0 BDABRO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C)CC1 ZINC000011960891 188232522 /nfs/dbraw/zinc/23/25/22/188232522.db2.gz KQJZWORGIQZKCE-NSHDSACASA-N 1 0 212.337 1.618 40 0 BDABRO O=C1C[C@H](c2ccccc2)CN1C1CC[NH2+]CC1 ZINC000016698279 353578146 /nfs/dbraw/zinc/57/81/46/353578146.db2.gz CCEIOTSUSGUFRH-ZDUSSCGKSA-N 1 0 244.338 1.755 40 0 BDABRO Fc1ccccc1-c1noc([C@H]2CC[NH2+]C2)n1 ZINC000062119873 181010799 /nfs/dbraw/zinc/01/07/99/181010799.db2.gz XGUANSHUKMNVPV-QMMMGPOBSA-N 1 0 233.246 1.953 40 0 BDABRO [NH3+][C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000022942114 357341714 /nfs/dbraw/zinc/34/17/14/357341714.db2.gz WKYMUDUHJHLUHV-SNVBAGLBSA-N 1 0 210.708 1.873 40 0 BDABRO [NH3+]C[C@@H]1CCCN(c2ccc(F)cc2)C1=O ZINC000084013928 259498899 /nfs/dbraw/zinc/49/88/99/259498899.db2.gz LBZCURRTDYGJML-VIFPVBQESA-N 1 0 222.263 1.527 40 0 BDABRO CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)cc1 ZINC000002040370 360477660 /nfs/dbraw/zinc/47/76/60/360477660.db2.gz JOGFUYPGDLRKHD-LLVKDONJSA-N 1 0 209.289 1.814 40 0 BDABRO CC(=O)N(C(C)C)[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC000079416548 200654442 /nfs/dbraw/zinc/65/44/42/200654442.db2.gz UECAOWQKLNMXRT-CHWSQXEVSA-N 1 0 242.363 1.136 40 0 BDABRO CCOC(=O)[C@@H](N)[C@@](C)(CC)[NH+](CC)CC ZINC000072210568 259523579 /nfs/dbraw/zinc/52/35/79/259523579.db2.gz XYINXNDVJREPAP-ZYHUDNBSSA-N 1 0 230.352 1.387 40 0 BDABRO [NH3+]C1CCN(Cc2cn3ccccc3n2)CC1 ZINC000019274739 181345271 /nfs/dbraw/zinc/34/52/71/181345271.db2.gz FBWOJJFODRSAPM-UHFFFAOYSA-N 1 0 230.315 1.257 40 0 BDABRO [NH3+]C1CCN(C(=O)NC2CCCC2)CC1 ZINC000067801005 181343985 /nfs/dbraw/zinc/34/39/85/181343985.db2.gz FYTCABZYZWYPRA-UHFFFAOYSA-N 1 0 211.309 1.062 40 0 BDABRO N[C@@H]1N=C(C[NH3+])Nc2sc3c(c21)CCCC3 ZINC000020018501 181364480 /nfs/dbraw/zinc/36/44/80/181364480.db2.gz IZBCIPAUZYHODG-SNVBAGLBSA-N 1 0 236.344 1.367 40 0 BDABRO [NH3+]CCCNCc1c(F)cccc1Cl ZINC000037713369 181383538 /nfs/dbraw/zinc/38/35/38/181383538.db2.gz MCBIXZYGSOOZEH-UHFFFAOYSA-N 1 0 216.687 1.918 40 0 BDABRO [NH3+]CCN(CC(=O)c1cccs1)C1CC1 ZINC000079436050 181390254 /nfs/dbraw/zinc/39/02/54/181390254.db2.gz YBEOTNTVFIBWOP-UHFFFAOYSA-N 1 0 224.329 1.354 40 0 BDABRO [NH3+]C[C@@H](O)COCc1ccc(C(F)(F)F)cc1 ZINC000095096245 181421627 /nfs/dbraw/zinc/42/16/27/181421627.db2.gz LCWCUDABKSINEK-SNVBAGLBSA-N 1 0 249.232 1.542 40 0 BDABRO CCNC(=O)c1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000205679557 368356650 /nfs/dbraw/zinc/35/66/50/368356650.db2.gz WQXGQMANOFWZRY-JTQLQIEISA-N 1 0 248.330 1.036 40 0 BDABRO C[N@@H+]1CC[C@H](c2n[nH]cc2-c2ccnc(N)c2)C1 ZINC000205677841 368357183 /nfs/dbraw/zinc/35/71/83/368357183.db2.gz KVXWJNJPCRJQMX-JTQLQIEISA-N 1 0 243.314 1.473 40 0 BDABRO CC(C)(C)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282576 166548053 /nfs/dbraw/zinc/54/80/53/166548053.db2.gz JMNXDLONCZMYQI-AOOOYVTPSA-N 1 0 210.321 1.100 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(N(C)C)cc1 ZINC000259758181 370939078 /nfs/dbraw/zinc/93/90/78/370939078.db2.gz LBLTZAGALIHVHZ-CHWSQXEVSA-N 1 0 248.326 1.229 40 0 BDABRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C[NH3+] ZINC000091675837 369016374 /nfs/dbraw/zinc/01/63/74/369016374.db2.gz AUVFTKSYBSBNAS-IVZWLZJFSA-N 1 0 226.320 1.733 40 0 BDABRO CC(C)(C)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932820 371555434 /nfs/dbraw/zinc/55/54/34/371555434.db2.gz FGEUUJJXRYGHFB-NSHDSACASA-N 1 0 224.348 1.729 40 0 BDABRO Clc1ccc(NC[C@@H]2CCC[NH2+]C2)nn1 ZINC000040434761 373262718 /nfs/dbraw/zinc/26/27/18/373262718.db2.gz OATJVNRNXINZTL-MRVPVSSYSA-N 1 0 226.711 1.542 40 0 BDABRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000019267110 182329518 /nfs/dbraw/zinc/32/95/18/182329518.db2.gz IHTFFUDIRRGOPF-NSHDSACASA-N 1 0 222.263 1.308 40 0 BDABRO O=c1c2ccccc2cnn1CC1CC[NH2+]CC1 ZINC000041630894 182989053 /nfs/dbraw/zinc/98/90/53/182989053.db2.gz SYZDLUMXNVLIAR-UHFFFAOYSA-N 1 0 243.310 1.396 40 0 BDABRO OC12CC3C[C@H](C1)C1([NH2+]CCS1)[C@@H](C3)C2 ZINC000000225126 183025315 /nfs/dbraw/zinc/02/53/15/183025315.db2.gz CVRGPYJEPQFMMH-KTMJHZKESA-N 1 0 225.357 1.590 40 0 BDABRO OCC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000072381324 183074336 /nfs/dbraw/zinc/07/43/36/183074336.db2.gz BTTSYNKLEYNRJC-NSHDSACASA-N 1 0 206.289 1.253 40 0 BDABRO OCCOC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079390537 183087051 /nfs/dbraw/zinc/08/70/51/183087051.db2.gz XQOARWVJYUQOOB-CQSZACIVSA-N 1 0 235.327 1.517 40 0 BDABRO OCC[C@H]1C[NH2+]Cc2ccc(Cl)cc21 ZINC000095884227 183099335 /nfs/dbraw/zinc/09/93/35/183099335.db2.gz QOXXDULXUFIWDV-VIFPVBQESA-N 1 0 211.692 1.909 40 0 BDABRO O[C@H](C[NH+]1CCCCC1)c1ccncc1 ZINC000005940958 183220012 /nfs/dbraw/zinc/22/00/12/183220012.db2.gz WHHNFJHZZRKLIW-GFCCVEGCSA-N 1 0 206.289 1.601 40 0 BDABRO O[C@@H]1C[C@@H]2c3ccccc3[C@H]1c1cccc[n+]12 ZINC000005120986 183211901 /nfs/dbraw/zinc/21/19/01/183211901.db2.gz CEHXFVIZASBKFQ-KFWWJZLASA-N 1 0 224.283 1.773 40 0 BDABRO O[C@H]1CC[N@H+](CC2CC2)C[C@@]12CCCO2 ZINC000257199893 183237629 /nfs/dbraw/zinc/23/76/29/183237629.db2.gz ABECDFZSXOSTFK-RYUDHWBXSA-N 1 0 211.305 1.012 40 0 BDABRO c1c(-c2ccncc2)n[nH]c1C1CC[NH2+]CC1 ZINC000019405490 183329813 /nfs/dbraw/zinc/32/98/13/183329813.db2.gz VXNHTGWDWVCFSI-UHFFFAOYSA-N 1 0 228.299 1.939 40 0 in-vitro BDABRO c1cc([C@@H]2CCC[NH2+]2)nc(N2CCCOCC2)c1 ZINC000072386868 183360065 /nfs/dbraw/zinc/36/00/65/183360065.db2.gz AWDSQQQTBXJKRJ-LBPRGKRZSA-N 1 0 247.342 1.733 40 0 BDABRO c1ccc(CCOC[C@H]2CCC[NH2+]2)cc1 ZINC000043496617 183394769 /nfs/dbraw/zinc/39/47/69/183394769.db2.gz VPSQQUJHJAGFIF-CYBMUJFWSA-N 1 0 205.301 1.998 40 0 BDABRO c1ccc(OCCCN2CCC[NH2+]CC2)cc1 ZINC000036946397 183419149 /nfs/dbraw/zinc/41/91/49/183419149.db2.gz BITFXMSKDCAHKL-UHFFFAOYSA-N 1 0 234.343 1.751 40 0 BDABRO c1coc(-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000083332675 183504780 /nfs/dbraw/zinc/50/47/80/183504780.db2.gz DKXZMTLHOPREJP-UHFFFAOYSA-N 1 0 233.271 1.872 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH3+])[C@@H](F)C1 ZINC000169804888 166652954 /nfs/dbraw/zinc/65/29/54/166652954.db2.gz BLNPSYMDOPAVFG-CABZTGNLSA-N 1 0 246.326 1.930 40 0 BDABRO C[C@@H]([NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000048045963 383840030 /nfs/dbraw/zinc/84/00/30/383840030.db2.gz WTRLYNKEEJOIGJ-RKDXNWHRSA-N 1 0 214.309 1.733 40 0 BDABRO N[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000035677129 383865705 /nfs/dbraw/zinc/86/57/05/383865705.db2.gz SWWWAQPDPMNNLH-QMMMGPOBSA-N 1 0 215.094 1.408 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000002386741 383961407 /nfs/dbraw/zinc/96/14/07/383961407.db2.gz YZBHPTZUARKXKZ-NEPJUHHUSA-N 1 0 235.283 1.171 40 0 BDABRO CCCNC(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000078429227 384069272 /nfs/dbraw/zinc/06/92/72/384069272.db2.gz CPDMOTOLGCJSQC-LBPRGKRZSA-N 1 0 241.379 1.818 40 0 BDABRO OCC[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000079393475 384133569 /nfs/dbraw/zinc/13/35/69/384133569.db2.gz PKTIFHATFXDHRS-OAHLLOKOSA-N 1 0 248.370 1.623 40 0 BDABRO CC1(C)CC2(C[C@@](C)(C[NH3+])C1)OCCO2 ZINC000005496774 384119419 /nfs/dbraw/zinc/11/94/19/384119419.db2.gz JTYLJEBZYKPFNI-NSHDSACASA-N 1 0 213.321 1.905 40 0 BDABRO CC[C@@H]([NH3+])[C@H](C)NC(=O)OC(C)(C)C ZINC000072208905 384125643 /nfs/dbraw/zinc/12/56/43/384125643.db2.gz STQXVGTXOOQFKZ-JGVFFNPUSA-N 1 0 202.298 1.637 40 0 BDABRO OCC[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000079393472 384132452 /nfs/dbraw/zinc/13/24/52/384132452.db2.gz ZFHGOCAUXHDIIY-AWEZNQCLSA-N 1 0 234.343 1.233 40 0 BDABRO C[C@H]([NH3+])C(=O)N(C)Cc1cnc(Cl)s1 ZINC000079422110 384146449 /nfs/dbraw/zinc/14/64/49/384146449.db2.gz NBZAXXFTPJSYNZ-YFKPBYRVSA-N 1 0 233.724 1.102 40 0 BDABRO C[NH2+][C@H]1CCCC[C@@H]1N(C(C)=O)C1CC1 ZINC000079438241 384146705 /nfs/dbraw/zinc/14/67/05/384146705.db2.gz MRMFGOPARWXEPW-RYUDHWBXSA-N 1 0 210.321 1.528 40 0 BDABRO CCN(Cc1ccncc1)C[C@H]1CCC[NH2+]1 ZINC000042516886 384152648 /nfs/dbraw/zinc/15/26/48/384152648.db2.gz HWSDVZGNPMYQIJ-CYBMUJFWSA-N 1 0 219.332 1.656 40 0 BDABRO CC(C)[N@H+](C)C[C@@H]1CCCN(CCO)C1 ZINC000079418506 384144325 /nfs/dbraw/zinc/14/43/25/384144325.db2.gz MQMHXTWQPOGGQF-LBPRGKRZSA-N 1 0 214.353 1.031 40 0 BDABRO CCC[C@@H]1NC(=[NH2+])NC(C)=C1C(=O)OCC ZINC000408729207 384201092 /nfs/dbraw/zinc/20/10/92/384201092.db2.gz BIIBDDVJNAFMHB-QMMMGPOBSA-N 1 0 225.292 1.120 40 0 BDABRO Cc1ccc(CC2CC[NH+](CCO)CC2)nc1 ZINC000072356901 384209529 /nfs/dbraw/zinc/20/95/29/384209529.db2.gz BSLMUZCZAPUXDO-UHFFFAOYSA-N 1 0 234.343 1.637 40 0 BDABRO Cc1cc(C)nc(C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000072381303 384217966 /nfs/dbraw/zinc/21/79/66/384217966.db2.gz CBMGIPQTPRHSQA-GFCCVEGCSA-N 1 0 219.332 1.978 40 0 BDABRO c1cn(-c2ccc(CC[C@H]3CCC[NH2+]3)nn2)cn1 ZINC000072386553 384219135 /nfs/dbraw/zinc/21/91/35/384219135.db2.gz ISFPDXKHOCQVAD-LLVKDONJSA-N 1 0 243.314 1.347 40 0 BDABRO c1nc(C[C@H]2CCC[NH2+]C2)cc(N2CCCC2)n1 ZINC000072386391 384219194 /nfs/dbraw/zinc/21/91/94/384219194.db2.gz UUXHNMKNVPDRBS-GFCCVEGCSA-N 1 0 246.358 1.619 40 0 BDABRO C[NH+]1CCC(CC(=O)NC(C)(C)C)CC1 ZINC000074920969 384310292 /nfs/dbraw/zinc/31/02/92/384310292.db2.gz FMORRSJATPYFTA-UHFFFAOYSA-N 1 0 212.337 1.633 40 0 BDABRO C[NH+]1CCC(CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000074920900 384311118 /nfs/dbraw/zinc/31/11/18/384311118.db2.gz UVZFYZPZMHATRO-LBPRGKRZSA-N 1 0 240.347 1.014 40 0 BDABRO O=S(=O)(C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000011897068 384302437 /nfs/dbraw/zinc/30/24/37/384302437.db2.gz HKISNMGYUGHWOS-JTQLQIEISA-N 1 0 243.303 1.351 40 0 BDABRO O=C(OCc1ccccc1)N1C[C@H]2CC[NH2+]C[C@H]21 ZINC000095626828 384383531 /nfs/dbraw/zinc/38/35/31/384383531.db2.gz MHHNVRRIANKNON-CHWSQXEVSA-N 1 0 246.310 1.617 40 0 BDABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](C)C[C@@H]32)C(=O)N1CC ZINC000096261618 384444896 /nfs/dbraw/zinc/44/48/96/384444896.db2.gz MINNCOIVFGSZDV-UHIISALHSA-N 1 0 249.358 1.367 40 0 BDABRO O=C1C[C@]2(CC[NH2+]C2)CN1c1ccsc1 ZINC000096239435 384445228 /nfs/dbraw/zinc/44/52/28/384445228.db2.gz PAEHYVNKGLXTNJ-NSHDSACASA-N 1 0 222.313 1.465 40 0 BDABRO O=C1C[C@@]2(CC[NH2+]C2)CN1c1ccsc1 ZINC000096239436 384447354 /nfs/dbraw/zinc/44/73/54/384447354.db2.gz PAEHYVNKGLXTNJ-LLVKDONJSA-N 1 0 222.313 1.465 40 0 BDABRO COC(=O)c1cccc2c1OCC[C@@H]2[NH3+] ZINC000016082977 384450881 /nfs/dbraw/zinc/45/08/81/384450881.db2.gz HABSOTRIGFLRPC-VIFPVBQESA-N 1 0 207.229 1.256 40 0 BDABRO O=C(CC1CC1)N1CCC2(CCC[NH2+]2)CC1 ZINC000096049368 384429306 /nfs/dbraw/zinc/42/93/06/384429306.db2.gz LXJNAOFGSZGGQX-UHFFFAOYSA-N 1 0 222.332 1.531 40 0 BDABRO C[N@@H+]1CCCCC12CCN(c1ncccn1)CC2 ZINC000096217546 384442079 /nfs/dbraw/zinc/44/20/79/384442079.db2.gz BYJLKOQTGKBQJQ-UHFFFAOYSA-N 1 0 246.358 1.931 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000079033797 384479475 /nfs/dbraw/zinc/47/94/75/384479475.db2.gz WHVRANRQYMSGMH-GHMZBOCLSA-N 1 0 240.347 1.995 40 0 BDABRO CC(C)[N@@H+]1CCCC[C@H]1c1cc(CO)n[nH]1 ZINC000019695398 384535854 /nfs/dbraw/zinc/53/58/54/384535854.db2.gz KYQGWBLFAODZNN-LBPRGKRZSA-N 1 0 223.320 1.837 40 0 BDABRO C[C@@H]([NH3+])c1nc(-c2ccccc2F)n[nH]1 ZINC000082752507 384562252 /nfs/dbraw/zinc/56/22/52/384562252.db2.gz RWLOTAUEIAWDOO-ZCFIWIBFSA-N 1 0 206.224 1.631 40 0 BDABRO C[C@H]([NH3+])c1nc(-c2ccccc2F)n[nH]1 ZINC000082752506 384563744 /nfs/dbraw/zinc/56/37/44/384563744.db2.gz RWLOTAUEIAWDOO-LURJTMIESA-N 1 0 206.224 1.631 40 0 BDABRO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000081421966 384615098 /nfs/dbraw/zinc/61/50/98/384615098.db2.gz DYZKFWQSHBSJSJ-CYZMBNFOSA-N 1 0 236.359 1.633 40 0 BDABRO [NH3+]C[C@H](O)c1ccccc1OC(F)(F)F ZINC000020216698 384600865 /nfs/dbraw/zinc/60/08/65/384600865.db2.gz FRLYCJVPGMLVEF-ZETCQYMHSA-N 1 0 221.178 1.577 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2cccc(F)c2)CC1 ZINC000100809926 384654737 /nfs/dbraw/zinc/65/47/37/384654737.db2.gz XJHJEANHWAZQFA-TXEJJXNPSA-N 1 0 236.290 1.825 40 0 BDABRO CC[C@@H]1CCCC[N@@H+]1Cc1c(C[NH3+])cnn1C ZINC000408716245 384700647 /nfs/dbraw/zinc/70/06/47/384700647.db2.gz KHYKSSPGOLJLJE-GFCCVEGCSA-N 1 0 236.363 1.643 40 0 BDABRO [NH3+]Cc1cncn1Cc1ccc2c(c1)OCO2 ZINC000076678133 384700692 /nfs/dbraw/zinc/70/06/92/384700692.db2.gz BZSUDTVJIURRKQ-UHFFFAOYSA-N 1 0 231.255 1.119 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2[NH3+] ZINC000082327549 384743084 /nfs/dbraw/zinc/74/30/84/384743084.db2.gz IKTNEZKFSOMQJI-OUAUKWLOSA-N 1 0 240.347 1.981 40 0 BDABRO C[NH+](C)CCCNC(=O)c1ccccc1 ZINC000003214224 384798227 /nfs/dbraw/zinc/79/82/27/384798227.db2.gz UKXSMVIDPJCDAQ-UHFFFAOYSA-N 1 0 206.289 1.368 40 0 BDABRO CCOC[C@H](O)C[NH2+]Cc1ccccc1 ZINC000026897926 384888065 /nfs/dbraw/zinc/88/80/65/384888065.db2.gz OARCYTVXLKTLPD-GFCCVEGCSA-N 1 0 209.289 1.174 40 0 BDABRO COc1c(C)c(C)ccc1C[NH2+]CCO ZINC000095094871 384956978 /nfs/dbraw/zinc/95/69/78/384956978.db2.gz KGNCMVSIAJUQTD-UHFFFAOYSA-N 1 0 209.289 1.394 40 0 BDABRO [NH3+]Cc1cncn1Cc1ccccc1F ZINC000085196391 384924262 /nfs/dbraw/zinc/92/42/62/384924262.db2.gz HGNYDWQAKQKQAA-UHFFFAOYSA-N 1 0 205.236 1.529 40 0 BDABRO CC(C)(C)OC(=O)N(CC[NH3+])C1CCOCC1 ZINC000058040388 384979591 /nfs/dbraw/zinc/97/95/91/384979591.db2.gz YNFVHETUOMTUAT-UHFFFAOYSA-N 1 0 244.335 1.361 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@H]1C(N)=[NH2+] ZINC000058681281 385016872 /nfs/dbraw/zinc/01/68/72/385016872.db2.gz ZCUQKBLYCPKOJS-ZETCQYMHSA-N 1 0 213.281 1.322 40 0 BDABRO Cc1cnc(NC[C@@H]2CCCC[NH2+]2)nc1Cl ZINC000072203716 385057405 /nfs/dbraw/zinc/05/74/05/385057405.db2.gz QHADXJADSFVMNV-VIFPVBQESA-N 1 0 240.738 1.992 40 0 BDABRO CNc1ncccc1[C@H]1CCCN1C=O ZINC000072212524 385077061 /nfs/dbraw/zinc/07/70/61/385077061.db2.gz FHSHWGXNNHVZDQ-SNVBAGLBSA-N 1 0 205.261 1.417 40 0 BDABRO C[NH+](C)C[C@H](O)COc1ccccc1Cl ZINC000005509055 385039167 /nfs/dbraw/zinc/03/91/67/385039167.db2.gz DCQJMOLLXNYKCU-VIFPVBQESA-N 1 0 229.707 1.641 40 0 BDABRO C[NH2+]Cc1cnc(Br)c(C)c1 ZINC000072221927 385109447 /nfs/dbraw/zinc/10/94/47/385109447.db2.gz ADTYVXXCFPOBAQ-UHFFFAOYSA-N 1 0 215.094 1.872 40 0 BDABRO Cc1cc(N2CCOCC2)ncc1[C@H](C)O ZINC000072223550 385112508 /nfs/dbraw/zinc/11/25/08/385112508.db2.gz CKUJEAFGHKVNFU-JTQLQIEISA-N 1 0 222.288 1.280 40 0 BDABRO CC[NH+]1CCN(c2ccc([C@H](C)O)c(C)n2)CC1 ZINC000072224673 385119383 /nfs/dbraw/zinc/11/93/83/385119383.db2.gz NJKFEJLINZNUAX-LBPRGKRZSA-N 1 0 249.358 1.585 40 0 BDABRO Nc1ccc([C@H](O)c2ccccc2)cn1 ZINC000072225127 385122510 /nfs/dbraw/zinc/12/25/10/385122510.db2.gz SMQCUKIZNUUDJL-GFCCVEGCSA-N 1 0 200.241 1.746 40 0 BDABRO CN1CCN(c2ccc(C3=[NH+]CCC3)cn2)CC1 ZINC000072216503 385097551 /nfs/dbraw/zinc/09/75/51/385097551.db2.gz BIDZXZVUVPLRLP-UHFFFAOYSA-N 1 0 244.342 1.416 40 0 BDABRO C[NH+](C)CCNC(=O)CCc1ccc(F)cc1 ZINC000062065718 385154449 /nfs/dbraw/zinc/15/44/49/385154449.db2.gz LNRKQEUFFXJSBU-UHFFFAOYSA-N 1 0 238.306 1.436 40 0 BDABRO COCc1cc(N2CC[C@@H]([NH3+])C2)nc(C2CC2)n1 ZINC000096516992 385256406 /nfs/dbraw/zinc/25/64/06/385256406.db2.gz WGPSHQYIXBRIDU-SNVBAGLBSA-N 1 0 248.330 1.038 40 0 BDABRO Cc1noc(-c2cc(C3CC[NH2+]CC3)[nH]n2)n1 ZINC000096516104 385257751 /nfs/dbraw/zinc/25/77/51/385257751.db2.gz CYRDKDXCOZZISP-UHFFFAOYSA-N 1 0 233.275 1.235 40 0 BDABRO CCCc1nc(CC2CC[NH2+]CC2)no1 ZINC000096511436 385251625 /nfs/dbraw/zinc/25/16/25/385251625.db2.gz PLHWTUDQYYYDNG-UHFFFAOYSA-N 1 0 209.293 1.564 40 0 BDABRO [NH3+]C1CCN(c2cc(C3CC3)ncn2)CC1 ZINC000096516852 385252923 /nfs/dbraw/zinc/25/29/23/385252923.db2.gz RUYWWXCHOQZUDF-UHFFFAOYSA-N 1 0 218.304 1.282 40 0 BDABRO Cc1cc(N2CCC([NH3+])CC2)nc(C2CC2)n1 ZINC000096516957 385255237 /nfs/dbraw/zinc/25/52/37/385255237.db2.gz MIPZPEXCUNGTEA-UHFFFAOYSA-N 1 0 232.331 1.590 40 0 BDABRO O=c1cc(CN2CC[NH2+]CC2)c2ccccc2o1 ZINC000096517061 385255408 /nfs/dbraw/zinc/25/54/08/385255408.db2.gz WWPCQROJWITFSV-UHFFFAOYSA-N 1 0 244.294 1.198 40 0 BDABRO [NH3+]CCc1noc(-c2ccccc2Cl)n1 ZINC000008729383 385265224 /nfs/dbraw/zinc/26/52/24/385265224.db2.gz QOYKDRXWELIAFP-UHFFFAOYSA-N 1 0 223.663 1.891 40 0 BDABRO [NH3+]C[C@@H]1CCCCN1Cc1[nH]nc2c1CCCC2 ZINC000096523573 385269612 /nfs/dbraw/zinc/26/96/12/385269612.db2.gz UYYMKOQPOXCKJZ-NSHDSACASA-N 1 0 248.374 1.602 40 0 BDABRO C[NH2+]CCN1CCN(c2ccc(C)cc2)CC1 ZINC000096523960 385271510 /nfs/dbraw/zinc/27/15/10/385271510.db2.gz KISMQXBRYDNWFA-UHFFFAOYSA-N 1 0 233.359 1.336 40 0 BDABRO CCC[C@H]([NH3+])CN(C)Cc1cnn(CC)c1C ZINC000096523981 385272053 /nfs/dbraw/zinc/27/20/53/385272053.db2.gz URNFMRIQVWHJJU-ZDUSSCGKSA-N 1 0 238.379 1.771 40 0 BDABRO CC(C)[C@H](C[C@H]1CCCC[NH2+]1)OC1COC1 ZINC000096530075 385284965 /nfs/dbraw/zinc/28/49/65/385284965.db2.gz ABEUXFLSJOQJDM-YPMHNXCESA-N 1 0 227.348 1.959 40 0 BDABRO CC(=O)c1ccc2c(c1)[C@H]([NH3+])[C@H](O)C(C)(C)O2 ZINC000034615689 385287770 /nfs/dbraw/zinc/28/77/70/385287770.db2.gz AECGYOKFJFSDKI-RYUDHWBXSA-N 1 0 235.283 1.421 40 0 BDABRO [NH3+]CCc1nc(-c2ccccc2F)no1 ZINC000020268673 385374056 /nfs/dbraw/zinc/37/40/56/385374056.db2.gz MOOAQRJFSVXZSB-UHFFFAOYSA-N 1 0 207.208 1.377 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2cnn(CC3CC3)c2)C1 ZINC000328579568 385490888 /nfs/dbraw/zinc/49/08/88/385490888.db2.gz PBGUIYYRONCHSL-CYBMUJFWSA-N 1 0 234.347 1.216 40 0 BDABRO Cc1noc([C@H]2C[NH2+]C[C@H]2c2ccncc2)n1 ZINC000328579662 385492339 /nfs/dbraw/zinc/49/23/39/385492339.db2.gz VHIZWNVFBADBKK-QWRGUYRKSA-N 1 0 230.271 1.244 40 0 BDABRO C[C@@H]1CCCCN1[C@@H](C[NH3+])C(F)(F)F ZINC000037169437 385597633 /nfs/dbraw/zinc/59/76/33/385597633.db2.gz OWRCACAIDABAEN-SFYZADRCSA-N 1 0 210.243 1.750 40 0 BDABRO CCO[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000062711883 385691139 /nfs/dbraw/zinc/69/11/39/385691139.db2.gz OUYFDOBLIWNFRX-LBPRGKRZSA-N 1 0 225.288 1.740 40 0 BDABRO Cc1ccc([C@@H]2C[C@@]2(C[NH3+])CO)cc1C ZINC000062713706 385698684 /nfs/dbraw/zinc/69/86/84/385698684.db2.gz CYPVXWQTWKVUFC-QWHCGFSZSA-N 1 0 205.301 1.728 40 0 BDABRO Cc1nc([C@]2(C)CCC[N@@H+](C)C2)cc(=O)[nH]1 ZINC000257203333 385753866 /nfs/dbraw/zinc/75/38/66/385753866.db2.gz APOSKJNSEVWAAJ-GFCCVEGCSA-N 1 0 221.304 1.474 40 0 BDABRO CCOCC[N@@H+]1CC[C@@H](c2n[nH]cc2C)C1 ZINC000257237446 385755906 /nfs/dbraw/zinc/75/59/06/385755906.db2.gz HGMPXACIERJKDQ-LLVKDONJSA-N 1 0 223.320 1.544 40 0 BDABRO CCN(CC)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000036757305 385822976 /nfs/dbraw/zinc/82/29/76/385822976.db2.gz UDQJENQFICDNPM-LLVKDONJSA-N 1 0 212.337 1.635 40 0 BDABRO Cc1ccc([C@@H](C[NH3+])N2CCOCC2)cc1C ZINC000037179870 385824059 /nfs/dbraw/zinc/82/40/59/385824059.db2.gz HJLWWLBSQZYUJL-CQSZACIVSA-N 1 0 234.343 1.635 40 0 BDABRO O=C(CC1CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096058546 385905395 /nfs/dbraw/zinc/90/53/95/385905395.db2.gz DKZSNTZQHPPNNA-MNOVXSKESA-N 1 0 208.305 1.139 40 0 BDABRO CC(C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000096157154 385907220 /nfs/dbraw/zinc/90/72/20/385907220.db2.gz LPFZMPBDXMCMDV-UHFFFAOYSA-N 1 0 210.321 1.245 40 0 BDABRO C[C@]12C[C@@H](c3ccccc3)[NH2+][C@H]1CCC(=O)N2 ZINC000219773379 385944626 /nfs/dbraw/zinc/94/46/26/385944626.db2.gz LZBWSTNHBHIVEF-OBJOEFQTSA-N 1 0 230.311 1.758 40 0 BDABRO COc1ccc([C@H]2CN(C)C[C@@H]2[NH3+])c(OC)c1 ZINC000216411719 386095559 /nfs/dbraw/zinc/09/55/59/386095559.db2.gz TUJBJQKETRTNLU-NEPJUHHUSA-N 1 0 236.315 1.060 40 0 BDABRO [NH3+]CCSc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000224979192 386159131 /nfs/dbraw/zinc/15/91/31/386159131.db2.gz UFSVILNROTVHKL-UHFFFAOYSA-N 1 0 238.291 1.662 40 0 BDABRO COC(=O)[C@H]1C[C@H]([NH3+])c2cc(F)ccc2O1 ZINC000040546782 386220369 /nfs/dbraw/zinc/22/03/69/386220369.db2.gz GKJNKHRZXFQWAP-WCBMZHEXSA-N 1 0 225.219 1.150 40 0 BDABRO O=C1c2c(cccc2F)CN1CC1CC[NH2+]CC1 ZINC000098213881 386581294 /nfs/dbraw/zinc/58/12/94/386581294.db2.gz NVGZEANYYSIEGU-UHFFFAOYSA-N 1 0 248.301 1.781 40 0 BDABRO Cn1cccc1-c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000096531609 386606719 /nfs/dbraw/zinc/60/67/19/386606719.db2.gz HMVQSGOCMFCQCD-SECBINFHSA-N 1 0 232.287 1.542 40 0 BDABRO Cn1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000124703441 386680490 /nfs/dbraw/zinc/68/04/90/386680490.db2.gz DWWJRXIYRTUOAW-JQWIXIFHSA-N 1 0 222.336 1.027 40 0 BDABRO Cn1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000124703228 386681851 /nfs/dbraw/zinc/68/18/51/386681851.db2.gz DWWJRXIYRTUOAW-CMPLNLGQSA-N 1 0 222.336 1.027 40 0 BDABRO Cn1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000124702792 386681949 /nfs/dbraw/zinc/68/19/49/386681949.db2.gz DWWJRXIYRTUOAW-ZYHUDNBSSA-N 1 0 222.336 1.027 40 0 BDABRO C[NH2+][C@@H](COC)C(=O)c1ccc(C)cc1 ZINC000575415298 387023604 /nfs/dbraw/zinc/02/36/04/387023604.db2.gz JHGDCSPZKQLBOP-NSHDSACASA-N 1 0 207.273 1.412 40 0 in-vitro BDABRO c1ccn(C[C@@H]2CC[C@H]3[NH2+]CCO[C@@H]32)c1 ZINC000096250334 387025654 /nfs/dbraw/zinc/02/56/54/387025654.db2.gz DQMLLTCZMBQSFE-QJPTWQEYSA-N 1 0 206.289 1.255 40 0 BDABRO COC(=O)/C=C/[C@@H]([NH3+])Cc1ccccc1 ZINC000053147079 387513591 /nfs/dbraw/zinc/51/35/91/387513591.db2.gz GIBLLUQATZGTAM-WSKFYRRCSA-N 1 0 205.257 1.286 40 0 BDABRO C[NH2+][C@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000053203316 387539383 /nfs/dbraw/zinc/53/93/83/387539383.db2.gz XQAPNXODRNBAJZ-NSHDSACASA-N 1 0 239.750 1.919 40 0 BDABRO CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC000575447511 387672411 /nfs/dbraw/zinc/67/24/11/387672411.db2.gz BHOQHYOAFUMULA-KBPBESRZSA-N 1 0 216.328 1.823 40 0 BDABRO COC(=O)c1cccc(CN2CCC([NH3+])CC2)c1 ZINC000036754640 387847707 /nfs/dbraw/zinc/84/77/07/387847707.db2.gz HIIRZONXDHZZJJ-UHFFFAOYSA-N 1 0 248.326 1.396 40 0 BDABRO Cn1nccc1C[NH2+]Cc1ccc(F)cc1 ZINC000002536107 387849811 /nfs/dbraw/zinc/84/98/11/387849811.db2.gz MVNSPOFHAAFWFK-UHFFFAOYSA-N 1 0 219.263 1.849 40 0 BDABRO Cn1nccc1C[NH2+]Cc1cccc(F)c1 ZINC000020349264 387850049 /nfs/dbraw/zinc/85/00/49/387850049.db2.gz QJKALOVNFUNZJI-UHFFFAOYSA-N 1 0 219.263 1.849 40 0 BDABRO Cc1nn(C)cc1C[NH2+]CCCOC(C)C ZINC000125926461 387853715 /nfs/dbraw/zinc/85/37/15/387853715.db2.gz ZVAPRXPYJGITCU-UHFFFAOYSA-N 1 0 225.336 1.633 40 0 BDABRO FC(F)n1nccc1C[NH2+]C[C@H]1CCCO1 ZINC000256054246 387863460 /nfs/dbraw/zinc/86/34/60/387863460.db2.gz VOZHFPGMVZFDKA-SECBINFHSA-N 1 0 231.246 1.547 40 0 BDABRO Cc1c(F)cccc1CN1CC[C@@H]([NH3+])C1 ZINC000038538750 388371252 /nfs/dbraw/zinc/37/12/52/388371252.db2.gz LBFCVGIBSUPAFG-LLVKDONJSA-N 1 0 208.280 1.667 40 0 BDABRO C[C@@H]([NH3+])c1nnc2ccc(-c3ccccc3)nn21 ZINC000058021710 388371779 /nfs/dbraw/zinc/37/17/79/388371779.db2.gz YIKFMXWZRKRBSC-SECBINFHSA-N 1 0 239.282 1.811 40 0 BDABRO CCOCCO[C@@H]1C[NH2+][C@@H](CC(C)C)C1 ZINC000217862596 388382487 /nfs/dbraw/zinc/38/24/87/388382487.db2.gz RXMBQUIOYOLZGS-RYUDHWBXSA-N 1 0 215.337 1.816 40 0 BDABRO CC(C)(C)c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000019233355 388608533 /nfs/dbraw/zinc/60/85/33/388608533.db2.gz SKQGHAVHAHZUNK-MRVPVSSYSA-N 1 0 209.293 1.834 40 0 BDABRO COC(=O)C[C@@H](C[NH3+])c1ccccc1F ZINC000057496481 388626824 /nfs/dbraw/zinc/62/68/24/388626824.db2.gz BYBANSMEKDMHGN-QMMMGPOBSA-N 1 0 211.236 1.431 40 0 BDABRO O=C(c1cccnc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000257642757 388627643 /nfs/dbraw/zinc/62/76/43/388627643.db2.gz BHOQDHGCFLJHHV-UHFFFAOYSA-N 1 0 245.326 1.297 40 0 BDABRO CCOC[C@H]1C[NH2+]Cc2nn(CC3CC3)cc21 ZINC000306124128 388628950 /nfs/dbraw/zinc/62/89/50/388628950.db2.gz BGVQNUDJNDDLIO-LLVKDONJSA-N 1 0 235.331 1.516 40 0 BDABRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCCCCC1 ZINC000019502838 388741131 /nfs/dbraw/zinc/74/11/31/388741131.db2.gz YRLGNCQASLTTNG-MNOVXSKESA-N 1 0 212.337 1.762 40 0 BDABRO [NH3+]C[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000011888347 388711082 /nfs/dbraw/zinc/71/10/82/388711082.db2.gz YUZWLFIRLGSVNF-GFCCVEGCSA-N 1 0 222.307 1.996 40 0 BDABRO CC[C@H](C)[C@H]([NH3+])CN1CCSCC1 ZINC000020257453 388759249 /nfs/dbraw/zinc/75/92/49/388759249.db2.gz DXYMWDCYWUJHRU-VHSXEESVSA-N 1 0 202.367 1.409 40 0 BDABRO C[C@H]([NH3+])c1nc(CNc2ccccc2)n[nH]1 ZINC000095534648 388780058 /nfs/dbraw/zinc/78/00/58/388780058.db2.gz RAZSVJMFTQVRHB-QMMMGPOBSA-N 1 0 217.276 1.437 40 0 BDABRO CC(C)(C)C[NH2+]C[C@H]1Cn2ccnc2CO1 ZINC000096269266 388813485 /nfs/dbraw/zinc/81/34/85/388813485.db2.gz ZPSCXIGOTQSIKF-JTQLQIEISA-N 1 0 223.320 1.418 40 0 biogenic,in-vitro BDABRO CN(CCc1ccncc1)C[C@H]1CCCC[NH2+]1 ZINC000096319907 388816449 /nfs/dbraw/zinc/81/64/49/388816449.db2.gz PEROXZZSQGVHGQ-CQSZACIVSA-N 1 0 233.359 1.698 40 0 BDABRO CC(C)c1ccc(C[NH3+])c(N2CCC[C@H](O)C2)n1 ZINC000242498629 388837785 /nfs/dbraw/zinc/83/77/85/388837785.db2.gz HKPDJRFKDDUFMO-LBPRGKRZSA-N 1 0 249.358 1.625 40 0 BDABRO CC[C@@](C(N)=[NH2+])(c1ccccc1)N(C)C ZINC000001681337 171162237 /nfs/dbraw/zinc/16/22/37/171162237.db2.gz DWHSFAHUKWWLSI-LBPRGKRZSA-N 1 0 205.305 1.789 40 0 BDABRO c1ccc(N2CCOC3(CC[NH2+]CC3)C2)nc1 ZINC000306143219 132227169 /nfs/dbraw/zinc/22/71/69/132227169.db2.gz XWPQKIJIVNSVPF-UHFFFAOYSA-N 1 0 233.315 1.040 40 0 BDABRO C[NH+](C)C1CCN(c2ccnc(Cl)n2)CC1 ZINC000051849584 132229081 /nfs/dbraw/zinc/22/90/81/132229081.db2.gz LQVJWBISQWEGGK-UHFFFAOYSA-N 1 0 240.738 1.660 40 0 BDABRO NC(=[NH2+])c1ccccc1N1CCCCC1 ZINC000020076090 132284586 /nfs/dbraw/zinc/28/45/86/132284586.db2.gz NYWTWZXGVWEUSG-UHFFFAOYSA-N 1 0 203.289 1.961 40 0 BDABRO Fc1cnc(N2CC[NH+](C3CCC3)CC2)nc1 ZINC000244975273 132302847 /nfs/dbraw/zinc/30/28/47/132302847.db2.gz IJAALFCUCXVJFO-UHFFFAOYSA-N 1 0 236.294 1.290 40 0 BDABRO Cc1ccc(N2CCN(C(N)=[NH2+])CC2)cc1 ZINC000003631914 132315732 /nfs/dbraw/zinc/31/57/32/132315732.db2.gz WVRWBBSJSOEVDM-UHFFFAOYSA-N 1 0 218.304 1.010 40 0 BDABRO c1cnc2c(c1)cccc2N1CC[NH2+]CC1 ZINC000012357060 132321020 /nfs/dbraw/zinc/32/10/20/132321020.db2.gz DCUZDOXGNVJQQL-UHFFFAOYSA-N 1 0 213.284 1.644 40 0 BDABRO CCN(CC)c1cc(N2CCC[C@@H]([NH3+])C2)ncn1 ZINC000040434360 132347577 /nfs/dbraw/zinc/34/75/77/132347577.db2.gz HNTDVXCZODVPAX-LLVKDONJSA-N 1 0 249.362 1.250 40 0 BDABRO c1ccc2c(c1)nnn2C[C@H]1CCC[NH2+]1 ZINC000013566333 397845327 /nfs/dbraw/zinc/84/53/27/397845327.db2.gz FOWRKDSQAPWGQE-SECBINFHSA-N 1 0 202.261 1.183 40 0 BDABRO Brc1cnc(N2CC[NH2+]CC2)s1 ZINC000026898595 166104808 /nfs/dbraw/zinc/10/48/08/166104808.db2.gz JYESJZJBOOVSEA-UHFFFAOYSA-N 1 0 248.149 1.315 40 0 BDABRO CC(C)NC(=O)C[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000096221928 167064990 /nfs/dbraw/zinc/06/49/90/167064990.db2.gz KMAXXTRQMQGFJZ-NSHDSACASA-N 1 0 240.347 1.060 40 0 BDABRO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](CC(C)C)C[C@@H]32)C(=O)N1 ZINC000096261394 168138073 /nfs/dbraw/zinc/13/80/73/168138073.db2.gz BGWLEACLMTUZDC-MBNYWOFBSA-N 1 0 249.358 1.271 40 0 BDABRO CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000062608787 168221740 /nfs/dbraw/zinc/22/17/40/168221740.db2.gz GFBPXXMWACDMRZ-LBPRGKRZSA-N 1 0 218.300 1.570 40 0 BDABRO CC[NH2+]C[C@H](O)Cc1ccc(OCC)cc1 ZINC000001672741 170122711 /nfs/dbraw/zinc/12/27/11/170122711.db2.gz HKYZLIIHRQZPDD-GFCCVEGCSA-N 1 0 223.316 1.598 40 0 BDABRO CCOC(=O)[C@@H](C[NH2+]C)Cc1cccc(C)c1 ZINC000012649790 170251756 /nfs/dbraw/zinc/25/17/56/170251756.db2.gz AKJNNENPVDCYPU-CYBMUJFWSA-N 1 0 235.327 1.936 40 0 BDABRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C)C1 ZINC000019479150 171394177 /nfs/dbraw/zinc/39/41/77/171394177.db2.gz QYFKHMNKZMJIHM-VWYCJHECSA-N 1 0 212.337 1.618 40 0 BDABRO CCc1ccc(C[NH2+]CCN(C)C)cc1 ZINC000022942426 171805991 /nfs/dbraw/zinc/80/59/91/171805991.db2.gz QQZQLOWYMZFUEE-UHFFFAOYSA-N 1 0 206.333 1.900 40 0 BDABRO CCc1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC)cc1 ZINC000067173401 171846042 /nfs/dbraw/zinc/84/60/42/171846042.db2.gz JCSGJWKPOAXMPM-OLZOCXBDSA-N 1 0 233.311 1.725 40 0 BDABRO CCc1nnc(NC(=O)[C@@H]([NH3+])C(C)C)s1 ZINC000218821300 172057634 /nfs/dbraw/zinc/05/76/34/172057634.db2.gz OYYXBFJDBGRJFO-ZETCQYMHSA-N 1 0 228.321 1.022 40 0 BDABRO CCn1c2ccccc2nc1N1CC[NH2+]CC1 ZINC000000007945 172146683 /nfs/dbraw/zinc/14/66/83/172146683.db2.gz LQERTCSWJVMEIY-UHFFFAOYSA-N 1 0 230.315 1.466 40 0 BDABRO CCn1c(SC)nnc1C1CC[NH+](C)CC1 ZINC000072351167 172147376 /nfs/dbraw/zinc/14/73/76/172147376.db2.gz IAKHDLCRPGREKF-UHFFFAOYSA-N 1 0 240.376 1.829 40 0 BDABRO CCn1cc(-c2cc(C[NH2+]C)no2)c(C)n1 ZINC000026545463 172149507 /nfs/dbraw/zinc/14/95/07/172149507.db2.gz SHRYJSFRFAGJRO-UHFFFAOYSA-N 1 0 220.276 1.586 40 0 BDABRO CCn1cccc1-c1noc([C@@H]2CCC[NH2+]2)n1 ZINC000328579714 172203561 /nfs/dbraw/zinc/20/35/61/172203561.db2.gz XMFLAIDWOPGLNU-VIFPVBQESA-N 1 0 232.287 1.983 40 0 BDABRO CCn1nc(C)c(CN2CC[C@@H]([NH3+])C2)c1C ZINC000307969361 172246044 /nfs/dbraw/zinc/24/60/44/172246044.db2.gz ZRVRWUJAECTTAW-LLVKDONJSA-N 1 0 222.336 1.053 40 0 BDABRO CCn1ncc(C[NH2+]CCCOC)c1F ZINC000256053070 172255465 /nfs/dbraw/zinc/25/54/65/172255465.db2.gz PVSSAZKWESZNOU-UHFFFAOYSA-N 1 0 215.272 1.168 40 0 BDABRO CN(C(=O)[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000050008962 172327654 /nfs/dbraw/zinc/32/76/54/172327654.db2.gz LVPFNWPUCFHMNP-NSHDSACASA-N 1 0 222.263 1.541 40 0 BDABRO CN(C)C(=O)C1(CCCc2ccccn2)C[NH2+]C1 ZINC000072344196 172354656 /nfs/dbraw/zinc/35/46/56/172354656.db2.gz OCNJZJNNLCTXEZ-UHFFFAOYSA-N 1 0 247.342 1.082 40 0 BDABRO CN(C)C(=O)C1(CCCc2ccncc2)C[NH2+]C1 ZINC000072344226 172355032 /nfs/dbraw/zinc/35/50/32/172355032.db2.gz WMRHJLKYOCFYDY-UHFFFAOYSA-N 1 0 247.342 1.082 40 0 BDABRO CN(Cc1cccnc1)C[C@H]1CCC[NH2+]1 ZINC000036771405 172885565 /nfs/dbraw/zinc/88/55/65/172885565.db2.gz QTYFRRHKULDHCA-GFCCVEGCSA-N 1 0 205.305 1.265 40 0 BDABRO C[N@@H+]1CCC[C@@H](c2cnc(-n3ccnc3)cn2)C1 ZINC000072386558 173022483 /nfs/dbraw/zinc/02/24/83/173022483.db2.gz ANZSZKZBXQVQEG-LLVKDONJSA-N 1 0 243.314 1.472 40 0 BDABRO Cn1nccc1-c1cnc([C@H]2CCC[N@@H+]2C)cn1 ZINC000257240667 173035316 /nfs/dbraw/zinc/03/53/16/173035316.db2.gz HUOYWDDKHXRFLB-GFCCVEGCSA-N 1 0 243.314 1.644 40 0 BDABRO C[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000067285206 173037928 /nfs/dbraw/zinc/03/79/28/173037928.db2.gz RBKLATRCGUJVST-NSHDSACASA-N 1 0 224.348 1.777 40 0 BDABRO C[N@@H+]1CCC[C@H](CO)[C@@H]1c1cccnc1 ZINC000096515816 173042154 /nfs/dbraw/zinc/04/21/54/173042154.db2.gz PEGYGTJMLPKERQ-NEPJUHHUSA-N 1 0 206.289 1.457 40 0 BDABRO C[N@@H+]1CC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000072187536 173155759 /nfs/dbraw/zinc/15/57/59/173155759.db2.gz RBQVWLHHSWOAKU-JTQLQIEISA-N 1 0 201.273 1.934 40 0 BDABRO CN1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]12 ZINC000096251809 173166947 /nfs/dbraw/zinc/16/69/47/173166947.db2.gz HMPCVUFHIWQIKI-KBPBESRZSA-N 1 0 216.328 1.622 40 0 BDABRO CNc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329017373 173207932 /nfs/dbraw/zinc/20/79/32/173207932.db2.gz NLDXGUAQZXIRCK-UHFFFAOYSA-N 1 0 206.293 1.060 40 0 BDABRO CNc1nc(NC(C)C)cc(C2CC2)[nH+]1 ZINC000329071442 173209047 /nfs/dbraw/zinc/20/90/47/173209047.db2.gz ZPVJTZWCTOULMK-UHFFFAOYSA-N 1 0 206.293 1.060 40 0 BDABRO CNC(=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC000172977957 173223921 /nfs/dbraw/zinc/22/39/21/173223921.db2.gz RSGVWDIUUHSJOA-UHFFFAOYSA-N 1 0 233.315 1.040 40 0 BDABRO C[NH2+]Cc1cc(-c2cccs2)nn1C ZINC000072226265 173385685 /nfs/dbraw/zinc/38/56/85/173385685.db2.gz FNSMVYXGHGGABA-UHFFFAOYSA-N 1 0 207.302 1.868 40 0 BDABRO COC(=O)[C@H](C[NH3+])Cc1ccccc1Cl ZINC000044250085 173796164 /nfs/dbraw/zinc/79/61/64/173796164.db2.gz PUGDXBSDCSVWJY-VIFPVBQESA-N 1 0 227.691 1.630 40 0 BDABRO COCCC[NH2+]C[C@H]1COc2ccccc2O1 ZINC000031622386 174247664 /nfs/dbraw/zinc/24/76/64/174247664.db2.gz GRPLGTPSEOTLHW-NSHDSACASA-N 1 0 237.299 1.453 40 0 BDABRO COCCN(C)c1cccc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072386847 174283498 /nfs/dbraw/zinc/28/34/98/174283498.db2.gz IYSOYMWKCZAVGX-ZDUSSCGKSA-N 1 0 249.358 1.931 40 0 BDABRO COCCN(Cc1cccs1)C[C@H](C)[NH3+] ZINC000096523890 174301343 /nfs/dbraw/zinc/30/13/43/174301343.db2.gz PPOYLRZJDSCXJQ-JTQLQIEISA-N 1 0 228.361 1.544 40 0 BDABRO COCC[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000041281583 174333257 /nfs/dbraw/zinc/33/32/57/174333257.db2.gz DXMPCRKLEMTALZ-UHFFFAOYSA-N 1 0 239.271 1.030 40 0 BDABRO COCC[NH2+]CCOc1cccc(F)c1 ZINC000041226885 174333343 /nfs/dbraw/zinc/33/33/43/174333343.db2.gz RSYSKPVIXCGTAD-UHFFFAOYSA-N 1 0 213.252 1.441 40 0 BDABRO COCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256052616 174334565 /nfs/dbraw/zinc/33/45/65/174334565.db2.gz OAXQRYHJWSNFAU-UHFFFAOYSA-N 1 0 237.225 1.175 40 0 BDABRO COCC[NH2+]Cc1ccnn1C(F)F ZINC000256051448 174335911 /nfs/dbraw/zinc/33/59/11/174335911.db2.gz JFMVXVFOWIWNCN-UHFFFAOYSA-N 1 0 205.208 1.014 40 0 BDABRO COCC[NH2+]Cc1cnn(CC(F)F)c1C ZINC000256052445 174335991 /nfs/dbraw/zinc/33/59/91/174335991.db2.gz NIWUYQYCTAVOIY-UHFFFAOYSA-N 1 0 233.262 1.193 40 0 BDABRO COc1cc2c(c(OC)c1OC)CC[NH2+]C2 ZINC000003847270 175020762 /nfs/dbraw/zinc/02/07/62/175020762.db2.gz HMJWNMXNHQIAGT-UHFFFAOYSA-N 1 0 223.272 1.358 40 0 BDABRO COc1cc2c(cc1OC)C(C[NH3+])=NCC2 ZINC000021984751 175024336 /nfs/dbraw/zinc/02/43/36/175024336.db2.gz YPVRKHBGTZZSFT-UHFFFAOYSA-N 1 0 220.272 1.008 40 0 BDABRO COc1ccc(CNCC[NH3+])cc1Cl ZINC000083188722 175106367 /nfs/dbraw/zinc/10/63/67/175106367.db2.gz OCMNXVAUZWCPPE-UHFFFAOYSA-N 1 0 214.696 1.397 40 0 BDABRO COc1ccc(N[C@H]2CCC[C@@H]2[NH3+])c(OC)c1 ZINC000218877179 175155445 /nfs/dbraw/zinc/15/54/45/175155445.db2.gz IBZZGXWTOISVDD-QWRGUYRKSA-N 1 0 236.315 1.996 40 0 BDABRO COc1ccc([C@@H](C[NH3+])OC)c(OC)c1 ZINC000049814957 175178482 /nfs/dbraw/zinc/17/84/82/175178482.db2.gz MZWGJHGEZQUTCY-LLVKDONJSA-N 1 0 211.261 1.350 40 0 BDABRO COc1ccc([C@@H]2CC(C[NH3+])=NO2)cc1 ZINC000222550700 175182146 /nfs/dbraw/zinc/18/21/46/175182146.db2.gz WWVNAPGWSDIAQC-NSHDSACASA-N 1 0 206.245 1.471 40 0 BDABRO COc1ccc([C@@H]2C[C@@H]2C[NH3+])cc1OC ZINC000041215822 175184409 /nfs/dbraw/zinc/18/44/09/175184409.db2.gz RAUYVYKEMYHHJA-ZJUUUORDSA-N 1 0 207.273 1.766 40 0 BDABRO COc1ccc([C@H]2[NH2+]CCO2)cc1OC ZINC000057548148 175198840 /nfs/dbraw/zinc/19/88/40/175198840.db2.gz TZYUWERDWYOBBN-NSHDSACASA-N 1 0 209.245 1.322 40 0 BDABRO COc1ccc2c(c1)[C@@H]1OCC[NH2+][C@H]1CC2 ZINC000001611850 175215226 /nfs/dbraw/zinc/21/52/26/175215226.db2.gz ZBQMPCXNGKZCPK-STQMWFEESA-N 1 0 219.284 1.671 40 0 in-vitro BDABRO COc1cccc(C=O)c1OCC[NH+]1CCCC1 ZINC000011993368 175249314 /nfs/dbraw/zinc/24/93/14/175249314.db2.gz VJCJAXDXVJCMCA-UHFFFAOYSA-N 1 0 249.310 1.982 40 0 BDABRO COc1cccc(CCCN2CC[C@@H]([NH3+])C2)c1 ZINC000096523490 175251981 /nfs/dbraw/zinc/25/19/81/175251981.db2.gz GMAMMKSADRNOBM-CYBMUJFWSA-N 1 0 234.343 1.661 40 0 BDABRO COc1cccc(C[C@H]2C[NH2+]CCO2)c1 ZINC000071510377 175272419 /nfs/dbraw/zinc/27/24/19/175272419.db2.gz UISHTKQOSMMBMW-LBPRGKRZSA-N 1 0 207.273 1.226 40 0 BDABRO COc1cccc(NC[C@@H]2C[C@@H]2C[NH3+])c1 ZINC000096509425 175278780 /nfs/dbraw/zinc/27/87/80/175278780.db2.gz AHWYKSMUPXDZLA-ZJUUUORDSA-N 1 0 206.289 1.702 40 0 BDABRO COc1cccc(OC[C@@H]2CCC[NH2+]2)c1 ZINC000020221595 175284199 /nfs/dbraw/zinc/28/41/99/175284199.db2.gz OYCRGQUKCYUSFQ-JTQLQIEISA-N 1 0 207.273 1.826 40 0 BDABRO COc1cccc([C@H]2CN(C)C[C@@H]2[NH3+])c1 ZINC000217662026 175295613 /nfs/dbraw/zinc/29/56/13/175295613.db2.gz CVUZDGAQAXALIR-NEPJUHHUSA-N 1 0 206.289 1.052 40 0 BDABRO COc1ccccc1Cn1cc[nH+]c1N ZINC000037483178 175334789 /nfs/dbraw/zinc/33/47/89/175334789.db2.gz PVHLOYZJMIFGBG-UHFFFAOYSA-N 1 0 203.245 1.522 40 0 BDABRO COc1ccccc1[C@@H]1C[C@H]2CC[C@H]([NH2+]2)[C@@H]1O ZINC000057467100 175349730 /nfs/dbraw/zinc/34/97/30/175349730.db2.gz ZIUHFKNTAABPLR-GASQSECBSA-N 1 0 233.311 1.664 40 0 BDABRO COc1cccnc1OC1CC[NH2+]CC1 ZINC000095483706 175357319 /nfs/dbraw/zinc/35/73/19/175357319.db2.gz KQRQQLWKUVHZSS-UHFFFAOYSA-N 1 0 208.261 1.221 40 0 BDABRO C[C@@H](C[NH3+])[C@@H]1c2ccccc2N(C)C1=O ZINC000039105331 175712611 /nfs/dbraw/zinc/71/26/11/175712611.db2.gz IPQHZOJSZRPBRA-GZMMTYOYSA-N 1 0 204.273 1.341 40 0 BDABRO C[C@@H]([C@@H]([NH3+])c1ccc(Cl)cc1)S(C)(=O)=O ZINC000075418382 176011261 /nfs/dbraw/zinc/01/12/61/176011261.db2.gz PLCMMWZDOGFYIG-OIBJUYFYSA-N 1 0 247.747 1.773 40 0 BDABRO C[C@@H](c1ccccn1)[NH+]1CCC(CO)CC1 ZINC000072203920 176027362 /nfs/dbraw/zinc/02/73/62/176027362.db2.gz WYZMMHCFCIVGAY-NSHDSACASA-N 1 0 220.316 1.847 40 0 BDABRO C[C@@H](c1nccs1)N(CCO)C1CC1 ZINC000079436089 176039312 /nfs/dbraw/zinc/03/93/12/176039312.db2.gz DPDAHPFTWLGWBK-QMMMGPOBSA-N 1 0 212.318 1.661 40 0 BDABRO C[C@@H]1CCCCN1C(=O)CC1CC[NH2+]CC1 ZINC000019483839 176066904 /nfs/dbraw/zinc/06/69/04/176066904.db2.gz AZTYLAURSGBYRB-LLVKDONJSA-N 1 0 224.348 1.777 40 0 BDABRO C[C@@H]1CCC[N@H+](CCCNC(=O)C2CC2)C1 ZINC000046959888 176097842 /nfs/dbraw/zinc/09/78/42/176097842.db2.gz QSVFFOOYCNDUJD-LLVKDONJSA-N 1 0 224.348 1.635 40 0 BDABRO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH2+]C1CC1 ZINC000037395125 176114184 /nfs/dbraw/zinc/11/41/84/176114184.db2.gz OXJYYZCBPIFBGU-NXEZZACHSA-N 1 0 210.321 1.528 40 0 BDABRO C[C@@H]1CCc2nnc(N3CC[C@@H]([NH3+])C3)cc2C1 ZINC000110769244 176240412 /nfs/dbraw/zinc/24/04/12/176240412.db2.gz XNNZPBZAFMQZCC-MWLCHTKSSA-N 1 0 232.331 1.139 40 0 BDABRO C[C@@H]1C[NH2+]CCN1CCCc1ccccc1 ZINC000041232108 176326801 /nfs/dbraw/zinc/32/68/01/176326801.db2.gz PLDXPZMYCKMIKL-CYBMUJFWSA-N 1 0 218.344 1.913 40 0 BDABRO C[C@@H]1C[NH2+]CCN1Cc1cc(F)cc(F)c1 ZINC000071978868 176326848 /nfs/dbraw/zinc/32/68/48/176326848.db2.gz WPVGFUHATFANCG-SECBINFHSA-N 1 0 226.270 1.759 40 0 BDABRO C[C@@H]1CS(=O)(=O)c2ccccc2[C@H]1[NH3+] ZINC000035755632 176349516 /nfs/dbraw/zinc/34/95/16/176349516.db2.gz NKQDYSFBXSCBFA-XCBNKYQSSA-N 1 0 211.286 1.110 40 0 BDABRO C[C@@H]1C[C@@H]1C(=O)N1CCC2(CC([NH+](C)C)C2)C1 ZINC000108524945 176384805 /nfs/dbraw/zinc/38/48/05/176384805.db2.gz HZWNIUGPDMFZAR-JJMZSNKZSA-N 1 0 236.359 1.585 40 0 BDABRO C[C@H]([C@@H]([NH3+])c1cccc(Cl)c1)S(C)(=O)=O ZINC000096524770 177030710 /nfs/dbraw/zinc/03/07/10/177030710.db2.gz PXXNSOTWTKWDKJ-GMSGAONNSA-N 1 0 247.747 1.773 40 0 BDABRO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](CO)C1 ZINC000072202899 177051561 /nfs/dbraw/zinc/05/15/61/177051561.db2.gz ZXTPHABXDVSFCI-MNOVXSKESA-N 1 0 221.304 1.242 40 0 BDABRO C[C@H]1CC(C)(C)[NH2+][C@H]([C@@H]2CCC=CO2)N1 ZINC000019325703 177064135 /nfs/dbraw/zinc/06/41/35/177064135.db2.gz HDKKTOGRZBBVBD-GARJFASQSA-N 1 0 210.321 1.755 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)Cc1ccccc1 ZINC000054369917 177282508 /nfs/dbraw/zinc/28/25/08/177282508.db2.gz SMDZTRJGADQMTK-NSHDSACASA-N 1 0 218.300 1.049 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)cc1 ZINC000054370263 177283924 /nfs/dbraw/zinc/28/39/24/177283924.db2.gz FZBKOAFOFNBYCS-VIFPVBQESA-N 1 0 238.718 1.774 40 0 BDABRO C[C@H]1CS(=O)(=O)c2ccccc2[C@H]1[NH3+] ZINC000035755634 177303403 /nfs/dbraw/zinc/30/34/03/177303403.db2.gz NKQDYSFBXSCBFA-XVKPBYJWSA-N 1 0 211.286 1.110 40 0 BDABRO COC(=O)[C@@]12CC[C@@](C)([C@H]([NH3+])C1)C2(C)C ZINC000109274932 488040989 /nfs/dbraw/zinc/04/09/89/488040989.db2.gz FJOFSQOENBVKBX-JFUSQASVSA-N 1 0 211.305 1.703 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1([NH3+])COC1 ZINC000575624227 491098176 /nfs/dbraw/zinc/09/81/76/491098176.db2.gz QAUKJGXFTGGQSL-SECBINFHSA-N 1 0 242.319 1.114 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]C=C[C@H]21 ZINC000228931788 518815507 /nfs/dbraw/zinc/81/55/07/518815507.db2.gz FHYMBTSBUBUOJC-RKDXNWHRSA-N 1 0 210.277 1.481 40 0 BDABRO CC(C)c1ccc(N2C(=O)[C@H]([NH3+])[C@H]2C)cc1 ZINC000225776104 519836739 /nfs/dbraw/zinc/83/67/39/519836739.db2.gz ZFJRRHWMTSTSBR-BXKDBHETSA-N 1 0 218.300 1.872 40 0 BDABRO C[NH2+][C@H]1CC[C@H](N(C(C)=O)C(C)C)CC1 ZINC000248008422 522506113 /nfs/dbraw/zinc/50/61/13/522506113.db2.gz QEJLWFXNQCTMFB-HAQNSBGRSA-N 1 0 212.337 1.774 40 0 BDABRO COC(=O)C1(C(F)(F)F)CC[NH2+]CC1 ZINC000060294972 522817325 /nfs/dbraw/zinc/81/73/25/522817325.db2.gz HPSMEFWLEASCHA-UHFFFAOYSA-N 1 0 211.183 1.092 40 0 BDABRO C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@H]([NH3+])[C@@H]21 ZINC000242687335 525156856 /nfs/dbraw/zinc/15/68/56/525156856.db2.gz UFRGULWDRREEHF-ZEBDFXRSSA-N 1 0 223.238 1.937 40 0 BDABRO [NH3+]C[C@@H]1[C@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]21 ZINC000253614665 527221257 /nfs/dbraw/zinc/22/12/57/527221257.db2.gz BRZYOBACYJLIOT-XYYAHUGASA-N 1 0 248.301 1.031 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH3+])[C@H](F)C1 ZINC000169804893 566334709 /nfs/dbraw/zinc/33/47/09/566334709.db2.gz BLNPSYMDOPAVFG-BXKDBHETSA-N 1 0 246.326 1.930 40 0 BDABRO C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000074713312 592307711 /nfs/dbraw/zinc/30/77/11/592307711.db2.gz NPELWRSDNKTPSF-UHFFFAOYSA-N 1 0 244.338 1.918 40 0 BDABRO C[C@@H]([NH3+])c1nnc2ccc(-c3ccsc3)nn21 ZINC000328579729 633778780 /nfs/dbraw/zinc/77/87/80/633778780.db2.gz YNUNWAQAUHNNNY-SSDOTTSWSA-N 1 0 245.311 1.873 40 0 BDABRO CC(C)(C)OC(=O)N1CC([C@H]([NH3+])C2CCC2)C1 ZINC000214704570 957178028 /nfs/dbraw/zinc/17/80/28/957178028.db2.gz MQNHIGBPJIWQKX-LLVKDONJSA-N 1 0 240.347 1.981 40 0 BDABRO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC000004203337 979322333 /nfs/dbraw/zinc/32/23/33/979322333.db2.gz IMGPTJPNIMPQCR-QWHCGFSZSA-N 1 0 249.310 1.306 40 0 BDABRO Cc1ccc[n+](-n2c(C)cc(=O)cc2C)c1 ZINC000005418199 980076280 /nfs/dbraw/zinc/07/62/80/980076280.db2.gz TTZAJWKWDHRMSX-UHFFFAOYSA-N 1 0 215.276 1.372 40 0 BDABRO CC[NH+]1CCC(c2nncn2CCOC)CC1 ZINC000072361084 343980114 /nfs/dbraw/zinc/98/01/14/343980114.db2.gz QYSKWHQIEJPIQM-UHFFFAOYSA-N 1 0 238.335 1.124 40 0 BDABRO Cc1cc(=O)cc([C@@H]2CCC[N@H+](CCO)C2)[nH]1 ZINC000072356864 178199253 /nfs/dbraw/zinc/19/92/53/178199253.db2.gz XYAZIJDWYGHFOA-LLVKDONJSA-N 1 0 236.315 1.267 40 0 BDABRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C)C1 ZINC000019479148 259308172 /nfs/dbraw/zinc/30/81/72/259308172.db2.gz QYFKHMNKZMJIHM-MXWKQRLJSA-N 1 0 212.337 1.618 40 0 BDABRO Cc1cc2nc3n(c2cc1C)C(C)(C)NC(=[NH2+])N3 ZINC000005372203 178304252 /nfs/dbraw/zinc/30/42/52/178304252.db2.gz LEFFLPPLRAOVAW-UHFFFAOYSA-N 1 0 243.314 1.895 40 0 BDABRO C[C@@H](C[NH+](C)C)C(=O)c1ccc(O)cc1 ZINC000001561836 342703173 /nfs/dbraw/zinc/70/31/73/342703173.db2.gz HONHUMVGQFYMCI-VIFPVBQESA-N 1 0 207.273 1.773 40 0 BDABRO CC[NH+](CC)CCn1c2ccccc2n(C)c1=O ZINC000001586782 342704650 /nfs/dbraw/zinc/70/46/50/342704650.db2.gz IWBWTSUEAZGCQC-UHFFFAOYSA-N 1 0 247.342 1.682 40 0 BDABRO CCN(CC)C(=O)OCC[NH+](CC)CC ZINC000001677423 342708426 /nfs/dbraw/zinc/70/84/26/342708426.db2.gz VQQWOHZUSZDEKQ-UHFFFAOYSA-N 1 0 216.325 1.807 40 0 BDABRO C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000001689835 342709237 /nfs/dbraw/zinc/70/92/37/342709237.db2.gz OQNIURKXRFUXHH-SNVBAGLBSA-N 1 0 220.316 1.515 40 0 BDABRO CC(C)(C)OC(=O)[C@H](O)[C@H]([NH3+])c1ccccc1 ZINC000004202568 342743966 /nfs/dbraw/zinc/74/39/66/342743966.db2.gz FTDZKKASRJHWGD-GHMZBOCLSA-N 1 0 237.299 1.389 40 0 BDABRO C[C@H]([NH3+])C(=O)Nc1ccc(F)c(Cl)c1 ZINC000004312877 342746464 /nfs/dbraw/zinc/74/64/64/342746464.db2.gz CETNTEZEBPXYSU-YFKPBYRVSA-N 1 0 216.643 1.765 40 0 BDABRO COC(=O)C[C@H]([NH3+])/C=C/c1ccccc1 ZINC000003851802 342738480 /nfs/dbraw/zinc/73/84/80/342738480.db2.gz HMZLJECLQZBGRA-WSKFYRRCSA-N 1 0 205.257 1.590 40 0 BDABRO COC[C@H](OC)c1ccc([C@@H](O)C[NH3+])cc1 ZINC000072220058 259319138 /nfs/dbraw/zinc/31/91/38/259319138.db2.gz URBDUTOIOCDRNK-RYUDHWBXSA-N 1 0 225.288 1.013 40 0 BDABRO CCC[NH+]1CCC(N)(C(F)(F)F)CC1 ZINC000082670609 259323225 /nfs/dbraw/zinc/32/32/25/259323225.db2.gz LZLCAPWINRXSFK-UHFFFAOYSA-N 1 0 210.243 1.752 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccccc1OC ZINC000242701412 259326140 /nfs/dbraw/zinc/32/61/40/259326140.db2.gz WDEWEEAIKZZIRC-RYUDHWBXSA-N 1 0 249.310 1.513 40 0 BDABRO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)CNC(=O)[C@H]3C)o1 ZINC000096066495 398312575 /nfs/dbraw/zinc/31/25/75/398312575.db2.gz PNCSJVBFDKKJNW-GVXVVHGQSA-N 1 0 248.326 1.402 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccc(OC)cc1 ZINC000217670269 398322453 /nfs/dbraw/zinc/32/24/53/398322453.db2.gz YJRBAAJTLOQLSQ-CHWSQXEVSA-N 1 0 249.310 1.513 40 0 BDABRO CS(=O)(=O)[C@H]1[C@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000218421172 398327513 /nfs/dbraw/zinc/32/75/13/398327513.db2.gz UGVPEMRDHWBYLJ-IVZWLZJFSA-N 1 0 245.731 1.178 40 0 BDABRO CCS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@@H]1c1ccc(C)cc1 ZINC000218418437 398327668 /nfs/dbraw/zinc/32/76/68/398327668.db2.gz RHJJQEUGCMQWRN-TUAOUCFPSA-N 1 0 239.340 1.223 40 0 BDABRO COc1ccc(Cn2cnc(C[NH3+])c2)cc1 ZINC000071520057 259331939 /nfs/dbraw/zinc/33/19/39/259331939.db2.gz HOAHCEUSJATFGH-UHFFFAOYSA-N 1 0 217.272 1.399 40 0 BDABRO [NH3+][C@@H]1CCc2cc(Br)ccc2[C@@H]1O ZINC000019795475 342957813 /nfs/dbraw/zinc/95/78/13/342957813.db2.gz SQGHVXDQPFYPPD-ZJUUUORDSA-N 1 0 242.116 1.756 40 0 BDABRO Clc1cccc([C@H]2C[NH2+]CCCN2)c1 ZINC000022462327 343049208 /nfs/dbraw/zinc/04/92/08/343049208.db2.gz FDYNAFFLXZQHDJ-LLVKDONJSA-N 1 0 210.708 1.964 40 0 BDABRO Cc1ccc(CN2CC[NH2+]CC2)c(C)c1 ZINC000022872510 343056192 /nfs/dbraw/zinc/05/61/92/343056192.db2.gz AXSRHKKUUHRHNV-UHFFFAOYSA-N 1 0 204.317 1.709 40 0 BDABRO CC(C)(C)OC(=O)N1CC([C@@H]([NH3+])C2CC2)C1 ZINC000214622791 343077536 /nfs/dbraw/zinc/07/75/36/343077536.db2.gz KQZAAPBUVSKOCQ-JTQLQIEISA-N 1 0 226.320 1.591 40 0 BDABRO COC(=O)CC[NH2+]Cc1ccc(OC)cc1 ZINC000036888743 343326432 /nfs/dbraw/zinc/32/64/32/343326432.db2.gz YLWNVTALHWOXLA-UHFFFAOYSA-N 1 0 223.272 1.348 40 0 BDABRO Cc1cc(C)nc(NC2CC[NH2+]CC2)n1 ZINC000035676111 343301972 /nfs/dbraw/zinc/30/19/72/343301972.db2.gz SSGIABRURKMOKB-UHFFFAOYSA-N 1 0 206.293 1.257 40 0 BDABRO CCN(Cc1ccc(OC)cc1)C(=O)C[NH3+] ZINC000037815895 343315324 /nfs/dbraw/zinc/31/53/24/343315324.db2.gz PTTNUVLXPNIYIV-UHFFFAOYSA-N 1 0 222.288 1.002 40 0 BDABRO CCN(Cc1ccc(C)cc1)C(=O)C[NH3+] ZINC000076583754 343366678 /nfs/dbraw/zinc/36/66/78/343366678.db2.gz CPOMSUSBZFJEOX-UHFFFAOYSA-N 1 0 206.289 1.302 40 0 BDABRO Cn1c2cc(Cl)ccc2nc1CC[NH3+] ZINC000040417108 343402386 /nfs/dbraw/zinc/40/23/86/343402386.db2.gz VJWLWZKZCDEHDP-UHFFFAOYSA-N 1 0 209.680 1.728 40 0 BDABRO CC[C@@H]([C@@H]([NH3+])C(C)(C)C)S(C)(=O)=O ZINC000096524917 343758939 /nfs/dbraw/zinc/75/89/39/343758939.db2.gz ZFNBSYOTISBHDD-JGVFFNPUSA-N 1 0 207.339 1.183 40 0 BDABRO [NH3+][C@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000038538997 343783476 /nfs/dbraw/zinc/78/34/76/343783476.db2.gz XYTGDNQKVACGOM-JTQLQIEISA-N 1 0 212.243 1.498 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2cn3ccccc3n2)C1 ZINC000041029871 343784491 /nfs/dbraw/zinc/78/44/91/343784491.db2.gz QHMHLVLAIGTQKA-NSHDSACASA-N 1 0 230.315 1.257 40 0 BDABRO CCOc1ccccc1[C@@H]1C[NH2+]C[C@H]1N ZINC000396828554 343811175 /nfs/dbraw/zinc/81/11/75/343811175.db2.gz OXGKTTPGTUEUOF-WDEREUQCSA-N 1 0 206.289 1.099 40 0 BDABRO C[C@H](CC[NH3+])n1nc(-c2cccs2)ccc1=O ZINC000575622299 343869063 /nfs/dbraw/zinc/86/90/63/343869063.db2.gz HLSPQOOSOOBPCE-SECBINFHSA-N 1 0 249.339 1.882 40 0 BDABRO COc1ccc(Br)cc1CC(N)=[NH2+] ZINC000049596337 344095653 /nfs/dbraw/zinc/09/56/53/344095653.db2.gz FSXDMNMTOIUMPM-UHFFFAOYSA-N 1 0 243.104 1.936 40 0 BDABRO CCC(CC)C[N@@H+]1CCC[C@]2(CN(C)C2=O)C1 ZINC000585099486 344132014 /nfs/dbraw/zinc/13/20/14/344132014.db2.gz NIQMTLBHLWFNEI-AWEZNQCLSA-N 1 0 238.375 1.977 40 0 BDABRO Cc1ccccc1OC[C@@]1(O)CC[NH2+]C1 ZINC000585274292 344396931 /nfs/dbraw/zinc/39/69/31/344396931.db2.gz IGYHDBGYJOLIFR-GFCCVEGCSA-N 1 0 207.273 1.098 40 0 BDABRO [NH3+]Cc1cncn1Cc1cc(F)ccc1F ZINC000085199236 344506267 /nfs/dbraw/zinc/50/62/67/344506267.db2.gz RKGFEBZZSSNCPB-UHFFFAOYSA-N 1 0 223.226 1.668 40 0 BDABRO CCc1ccc([C@@H]2C[NH2+]C[C@H]2C(=O)OC)cc1 ZINC000067173402 345716417 /nfs/dbraw/zinc/71/64/17/345716417.db2.gz JCSGJWKPOAXMPM-QWHCGFSZSA-N 1 0 233.311 1.725 40 0 BDABRO OC1(COc2ccc(F)cc2)CC[NH2+]CC1 ZINC000087969802 345939819 /nfs/dbraw/zinc/93/98/19/345939819.db2.gz KZTKMVXIOPNYCA-UHFFFAOYSA-N 1 0 225.263 1.319 40 0 BDABRO Cc1cccc(C[N@H+](CCO)C2CC2)c1 ZINC000048065486 179071984 /nfs/dbraw/zinc/07/19/84/179071984.db2.gz IZAYZACGERNQKJ-UHFFFAOYSA-N 1 0 205.301 1.952 40 0 BDABRO Cc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)n1 ZINC000107253822 179083956 /nfs/dbraw/zinc/08/39/56/179083956.db2.gz AHVXPEUFMDJJBF-WDNDVIMCSA-N 1 0 231.343 1.382 40 0 BDABRO COc1cc(C[C@H](C)[NH3+])cc2c1OCO2 ZINC000002001081 346494080 /nfs/dbraw/zinc/49/40/80/346494080.db2.gz YQYUWUKDEVZFDB-ZETCQYMHSA-N 1 0 209.245 1.314 40 0 in-man BDABRO Cc1cccc([C@@H]([NH3+])[C@H](C)S(C)(=O)=O)c1 ZINC000096524802 179186494 /nfs/dbraw/zinc/18/64/94/179186494.db2.gz DTDYLUSMEZVZIM-ONGXEEELSA-N 1 0 227.329 1.428 40 0 BDABRO C[N@@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000074204494 347252374 /nfs/dbraw/zinc/25/23/74/347252374.db2.gz DPPPALZSPFEMNV-CHWSQXEVSA-N 1 0 204.317 1.508 40 0 BDABRO Cc1ccccc1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000011958357 179279238 /nfs/dbraw/zinc/27/92/38/179279238.db2.gz BYSAELVAQQHOGA-LBPRGKRZSA-N 1 0 220.316 1.595 40 0 BDABRO Cc1ccccc1NC(=O)C[NH2+]C1CC1 ZINC000019262816 179299547 /nfs/dbraw/zinc/29/95/47/179299547.db2.gz SNZSRXQBCYFBDI-UHFFFAOYSA-N 1 0 204.273 1.686 40 0 BDABRO COc1ccc(OC)c([C@@H]2C[C@@]2(C[NH3+])CO)c1 ZINC000062713388 259405395 /nfs/dbraw/zinc/40/53/95/259405395.db2.gz YECZMYYTOKQJNL-WCQYABFASA-N 1 0 237.299 1.129 40 0 BDABRO C[NH2+]Cc1cccc(Cn2cncn2)c1 ZINC000012370302 187414727 /nfs/dbraw/zinc/41/47/27/187414727.db2.gz NALBKEBGCSWKQW-UHFFFAOYSA-N 1 0 202.261 1.046 40 0 BDABRO CCOC(=O)[C@@H]1[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000253611542 349258197 /nfs/dbraw/zinc/25/81/97/349258197.db2.gz YUKFHBYDDJRSIY-BTTYYORXSA-N 1 0 245.322 1.928 40 0 BDABRO CSc1nccc(OC[C@@H]2CCC[NH2+]2)n1 ZINC000072203072 191004795 /nfs/dbraw/zinc/00/47/95/191004795.db2.gz JOVYXUWBSMNYJZ-QMMMGPOBSA-N 1 0 225.317 1.329 40 0 BDABRO COC(=O)CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022538779 350113457 /nfs/dbraw/zinc/11/34/57/350113457.db2.gz RWFHGQXTRZOVHY-GHMZBOCLSA-N 1 0 213.321 1.918 40 0 BDABRO Cc1nc([C@H]2CCC[NH2+]C2)sc1C(N)=O ZINC000328579755 180056963 /nfs/dbraw/zinc/05/69/63/180056963.db2.gz ZSNLDZSONAQNIX-ZETCQYMHSA-N 1 0 225.317 1.802 40 0 BDABRO CCCCOc1ccccc1[C@@H](O)C[NH3+] ZINC000032012258 350176209 /nfs/dbraw/zinc/17/62/09/350176209.db2.gz LJQQFWIASZPWNT-NSHDSACASA-N 1 0 209.289 1.858 40 0 BDABRO CC[C@H](O)C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000037688812 350285867 /nfs/dbraw/zinc/28/58/67/350285867.db2.gz AKYDKECWXHAHNL-NSHDSACASA-N 1 0 239.315 1.564 40 0 BDABRO Cc1nn(-c2cccc[n+]2C)c2ncccc12 ZINC000000151235 180328391 /nfs/dbraw/zinc/32/83/91/180328391.db2.gz VHWVMNPQXMCWLA-UHFFFAOYSA-N 1 0 225.275 1.553 40 0 BDABRO Cc1ccc([C@@H]2C[NH2+]C[C@@H]2CO)c(Cl)c1 ZINC000409423328 350474750 /nfs/dbraw/zinc/47/47/50/350474750.db2.gz PVACWABOXZEMMN-MWLCHTKSSA-N 1 0 225.719 1.944 40 0 BDABRO Cc1cccc(NC2=[NH+]C(C)(C)NC(=N)N2)c1C ZINC000000203685 191108018 /nfs/dbraw/zinc/10/80/18/191108018.db2.gz RLCCKONBYMJOPX-UHFFFAOYSA-N 1 0 245.330 1.725 40 0 BDABRO C(OC[C@@]12CCCO[C@H]1CC[NH2+]C2)C1CC1 ZINC000096039921 187456602 /nfs/dbraw/zinc/45/66/02/187456602.db2.gz DTKGAAOGOXOWRT-STQMWFEESA-N 1 0 225.332 1.572 40 0 BDABRO C(O[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000096223609 187456942 /nfs/dbraw/zinc/45/69/42/187456942.db2.gz AQODFIDQIAZJLK-VXGBXAGGSA-N 1 0 211.305 1.324 40 0 BDABRO C[NH+]1CCC(O)(c2ccc3n[nH]cc3c2)CC1 ZINC000002526947 188101093 /nfs/dbraw/zinc/10/10/93/188101093.db2.gz HOZYPTAPNAJOST-UHFFFAOYSA-N 1 0 231.299 1.476 40 0 BDABRO CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000079437627 188117848 /nfs/dbraw/zinc/11/78/48/188117848.db2.gz ZHPPISBEWBMXCD-SNVBAGLBSA-N 1 0 228.336 1.994 40 0 BDABRO CC(C)N(CC[NH3+])Cc1ccc(Cl)nc1 ZINC000079421599 188118092 /nfs/dbraw/zinc/11/80/92/188118092.db2.gz IIMBWTFVMCNHKS-UHFFFAOYSA-N 1 0 227.739 1.904 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1nccs1 ZINC000079436395 188118128 /nfs/dbraw/zinc/11/81/28/188118128.db2.gz JFWUQFSBTOCEMI-IUCAKERBSA-N 1 0 241.360 1.646 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]2CC[NH2+]CC[C@H]2C1 ZINC000043214582 188121872 /nfs/dbraw/zinc/12/18/72/188121872.db2.gz SXVYKJHEKCFXFM-QWRGUYRKSA-N 1 0 240.347 1.853 40 0 BDABRO C1CCn2c(nnc2[C@@H]2CCC[NH2+]C2)C1 ZINC000082304136 188137687 /nfs/dbraw/zinc/13/76/87/188137687.db2.gz OWYXBQIJJQCRPC-SECBINFHSA-N 1 0 206.293 1.081 40 0 BDABRO CN(C(=O)[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000082321501 188138101 /nfs/dbraw/zinc/13/81/01/188138101.db2.gz RVTZWEPAMQVSSL-GFCCVEGCSA-N 1 0 232.327 1.991 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@H](F)C1 ZINC000107259844 188168433 /nfs/dbraw/zinc/16/84/33/188168433.db2.gz WWJQJSHXCBBXRO-HTQZYQBOSA-N 1 0 218.272 1.150 40 0 BDABRO CC(=O)N1[C@@H]2CCCC[C@H]3[NH2+]C[C@@H]1C[C@@]23C ZINC000257316820 188193058 /nfs/dbraw/zinc/19/30/58/188193058.db2.gz VHDLQTFEOLWRRQ-UMSGYPCISA-N 1 0 222.332 1.528 40 0 BDABRO Cc1nc(Nc2ccccn2)cc(C2C[NH2+]C2)n1 ZINC000257292539 188193709 /nfs/dbraw/zinc/19/37/09/188193709.db2.gz QMABOMPBQQMQCZ-UHFFFAOYSA-N 1 0 241.298 1.610 40 0 BDABRO Cc1nc(Nc2nccs2)cc(C2C[NH2+]C2)n1 ZINC000257271187 188193763 /nfs/dbraw/zinc/19/37/63/188193763.db2.gz MXEVTOINUGHRRM-UHFFFAOYSA-N 1 0 247.327 1.672 40 0 BDABRO CCCC[C@@H]1C[C@@H](O)C[N@@H+]1CCOC ZINC000217881581 188179693 /nfs/dbraw/zinc/17/96/93/188179693.db2.gz BXTVTPFYUDYCPX-GHMZBOCLSA-N 1 0 201.310 1.258 40 0 BDABRO C(O[C@H]1CSC2(C[NH2+]C2)C1)C1CCOCC1 ZINC000247829327 188192935 /nfs/dbraw/zinc/19/29/35/188192935.db2.gz HAYFLPPXXBKHPW-LLVKDONJSA-N 1 0 243.372 1.277 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000008699271 353698120 /nfs/dbraw/zinc/69/81/20/353698120.db2.gz REBCUOWHHZXWGJ-GHMZBOCLSA-N 1 0 223.247 1.302 40 0 BDABRO Fc1cccc(N[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC000096220024 181002669 /nfs/dbraw/zinc/00/26/69/181002669.db2.gz LXCJXVRSQHKXCM-CHWSQXEVSA-N 1 0 236.290 1.759 40 0 BDABRO Fc1cccc2c1COC21CC[NH2+]CC1 ZINC000038435254 181007261 /nfs/dbraw/zinc/00/72/61/181007261.db2.gz OHPPDBDWDSCFDD-UHFFFAOYSA-N 1 0 207.248 1.935 40 0 BDABRO Cc1ccccc1OC[C@@]1(O)CCC[NH2+]C1 ZINC000383823050 355366158 /nfs/dbraw/zinc/36/61/58/355366158.db2.gz JITLWQBDAPCYTB-CYBMUJFWSA-N 1 0 221.300 1.488 40 0 BDABRO NC(=[NH2+])c1cccc(Br)c1F ZINC000075847650 181196091 /nfs/dbraw/zinc/19/60/91/181196091.db2.gz OHOGXVYUUHFPAC-UHFFFAOYSA-N 1 0 217.041 1.872 40 0 BDABRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCO1 ZINC000054602956 363506316 /nfs/dbraw/zinc/50/63/16/363506316.db2.gz KXTBITIYTIQPMO-JFGNBEQYSA-N 1 0 209.289 1.361 40 0 BDABRO CC(C)CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000019518604 356859379 /nfs/dbraw/zinc/85/93/79/356859379.db2.gz YQZGMCGTCRGQDW-GFCCVEGCSA-N 1 0 220.316 1.849 40 0 BDABRO CC[C@H](C)[N@H+](C1CC1)[C@@H]1CNCC[C@]1(C)O ZINC000685936323 538754916 /nfs/dbraw/zinc/75/49/16/538754916.db2.gz QMSBJDKRCKCHIB-UHTWSYAYSA-N 1 0 226.364 1.362 40 0 BDABRO O=c1c2ccccc2cnn1C[C@H]1CCC[NH2+]C1 ZINC000043472104 259520855 /nfs/dbraw/zinc/52/08/55/259520855.db2.gz AEJYFOQCAALOLE-NSHDSACASA-N 1 0 243.310 1.396 40 0 BDABRO COc1cc(CC[NH3+])c(OC)c(C)c1C ZINC000027302343 363846620 /nfs/dbraw/zinc/84/66/20/363846620.db2.gz NFOHGLKGLZIHJQ-UHFFFAOYSA-N 1 0 209.289 1.822 40 0 in-vitro BDABRO CSCC[C@H]([NH3+])C(=O)N1CCC(C)CC1 ZINC000011754914 370750273 /nfs/dbraw/zinc/75/02/73/370750273.db2.gz RNOLAUHHHOSLGW-JTQLQIEISA-N 1 0 230.377 1.325 40 0 BDABRO Cc1cc(N2CCCC2)[nH+]cc1CCO ZINC000072223488 259531823 /nfs/dbraw/zinc/53/18/23/259531823.db2.gz DZRXVQYURVHJIV-UHFFFAOYSA-N 1 0 206.289 1.525 40 0 BDABRO [NH3+]CCN1CCC[C@H]1c1ccc(F)cc1 ZINC000032553283 181391899 /nfs/dbraw/zinc/39/18/99/181391899.db2.gz MZVHCSFZBODWPW-LBPRGKRZSA-N 1 0 208.280 1.921 40 0 BDABRO [NH3+]CCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000001701168 181392000 /nfs/dbraw/zinc/39/20/00/181392000.db2.gz IVEJXGNFULDNLM-CSKARUKUSA-N 1 0 248.307 1.682 40 0 BDABRO [NH3+]CCCc1ccc(O)c2ncccc12 ZINC000071453880 181386421 /nfs/dbraw/zinc/38/64/21/181386421.db2.gz OLPRAVUOLNBQRA-UHFFFAOYSA-N 1 0 202.257 1.832 40 0 BDABRO [NH3+]CCN(Cc1ccco1)C1CCCC1 ZINC000032012080 181390690 /nfs/dbraw/zinc/39/06/90/181390690.db2.gz YPLWPISNSAPNGB-UHFFFAOYSA-N 1 0 208.305 1.983 40 0 BDABRO [NH3+]CCNc1ncnc2ccc(Cl)cc21 ZINC000001683800 181398359 /nfs/dbraw/zinc/39/83/59/181398359.db2.gz HYMRIWWOGDIJHF-UHFFFAOYSA-N 1 0 222.679 1.654 40 0 in-vitro BDABRO [NH3+]CCOCc1ccc(Br)cc1 ZINC000028522041 181399189 /nfs/dbraw/zinc/39/91/89/181399189.db2.gz VFASDQPFCVVABI-UHFFFAOYSA-N 1 0 230.105 1.924 40 0 BDABRO [NH3+]CCOCc1ccccc1Br ZINC000051864458 181399563 /nfs/dbraw/zinc/39/95/63/181399563.db2.gz ASXJHRFHPLRCLF-UHFFFAOYSA-N 1 0 230.105 1.924 40 0 BDABRO c1ncc(C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000205684415 368356132 /nfs/dbraw/zinc/35/61/32/368356132.db2.gz LUXZPOZPTWSNTA-JHJVBQTASA-N 1 0 217.316 1.655 40 0 BDABRO OCC[NH+]1CC(Cc2nccc3cc[nH]c32)C1 ZINC000205677448 368356363 /nfs/dbraw/zinc/35/63/63/368356363.db2.gz DBQZWMWIRKRTLJ-UHFFFAOYSA-N 1 0 231.299 1.030 40 0 BDABRO c1c[nH]c(-c2cncc([C@H]3CCC[NH2+]C3)n2)n1 ZINC000205683877 368357131 /nfs/dbraw/zinc/35/71/31/368357131.db2.gz OUTUFPDZFPEORX-VIFPVBQESA-N 1 0 229.287 1.334 40 0 BDABRO c1n[nH]cc1-c1cnc(C[C@@H]2CC[NH2+]C2)cn1 ZINC000205691209 368358771 /nfs/dbraw/zinc/35/87/71/368358771.db2.gz DRTLXNHHHAASCU-VIFPVBQESA-N 1 0 229.287 1.019 40 0 BDABRO CNc1cc(C2(C)CC[NH2+]CC2)nc(C)n1 ZINC000205706208 368359470 /nfs/dbraw/zinc/35/94/70/368359470.db2.gz RZRKTGMBSDLNHU-UHFFFAOYSA-N 1 0 220.320 1.468 40 0 BDABRO COc1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC000214141953 368360732 /nfs/dbraw/zinc/36/07/32/368360732.db2.gz DSPUWEVLYKZPOM-UHFFFAOYSA-N 1 0 232.283 1.269 40 0 BDABRO FC(F)(F)c1cc(N[C@@H]2CC[NH2+]C2)ncn1 ZINC000208006165 368361348 /nfs/dbraw/zinc/36/13/48/368361348.db2.gz JSQSUZMEAHKBEK-ZCFIWIBFSA-N 1 0 232.209 1.269 40 0 BDABRO [NH3+]Cc1cncn1CCc1ccccc1 ZINC000075126460 370090028 /nfs/dbraw/zinc/09/00/28/370090028.db2.gz ORDUVXANEBPSPG-UHFFFAOYSA-N 1 0 201.273 1.585 40 0 BDABRO N[C@@H]1C(=O)N(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000256052233 370635868 /nfs/dbraw/zinc/63/58/68/370635868.db2.gz MMESDOYNVGBLPW-WDEREUQCSA-N 1 0 220.247 1.199 40 0 BDABRO [NH3+][C@@H](CO)Cc1ccc2ccccc2c1 ZINC000115406786 181548016 /nfs/dbraw/zinc/54/80/16/181548016.db2.gz LZJYDHODVGJYLK-CYBMUJFWSA-N 1 0 201.269 1.702 40 0 BDABRO [NH3+][C@H]1CCc2cc(Br)ccc2[C@H]1O ZINC000019795478 181655146 /nfs/dbraw/zinc/65/51/46/181655146.db2.gz SQGHVXDQPFYPPD-VHSXEESVSA-N 1 0 242.116 1.756 40 0 BDABRO CC(C)(C)OC(=O)N[C@@]1(C)CC[C@@H]([NH3+])C1 ZINC000215737523 371623540 /nfs/dbraw/zinc/62/35/40/371623540.db2.gz IENWELREOWCTHU-KCJUWKMLSA-N 1 0 214.309 1.781 40 0 BDABRO C[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@H](CO)C1 ZINC000217674065 371997137 /nfs/dbraw/zinc/99/71/37/371997137.db2.gz SWAUYCLOTDOUDN-QWRGUYRKSA-N 1 0 235.283 1.053 40 0 BDABRO Clc1ccc(OC[C@H]2CCC[NH2+]C2)nn1 ZINC000040434757 373262686 /nfs/dbraw/zinc/26/26/86/373262686.db2.gz JLYCDIMIEVEPNF-QMMMGPOBSA-N 1 0 227.695 1.508 40 0 BDABRO O=C(NCC[NH+]1CCCC1)NC1CCCCC1 ZINC000000401746 182184875 /nfs/dbraw/zinc/18/48/75/182184875.db2.gz PXCHELWVHDRIPW-UHFFFAOYSA-N 1 0 239.363 1.714 40 0 BDABRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+]2CCCC[C@@H]12 ZINC000001583786 183002584 /nfs/dbraw/zinc/00/25/84/183002584.db2.gz FQEQMASDZFXSJI-UPJWGTAASA-N 1 0 244.338 1.820 40 0 biogenic,in-vitro BDABRO OCC[C@@H]1C[NH2+]Cc2cc(Cl)ccc21 ZINC000095891403 183095627 /nfs/dbraw/zinc/09/56/27/183095627.db2.gz BWJGRUSVADYUNO-MRVPVSSYSA-N 1 0 211.692 1.909 40 0 BDABRO OCC[C@H]1C[NH2+]Cc2c(Cl)cccc21 ZINC000095884229 183098584 /nfs/dbraw/zinc/09/85/84/183098584.db2.gz NDSTTYGLXFFSBY-QMMMGPOBSA-N 1 0 211.692 1.909 40 0 BDABRO CCCCc1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000057340774 169030693 /nfs/dbraw/zinc/03/06/93/169030693.db2.gz MFLJZBDCKNCFEL-SECBINFHSA-N 1 0 209.293 1.879 40 0 BDABRO c1c2c(cc3c1CC[N@@H+]1CCC[C@@H]1C3)OCO2 ZINC000005124844 183321748 /nfs/dbraw/zinc/32/17/48/183321748.db2.gz QGNISKNAWYUGFO-GFCCVEGCSA-N 1 0 231.295 1.978 40 0 BDABRO c1c(C[NH+]2CCCC2)nc2n1CCCN2 ZINC000072226592 183321997 /nfs/dbraw/zinc/32/19/97/183321997.db2.gz PEOSFBRCLZUQOW-UHFFFAOYSA-N 1 0 206.293 1.295 40 0 BDABRO c1cc(C2CC[NH+](CC3CC3)CC2)n[nH]1 ZINC000072350799 183336614 /nfs/dbraw/zinc/33/66/14/183336614.db2.gz OWEHYMFGZVPZPY-UHFFFAOYSA-N 1 0 205.305 1.999 40 0 BDABRO CCC[N@@H+]1CCc2nc(NC#N)nc(C)c2C1 ZINC000049474133 169208116 /nfs/dbraw/zinc/20/81/16/169208116.db2.gz PLKORCWXAWHPPT-UHFFFAOYSA-N 1 0 231.303 1.446 40 0 BDABRO c1cc([C@@H]2C[NH2+]CCO2)ncc1N1CCCC1 ZINC000072386374 183362220 /nfs/dbraw/zinc/36/22/20/183362220.db2.gz IHIYWNRMJRKXHH-ZDUSSCGKSA-N 1 0 233.315 1.343 40 0 BDABRO CCCOC1(c2cnn(CC)c2)CC[NH2+]CC1 ZINC000096525692 169301615 /nfs/dbraw/zinc/30/16/15/169301615.db2.gz WSLZALXKYFSMTJ-UHFFFAOYSA-N 1 0 237.347 1.908 40 0 BDABRO c1coc(-c2cnc([C@H]3CCC[NH2+]C3)cn2)n1 ZINC000257266760 183505180 /nfs/dbraw/zinc/50/51/80/183505180.db2.gz MEJUTTVVOHNLCD-VIFPVBQESA-N 1 0 230.271 1.599 40 0 BDABRO C[NH+](C)CCCn1nc(-c2ccccc2)oc1=O ZINC000001717616 383927956 /nfs/dbraw/zinc/92/79/56/383927956.db2.gz KKFDVOCRGHZHOE-UHFFFAOYSA-N 1 0 247.298 1.455 40 0 BDABRO CN1CC[C@](CC[NH+](C)C)(c2ccccc2)C1=O ZINC000001717937 383928988 /nfs/dbraw/zinc/92/89/88/383928988.db2.gz OCLJHJJTJRUCLS-OAHLLOKOSA-N 1 0 246.354 1.738 40 0 BDABRO C[C@H]([NH3+])C(=O)N(Cc1ccccc1F)C1CC1 ZINC000037801458 383889379 /nfs/dbraw/zinc/88/93/79/383889379.db2.gz TWHXGJJJYQWKOO-VIFPVBQESA-N 1 0 236.290 1.664 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1nccs1 ZINC000070732428 383962158 /nfs/dbraw/zinc/96/21/58/383962158.db2.gz PDBJNJJEDKSRQO-YUMQZZPRSA-N 1 0 227.333 1.304 40 0 BDABRO C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000038121131 383976037 /nfs/dbraw/zinc/97/60/37/383976037.db2.gz SGAFQEZVAXFISU-SNVBAGLBSA-N 1 0 244.132 1.876 40 0 BDABRO [NH3+]Cc1nnc2n1CCC[C@H]2C(F)(F)F ZINC000090225657 384034150 /nfs/dbraw/zinc/03/41/50/384034150.db2.gz CHNSMJPAYBYFIK-RXMQYKEDSA-N 1 0 220.198 1.177 40 0 BDABRO CCOC(=O)C[C@](C)(CC)[NH+]1CCOCC1 ZINC000070823418 384041527 /nfs/dbraw/zinc/04/15/27/384041527.db2.gz IUIDCNTZSRUDFW-LBPRGKRZSA-N 1 0 229.320 1.441 40 0 BDABRO CC[N@H+](CCO)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393503 384133746 /nfs/dbraw/zinc/13/37/46/384133746.db2.gz NREMRULTNGFOCR-OAHLLOKOSA-N 1 0 248.370 1.575 40 0 BDABRO c1ccc2c(c1)C[NH+]=C(N1CCOCC1)N2 ZINC000005776486 384129979 /nfs/dbraw/zinc/12/99/79/384129979.db2.gz JZDLZOSZQKCMJV-UHFFFAOYSA-N 1 0 217.272 1.110 40 0 BDABRO CN(Cc1nccc2ccccc21)C(=O)C[NH3+] ZINC000079422188 384146556 /nfs/dbraw/zinc/14/65/56/384146556.db2.gz KPMNHYBWLWQKEW-UHFFFAOYSA-N 1 0 229.283 1.152 40 0 BDABRO CSc1nccnc1CN(CC[NH3+])C(C)C ZINC000079422250 384146876 /nfs/dbraw/zinc/14/68/76/384146876.db2.gz AZZAMZCUPYNGNP-UHFFFAOYSA-N 1 0 240.376 1.368 40 0 BDABRO CCN(Cc1ccncc1)C[C@@H]([NH3+])C(C)C ZINC000042516898 384153772 /nfs/dbraw/zinc/15/37/72/384153772.db2.gz ZBHJGBGPACUAAC-CYBMUJFWSA-N 1 0 221.348 1.887 40 0 BDABRO CC(C)[NH+]1CCC(O)(c2ccco2)CC1 ZINC000068978896 384165692 /nfs/dbraw/zinc/16/56/92/384165692.db2.gz ZBIRTOBNIDFUER-UHFFFAOYSA-N 1 0 209.289 1.971 40 0 BDABRO c1ccc2c(c1)CC[NH+]=C(N1CCCC1)N2 ZINC000006928852 384170629 /nfs/dbraw/zinc/17/06/29/384170629.db2.gz DBQJJNFWJRPHSB-UHFFFAOYSA-N 1 0 215.300 1.916 40 0 BDABRO O=c1c2ccccc2cnn1C[C@@H]1CCCC[NH2+]1 ZINC000043494176 384188753 /nfs/dbraw/zinc/18/87/53/384188753.db2.gz VDBYIKWBBIYPLD-LBPRGKRZSA-N 1 0 243.310 1.539 40 0 BDABRO CC(C)(C)OC(=O)NCC1CC([NH3+])C1 ZINC000072208878 384200680 /nfs/dbraw/zinc/20/06/80/384200680.db2.gz OVVBOBKSGLYQRG-UHFFFAOYSA-N 1 0 200.282 1.248 40 0 BDABRO Cc1cc(=O)cc([C@H]2CN(C(C)C)CCO2)[nH]1 ZINC000072356981 384210525 /nfs/dbraw/zinc/21/05/25/384210525.db2.gz BVRFAIHUNVDXBR-CYBMUJFWSA-N 1 0 236.315 1.465 40 0 BDABRO Cc1cc(C)nc([C@H]2CCCCN2C(=O)C[NH3+])n1 ZINC000072361446 384212871 /nfs/dbraw/zinc/21/28/71/384212871.db2.gz CDWIDQYVSBCBLB-LLVKDONJSA-N 1 0 248.330 1.106 40 0 BDABRO C[C@H]([NH3+])c1nc2cnccc2n1C1CC1 ZINC000084132743 384225282 /nfs/dbraw/zinc/22/52/82/384225282.db2.gz WWMRRMVFDUHYCU-ZETCQYMHSA-N 1 0 202.261 1.786 40 0 BDABRO C[NH+](C)C1CCC([N@H+](CC(=O)[O-])C2CC2)CC1 ZINC000083318629 384289600 /nfs/dbraw/zinc/28/96/00/384289600.db2.gz GVNQGHAYNYPCDX-UHFFFAOYSA-N 1 0 240.347 1.408 40 0 BDABRO C[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000074707309 384300568 /nfs/dbraw/zinc/30/05/68/384300568.db2.gz JBLPLGMOSKGZNF-UHFFFAOYSA-N 1 0 222.288 1.238 40 0 BDABRO C[NH+](C)CCOc1cncc(Br)c1 ZINC000013819609 384372690 /nfs/dbraw/zinc/37/26/90/384372690.db2.gz SROIVRQGULXMOZ-UHFFFAOYSA-N 1 0 245.120 1.785 40 0 BDABRO FC(F)(F)CN1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000114883839 384418375 /nfs/dbraw/zinc/41/83/75/384418375.db2.gz HMXUITWZJXSEBR-DTWKUNHWSA-N 1 0 222.254 1.765 40 0 BDABRO O=C(OCc1ccccc1)N1C[C@H]2C[NH2+]CC[C@H]21 ZINC000095626831 384382327 /nfs/dbraw/zinc/38/23/27/384382327.db2.gz GSSIZLVUEGJKBB-CHWSQXEVSA-N 1 0 246.310 1.617 40 0 BDABRO C[C@@H]([NH3+])c1nc(COc2ccccc2)n[nH]1 ZINC000061843881 384383118 /nfs/dbraw/zinc/38/31/18/384383118.db2.gz OWNNAIWHGTUQHC-MRVPVSSYSA-N 1 0 218.260 1.403 40 0 BDABRO O=C(c1cccnc1)N1CCC2(CCC[NH2+]2)CC1 ZINC000096049364 384429609 /nfs/dbraw/zinc/42/96/09/384429609.db2.gz HVOFZGSUASZIDU-UHFFFAOYSA-N 1 0 245.326 1.440 40 0 BDABRO C1C[C@@]2(CC[N@@H+](C3CCOCC3)C2)CO1 ZINC000096051059 384429708 /nfs/dbraw/zinc/42/97/08/384429708.db2.gz WMUSSPCVQOEZOQ-GFCCVEGCSA-N 1 0 211.305 1.278 40 0 BDABRO C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000001677385 384434303 /nfs/dbraw/zinc/43/43/03/384434303.db2.gz JZDKVWMSZWQTBR-SNVBAGLBSA-N 1 0 204.273 1.291 40 0 BDABRO CO[C@H]1C[N@H+](Cc2ccsc2)[C@@H]2COC[C@H]12 ZINC000096184958 384439751 /nfs/dbraw/zinc/43/97/51/384439751.db2.gz ANSIBEXZBSPNLS-TUAOUCFPSA-N 1 0 239.340 1.594 40 0 BDABRO c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)nc1 ZINC000096209218 384442052 /nfs/dbraw/zinc/44/20/52/384442052.db2.gz RELYYHJESFSLRE-DGCLKSJQSA-N 1 0 233.315 1.405 40 0 BDABRO CO[C@H]1CO[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096218342 384443334 /nfs/dbraw/zinc/44/33/34/384443334.db2.gz VEKMASJUMRBDAS-ZIAGYGMSSA-N 1 0 248.326 1.461 40 0 BDABRO O=C1[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000047845128 384468900 /nfs/dbraw/zinc/46/89/00/384468900.db2.gz DXLWDHDUFRJNJZ-TXEJJXNPSA-N 1 0 201.269 1.707 40 0 BDABRO C[C@](CN)(c1ccccc1)[NH+]1CCCC1 ZINC000070453375 384563068 /nfs/dbraw/zinc/56/30/68/384563068.db2.gz PFCQTLKUFBZCCE-ZDUSSCGKSA-N 1 0 204.317 1.956 40 0 BDABRO C[C@@](C[NH3+])(c1cccs1)N1CCOCC1 ZINC000070453219 384563649 /nfs/dbraw/zinc/56/36/49/384563649.db2.gz VWHQKSNWEWIICM-LLVKDONJSA-N 1 0 226.345 1.254 40 0 BDABRO [NH3+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000100004471 384606700 /nfs/dbraw/zinc/60/67/00/384606700.db2.gz BRHRYGHDIMFVQX-MGCOHNPYSA-N 1 0 242.116 1.758 40 0 BDABRO O=C1CC2(CC[NH2+]CC2)C(=O)N1c1ccccc1 ZINC000082308916 384663396 /nfs/dbraw/zinc/66/33/96/384663396.db2.gz LTOKLZWIUKWKGP-UHFFFAOYSA-N 1 0 244.294 1.320 40 0 BDABRO [NH3+][C@H]1CCCn2c1nnc2C(F)(F)F ZINC000084383250 384690005 /nfs/dbraw/zinc/69/00/05/384690005.db2.gz QNMRNIYWGJIYDX-BYPYZUCNSA-N 1 0 206.171 1.091 40 0 BDABRO C[NH+]1CCC(NC(=O)/C=C/c2ccco2)CC1 ZINC000101986171 384695992 /nfs/dbraw/zinc/69/59/92/384695992.db2.gz HGFTZENCAHHPPH-SNAWJCMRSA-N 1 0 234.299 1.503 40 0 BDABRO CC[C@H]1CCCC[N@@H+]1Cc1c(C[NH3+])cnn1C ZINC000408716246 384701756 /nfs/dbraw/zinc/70/17/56/384701756.db2.gz KHYKSSPGOLJLJE-LBPRGKRZSA-N 1 0 236.363 1.643 40 0 BDABRO C[NH2+][C@@H](C)C(=O)c1ccc(OC)c(OC)c1 ZINC000041610515 384728374 /nfs/dbraw/zinc/72/83/74/384728374.db2.gz VFOPXGBJCFJIFX-QMMMGPOBSA-N 1 0 223.272 1.494 40 0 in-vitro BDABRO CC[C@@H](NC(=O)[C@H](C)[NH3+])c1ccccc1 ZINC000051628308 384823980 /nfs/dbraw/zinc/82/39/80/384823980.db2.gz BVPRIMPISJNHNB-GXSJLCMTSA-N 1 0 206.289 1.601 40 0 BDABRO C[NH+](C)CCn1cnc2ccc(Cl)nc21 ZINC000096311478 384880977 /nfs/dbraw/zinc/88/09/77/384880977.db2.gz XLXYFBBTQXDVIE-UHFFFAOYSA-N 1 0 224.695 1.646 40 0 BDABRO Cc1nc(-c2ccc(Cl)cc2)[nH]c(=O)c1C[NH3+] ZINC000084576710 384883186 /nfs/dbraw/zinc/88/31/86/384883186.db2.gz QZGQHZJBFIKBOL-UHFFFAOYSA-N 1 0 249.701 1.857 40 0 BDABRO Clc1cccc(C[C@H]2C[NH2+]CCO2)c1 ZINC000071518404 384952515 /nfs/dbraw/zinc/95/25/15/384952515.db2.gz FJHLPCIWNNMKKX-NSHDSACASA-N 1 0 211.692 1.871 40 0 BDABRO CC[C@](C)(Nc1ccccc1)[C@@H](C[NH3+])CO ZINC000072210370 385068488 /nfs/dbraw/zinc/06/84/88/385068488.db2.gz MNVSZBWXJWTAFU-AAEUAGOBSA-N 1 0 222.332 1.834 40 0 BDABRO CN(C)c1ccc([C@H]2CCCN2C=O)cn1 ZINC000072212584 385076476 /nfs/dbraw/zinc/07/64/76/385076476.db2.gz OFSFTDDDEPTZQK-LLVKDONJSA-N 1 0 219.288 1.441 40 0 BDABRO O=c1[nH]ccc2c1C[N@H+](CC1(O)CCC1)CC2 ZINC000408365442 385037362 /nfs/dbraw/zinc/03/73/62/385037362.db2.gz QTVKMOMDCHRILD-UHFFFAOYSA-N 1 0 234.299 1.060 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nc([C@H]2CCCO2)n[nH]1 ZINC000095534781 385047280 /nfs/dbraw/zinc/04/72/80/385047280.db2.gz FBOLPPDWEIHMRR-HTQZYQBOSA-N 1 0 210.281 1.312 40 0 BDABRO CC[C@@H]([NH3+])c1cnc(N2CCOCC2)cc1C ZINC000072223558 385113586 /nfs/dbraw/zinc/11/35/86/385113586.db2.gz PVRUMSDRFCSJBE-GFCCVEGCSA-N 1 0 235.331 1.636 40 0 BDABRO CCOc1ccc(CCN2CC[C@H]([NH3+])C2)cc1 ZINC000057954334 385100066 /nfs/dbraw/zinc/10/00/66/385100066.db2.gz QCAIUVLHPUCGMC-ZDUSSCGKSA-N 1 0 234.343 1.661 40 0 BDABRO Cc1cc([C@@H]2CCC[NH2+]2)cnc1N1CCOCC1 ZINC000072219322 385103731 /nfs/dbraw/zinc/10/37/31/385103731.db2.gz AKXPRKXMSHWNLO-ZDUSSCGKSA-N 1 0 247.342 1.651 40 0 BDABRO C[S@](=O)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000044138776 385197179 /nfs/dbraw/zinc/19/71/79/385197179.db2.gz WJGBOLJHUKMNLC-OAHLLOKOSA-N 1 0 223.341 1.891 40 0 BDABRO CCCn1ccc([C@@H](O)C2(C[NH3+])CCC2)n1 ZINC000085395984 385161102 /nfs/dbraw/zinc/16/11/02/385161102.db2.gz OFHANYTUAARFLW-LLVKDONJSA-N 1 0 223.320 1.456 40 0 BDABRO COC(=O)[C@]12CC[C@](C)([C@@H]([NH3+])C1)C2(C)C ZINC000085398669 385164834 /nfs/dbraw/zinc/16/48/34/385164834.db2.gz FJOFSQOENBVKBX-AXTRIDKLSA-N 1 0 211.305 1.703 40 0 BDABRO FC(F)(F)c1cc(N2CCC[NH2+]CC2)ncn1 ZINC000096516870 385256690 /nfs/dbraw/zinc/25/66/90/385256690.db2.gz YNOGQVZXFVQSRC-UHFFFAOYSA-N 1 0 246.236 1.295 40 0 BDABRO CCCC[C@H]1C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000013111068 385257455 /nfs/dbraw/zinc/25/74/55/385257455.db2.gz STORFKBLQPNTLC-YUMQZZPRSA-N 1 0 230.333 1.735 40 0 BDABRO CC(C)[C@H]([NH3+])c1nc2cnccc2c(=O)[nH]1 ZINC000096510440 385249070 /nfs/dbraw/zinc/24/90/70/385249070.db2.gz XHJMUDWMNMJJQQ-VIFPVBQESA-N 1 0 218.260 1.386 40 0 BDABRO C[C@@H]([NH3+])c1nc2cnccc2n1CC1CC1 ZINC000096510510 385249312 /nfs/dbraw/zinc/24/93/12/385249312.db2.gz SZWQIKMZXHZTEK-MRVPVSSYSA-N 1 0 216.288 1.861 40 0 BDABRO Cc1noc(C)c1Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000096511473 385253409 /nfs/dbraw/zinc/25/34/09/385253409.db2.gz ZSDOQNDDSHAPEC-JTQLQIEISA-N 1 0 248.286 1.690 40 0 BDABRO COCc1cc(N2CC[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000096516991 385254889 /nfs/dbraw/zinc/25/48/89/385254889.db2.gz WGPSHQYIXBRIDU-JTQLQIEISA-N 1 0 248.330 1.038 40 0 BDABRO [NH3+][C@@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000050227822 385306041 /nfs/dbraw/zinc/30/60/41/385306041.db2.gz WGGZDWMOHFVBHY-MRVPVSSYSA-N 1 0 212.243 1.498 40 0 BDABRO O=Cc1ccc(OCCCN2CC[NH2+]CC2)cc1 ZINC000019798086 385311433 /nfs/dbraw/zinc/31/14/33/385311433.db2.gz XDVSRSZZQVJLNF-UHFFFAOYSA-N 1 0 248.326 1.173 40 0 BDABRO [NH3+][C@@H]1CCCN(c2cc3c(nn2)CCCCC3)C1 ZINC000096516142 385258360 /nfs/dbraw/zinc/25/83/60/385258360.db2.gz WJWFXXDZUSLNAQ-GFCCVEGCSA-N 1 0 246.358 1.673 40 0 BDABRO Cc1ccc(CN2CCCC[C@H]2C[NH3+])cn1 ZINC000096523615 385268169 /nfs/dbraw/zinc/26/81/69/385268169.db2.gz KQASOOUAYSDJEF-ZDUSSCGKSA-N 1 0 219.332 1.703 40 0 BDABRO CSCC[C@@H]([NH3+])CN1CCSCC1 ZINC000096523866 385272417 /nfs/dbraw/zinc/27/24/17/385272417.db2.gz XJHMNKQFVRZWDU-SECBINFHSA-N 1 0 220.407 1.116 40 0 BDABRO COCCn1c(C)[nH+]c2cc(N)ccc21 ZINC000009238242 385335138 /nfs/dbraw/zinc/33/51/38/385335138.db2.gz SQKNULLMDLMYFS-UHFFFAOYSA-N 1 0 205.261 1.573 40 0 BDABRO CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CO1 ZINC000095097821 385454494 /nfs/dbraw/zinc/45/44/94/385454494.db2.gz SESQQHGOEZIHFX-VXGBXAGGSA-N 1 0 240.347 1.108 40 0 BDABRO [NH3+]C[C@H](O)CNc1cc(Cl)ccc1Cl ZINC000005003984 385642023 /nfs/dbraw/zinc/64/20/23/385642023.db2.gz XDMBRADTNWFEMF-ZETCQYMHSA-N 1 0 235.114 1.725 40 0 BDABRO C([C@H]1CCCC[NH2+]1)N1CCSCC1 ZINC000020257468 385668969 /nfs/dbraw/zinc/66/89/69/385668969.db2.gz TUIXDAZMOPIOKB-SNVBAGLBSA-N 1 0 200.351 1.177 40 0 BDABRO C[C@]1(O)CC[NH2+]C[C@@H]1Oc1cccc(F)c1 ZINC000257214135 385751898 /nfs/dbraw/zinc/75/18/98/385751898.db2.gz CKSAHTKAHWZGLZ-RYUDHWBXSA-N 1 0 225.263 1.317 40 0 BDABRO CNc1cc(C)nc([C@@]2(C)CCC[NH2+]2)n1 ZINC000257211951 385753295 /nfs/dbraw/zinc/75/32/95/385753295.db2.gz CBFOBVPVDYRHNQ-LLVKDONJSA-N 1 0 206.293 1.425 40 0 BDABRO C[C@]12CC[N@H+](C3CCCC3)[C@H]1CCC(=O)N2 ZINC000257274373 385759088 /nfs/dbraw/zinc/75/90/88/385759088.db2.gz NKTVMKHVWXGJDU-AAEUAGOBSA-N 1 0 222.332 1.672 40 0 BDABRO Cc1cc(-c2ccc(C[C@@H]3CC[NH2+]C3)cn2)n[nH]1 ZINC000257308251 385760585 /nfs/dbraw/zinc/76/05/85/385760585.db2.gz TWAWJJSTZOFCLN-LBPRGKRZSA-N 1 0 242.326 1.932 40 0 BDABRO CN1CCC([N@@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC000257317690 385765014 /nfs/dbraw/zinc/76/50/14/385765014.db2.gz VKUNSVPFKSWEQH-CQSZACIVSA-N 1 0 246.358 1.708 40 0 BDABRO c1cnc(N2CCCC23CC[NH2+]CC3)nc1 ZINC000257751942 385774395 /nfs/dbraw/zinc/77/43/95/385774395.db2.gz VDKCOOUNDXSIDX-UHFFFAOYSA-N 1 0 218.304 1.199 40 0 BDABRO CSc1ncc(CNCCC[NH+](C)C)cn1 ZINC000062718333 385727107 /nfs/dbraw/zinc/72/71/07/385727107.db2.gz VJBAXXGUXGCECI-UHFFFAOYSA-N 1 0 240.376 1.240 40 0 BDABRO CCN(CC)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000036757304 385822944 /nfs/dbraw/zinc/82/29/44/385822944.db2.gz UDQJENQFICDNPM-NSHDSACASA-N 1 0 212.337 1.635 40 0 BDABRO Fc1ccc2c(c1)CC[C@]21COCC[NH2+]1 ZINC000306145730 385994039 /nfs/dbraw/zinc/99/40/39/385994039.db2.gz OSFOGHVKUKJGSU-LBPRGKRZSA-N 1 0 207.248 1.587 40 0 BDABRO COc1ccc(OC[C@@H](O)C[NH2+]C2CC2)cc1 ZINC000033465997 386041690 /nfs/dbraw/zinc/04/16/90/386041690.db2.gz ZDZHBZNVLKSRCN-NSHDSACASA-N 1 0 237.299 1.187 40 0 BDABRO COc1ccc(OC[C@H](O)C[NH2+]C2CC2)cc1 ZINC000033465998 386042224 /nfs/dbraw/zinc/04/22/24/386042224.db2.gz ZDZHBZNVLKSRCN-LLVKDONJSA-N 1 0 237.299 1.187 40 0 BDABRO [NH3+]C[C@H](c1ccc2c(c1)CCO2)N1CCCC1 ZINC000037363614 386230345 /nfs/dbraw/zinc/23/03/45/386230345.db2.gz VBVBMDSLBHOHFL-CYBMUJFWSA-N 1 0 232.327 1.717 40 0 BDABRO [NH3+]C[C@H]1C[C@@]12CCOc1ccc(F)cc12 ZINC000218683228 386358369 /nfs/dbraw/zinc/35/83/69/386358369.db2.gz XXSNIODYNIZWCE-PELKAZGASA-N 1 0 207.248 1.825 40 0 BDABRO C[NH2+]Cc1ccc(C[C@H]2CNC(=O)OC2)s1 ZINC000218692335 386408275 /nfs/dbraw/zinc/40/82/75/386408275.db2.gz YUIPYMPUBRXZMK-QMMMGPOBSA-N 1 0 240.328 1.366 40 0 BDABRO [NH3+][C@@H]1CCC[C@H]1NCc1ccc(F)cc1 ZINC000218873567 386427330 /nfs/dbraw/zinc/42/73/30/386427330.db2.gz FBZYASFAIZMFDP-VXGBXAGGSA-N 1 0 208.280 1.795 40 0 BDABRO c1nnc([C@@H]2CCC[NH2+]C2)n1CC1CC1 ZINC000328579458 386529316 /nfs/dbraw/zinc/52/93/16/386529316.db2.gz JQKQRWUYDNPETG-SNVBAGLBSA-N 1 0 206.293 1.155 40 0 BDABRO CCOc1ccc(C2CC[NH2+]CC2)nn1 ZINC000328579757 386527566 /nfs/dbraw/zinc/52/75/66/386527566.db2.gz ZUKKSDYRNYLCOS-UHFFFAOYSA-N 1 0 207.277 1.342 40 0 BDABRO Cc1noc([C@@H]2C[NH2+]CC23CCCC3)n1 ZINC000328579488 386528009 /nfs/dbraw/zinc/52/80/09/386528009.db2.gz KUJOSMHOLFCGFI-VIFPVBQESA-N 1 0 207.277 1.625 40 0 BDABRO O=C1CCC2(CC[NH2+]CC2)N1CC1CC1 ZINC000098214168 386582972 /nfs/dbraw/zinc/58/29/72/386582972.db2.gz WSZYOLPTWHSMOK-UHFFFAOYSA-N 1 0 208.305 1.141 40 0 BDABRO COC[C@H]1C[N@@H+](C2CCCC2)Cc2c1cnn2C ZINC000248005960 386741436 /nfs/dbraw/zinc/74/14/36/386741436.db2.gz CAADBDANYAYVHZ-LLVKDONJSA-N 1 0 249.358 1.908 40 0 BDABRO COc1ccc(O[C@H]2CCC[NH2+]C2)nc1 ZINC000095483721 386990968 /nfs/dbraw/zinc/99/09/68/386990968.db2.gz PGJYHNNFZJFDNQ-JTQLQIEISA-N 1 0 208.261 1.221 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(Cl)cc1 ZINC000011958394 387005231 /nfs/dbraw/zinc/00/52/31/387005231.db2.gz QJGXYTGFXXUOIF-NSHDSACASA-N 1 0 240.734 1.940 40 0 BDABRO Cc1nc(C2CC2)cc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000575415066 387021480 /nfs/dbraw/zinc/02/14/80/387021480.db2.gz NMNSSEYTETZRFN-LLVKDONJSA-N 1 0 232.331 1.590 40 0 BDABRO c1ccc(OCc2noc3c2C[NH2+]CC3)nc1 ZINC000096260118 387025585 /nfs/dbraw/zinc/02/55/85/387025585.db2.gz ZLCPUXYKJNYDET-UHFFFAOYSA-N 1 0 231.255 1.294 40 0 BDABRO c1cnc2oc(C3CC[NH2+]CC3)nc2c1 ZINC000026460129 387374681 /nfs/dbraw/zinc/37/46/81/387374681.db2.gz HJDIKEYLAZTQPB-UHFFFAOYSA-N 1 0 203.245 1.690 40 0 BDABRO C[NH2+][C@@H]1CCCN(Cc2ccc(OC)cc2)C1 ZINC000053201428 387533593 /nfs/dbraw/zinc/53/35/93/387533593.db2.gz VYSRWWOADBCCTB-CYBMUJFWSA-N 1 0 234.343 1.879 40 0 BDABRO COC(=O)[C@@H]1C[C@H]([NH3+])c2cc(F)ccc2O1 ZINC000040546780 387783316 /nfs/dbraw/zinc/78/33/16/387783316.db2.gz GKJNKHRZXFQWAP-WPRPVWTQSA-N 1 0 225.219 1.150 40 0 BDABRO [NH3+]CCn1nc(C(F)F)cc1C(F)F ZINC000012357725 387849161 /nfs/dbraw/zinc/84/91/61/387849161.db2.gz QVYATSMWQFTEMY-UHFFFAOYSA-N 1 0 211.162 1.717 40 0 BDABRO c1ccc2c(c1)ncnc2N[C@H]1CC[NH2+]C1 ZINC000052093963 387849715 /nfs/dbraw/zinc/84/97/15/387849715.db2.gz XVTBSEBCNFXKGC-VIFPVBQESA-N 1 0 214.272 1.404 40 0 BDABRO Cc1c(C[NH2+]Cc2cnn(C(C)C)c2)cnn1C ZINC000230156688 387856562 /nfs/dbraw/zinc/85/65/62/387856562.db2.gz HCLQTLRYOXXBNW-UHFFFAOYSA-N 1 0 247.346 1.796 40 0 BDABRO CC(C)Cn1cc(C[NH2+]CCN(C)C)cn1 ZINC000256053147 387860515 /nfs/dbraw/zinc/86/05/15/387860515.db2.gz QFNSCANVVGQOOZ-UHFFFAOYSA-N 1 0 224.352 1.190 40 0 BDABRO Cn1cccc1C[NH2+]Cc1cnn(CCF)c1 ZINC000256053800 387863007 /nfs/dbraw/zinc/86/30/07/387863007.db2.gz SXGMGEUJTAPXHP-UHFFFAOYSA-N 1 0 236.294 1.481 40 0 BDABRO CCCn1cc(C[NH2+]CCN(C)C)c(C)n1 ZINC000256054713 387863445 /nfs/dbraw/zinc/86/34/45/387863445.db2.gz XLXPVJDQIPOWLF-UHFFFAOYSA-N 1 0 224.352 1.253 40 0 BDABRO CCC1(CNC(=O)OC(C)(C)C)C[NH2+]C1 ZINC000238232301 387881060 /nfs/dbraw/zinc/88/10/60/387881060.db2.gz QORAHQDJGIGBKS-UHFFFAOYSA-N 1 0 214.309 1.511 40 0 BDABRO C[C@@H]1[C@@H]2C[NH2+]C[C@@H](C2)CN1C(=O)OC(C)(C)C ZINC000216533888 388356761 /nfs/dbraw/zinc/35/67/61/388356761.db2.gz CSHNBDVNMQPTLV-MXWKQRLJSA-N 1 0 240.347 1.851 40 0 BDABRO CCOCCO[C@@H]1C[NH2+][C@H](C(C)C)C1 ZINC000217862260 388382929 /nfs/dbraw/zinc/38/29/29/388382929.db2.gz YDWZNYYNSUAFFI-QWRGUYRKSA-N 1 0 201.310 1.426 40 0 BDABRO CCCC[C@@H]1C[C@@H](OCCOCC)C[NH2+]1 ZINC000217862057 388383153 /nfs/dbraw/zinc/38/31/53/388383153.db2.gz RYGWORIXCFPDHY-VXGBXAGGSA-N 1 0 215.337 1.960 40 0 BDABRO CS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@H]1c1cccc(Cl)c1 ZINC000242687462 388400924 /nfs/dbraw/zinc/40/09/24/388400924.db2.gz UGVPEMRDHWBYLJ-BBBLOLIVSA-N 1 0 245.731 1.178 40 0 BDABRO FC(F)(F)c1nn(CC2CC2)c2c1C[NH2+]CC2 ZINC000217525801 388570680 /nfs/dbraw/zinc/57/06/80/388570680.db2.gz GYESJVWSQGHLHN-UHFFFAOYSA-N 1 0 245.248 1.958 40 0 BDABRO Cc1ccncc1N(C)C[C@@H]1CCC[NH2+]1 ZINC000242400333 388580817 /nfs/dbraw/zinc/58/08/17/388580817.db2.gz AUPAGPRASRBFRG-NSHDSACASA-N 1 0 205.305 1.578 40 0 BDABRO CCOC[C@@H]1C[NH2+]Cc2cnn(CC)c21 ZINC000306144720 388629692 /nfs/dbraw/zinc/62/96/92/388629692.db2.gz ZMYZAKVSHOKPJJ-JTQLQIEISA-N 1 0 209.293 1.126 40 0 BDABRO Cc1ccc(CN2CCC[NH2+]CC2)cn1 ZINC000062076105 388649631 /nfs/dbraw/zinc/64/96/31/388649631.db2.gz YYGFTZXIYHOPJB-UHFFFAOYSA-N 1 0 205.305 1.185 40 0 BDABRO CCO[C@@H](C[NH3+])c1cc(OC)ccc1OC ZINC000062711872 388655221 /nfs/dbraw/zinc/65/52/21/388655221.db2.gz OJQIMKNDQFHTSQ-LBPRGKRZSA-N 1 0 225.288 1.740 40 0 BDABRO CC(C)c1nnc(CC[NH+]2CCCC2)[nH]1 ZINC000062719452 388656428 /nfs/dbraw/zinc/65/64/28/388656428.db2.gz ORNSDRSBCDEZHI-UHFFFAOYSA-N 1 0 208.309 1.566 40 0 BDABRO Cc1ccc(C[NH2+]C[C@@H]2CCCO2)n1C ZINC000226018929 388696515 /nfs/dbraw/zinc/69/65/15/388696515.db2.gz AMWILLIDXZFEEK-LBPRGKRZSA-N 1 0 208.305 1.602 40 0 BDABRO CC[NH+]1CCN(c2ccc(C(=O)OC)cn2)CC1 ZINC000000012602 132312393 /nfs/dbraw/zinc/31/23/93/132312393.db2.gz PWLPXAALAIXFHZ-UHFFFAOYSA-N 1 0 249.314 1.010 40 0 BDABRO C[C@@H]1CN(c2ccccc2N)C[C@H](C)[NH2+]1 ZINC000008702426 132318856 /nfs/dbraw/zinc/31/88/56/132318856.db2.gz LWLNUWZFCRXDQC-AOOOYVTPSA-N 1 0 205.305 1.455 40 0 BDABRO C[C@@H]1C[N@H+](CCO)CCN1c1ccccc1 ZINC000031938337 132334591 /nfs/dbraw/zinc/33/45/91/132334591.db2.gz XUUWFNWHQSONHA-GFCCVEGCSA-N 1 0 220.316 1.189 40 0 in-vitro BDABRO COCCOc1cccc(N2CC[NH2+]CC2)c1 ZINC000043461386 132353010 /nfs/dbraw/zinc/35/30/10/132353010.db2.gz RTQPZPWCYWVQCL-UHFFFAOYSA-N 1 0 236.315 1.121 40 0 BDABRO O=C1COc2ccccc2N1C1CC[NH2+]CC1 ZINC000071477220 132392121 /nfs/dbraw/zinc/39/21/21/132392121.db2.gz YFRNKLUVBCZXMJ-UHFFFAOYSA-N 1 0 232.283 1.164 40 0 BDABRO CN1c2ccc(F)cc2C(=O)NC12CC[NH2+]CC2 ZINC000072221249 132396091 /nfs/dbraw/zinc/39/60/91/132396091.db2.gz XXHBRIYCIJOLMC-UHFFFAOYSA-N 1 0 249.289 1.085 40 0 BDABRO [NH3+]CCc1cc2c3c(c1)CCCN3CCC2 ZINC000005160604 132450332 /nfs/dbraw/zinc/45/03/32/132450332.db2.gz NIFACYIMVREXSO-UHFFFAOYSA-N 1 0 216.328 1.887 40 0 BDABRO CC(C)CC[NH2+]Cc1cnn(CCF)c1 ZINC000256049692 166861702 /nfs/dbraw/zinc/86/17/02/166861702.db2.gz AZSYRDMLDNJRED-UHFFFAOYSA-N 1 0 213.300 1.988 40 0 BDABRO CC(C)OC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000026897419 167260686 /nfs/dbraw/zinc/26/06/86/167260686.db2.gz QLYVFSDZZWKAMM-ZDUSSCGKSA-N 1 0 223.316 1.562 40 0 BDABRO CC(C)Oc1ccc([C@H](O)CC[NH3+])cc1 ZINC000071511840 167300360 /nfs/dbraw/zinc/30/03/60/167300360.db2.gz DRHIMPKCYKDBFR-GFCCVEGCSA-N 1 0 209.289 1.856 40 0 BDABRO CC(C)(C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000015446209 166525285 /nfs/dbraw/zinc/52/52/85/166525285.db2.gz HRNKSMLMHBPKNE-JTQLQIEISA-N 1 0 212.337 1.620 40 0 BDABRO CC(C)[N@@H+]1C[C@@H]2Cc3nc(N(C)C)ncc3[C@H]2C1 ZINC000306125606 167031881 /nfs/dbraw/zinc/03/18/81/167031881.db2.gz CVLLHMFDFRGLRS-JQWIXIFHSA-N 1 0 246.358 1.523 40 0 BDABRO CC(C)NC(=O)COc1cccc(C[NH3+])c1 ZINC000022149508 167062495 /nfs/dbraw/zinc/06/24/95/167062495.db2.gz KTDMXJJZGRGEQE-UHFFFAOYSA-N 1 0 222.288 1.049 40 0 BDABRO CCOc1cccc2c1NC[C@@H](C[NH3+])[C@@H]2O ZINC000217537925 411181951 /nfs/dbraw/zinc/18/19/51/411181951.db2.gz XRPXBHTXPHARQS-PELKAZGASA-N 1 0 222.288 1.119 40 0 BDABRO CC1CCN(C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000058405669 168176754 /nfs/dbraw/zinc/17/67/54/168176754.db2.gz RKFJLKUHQKPBKA-LBPRGKRZSA-N 1 0 224.348 1.587 40 0 BDABRO CC[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC000001703995 170024892 /nfs/dbraw/zinc/02/48/92/170024892.db2.gz RSIQYFKRVPDZOJ-UHFFFAOYSA-N 1 0 205.257 1.793 40 0 BDABRO CC[NH2+]CC1(COC2CCOCC2)CC1 ZINC000217796480 170110870 /nfs/dbraw/zinc/11/08/70/170110870.db2.gz XSYWKWXFHCDVFR-UHFFFAOYSA-N 1 0 213.321 1.572 40 0 BDABRO CCOC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000217479160 170188145 /nfs/dbraw/zinc/18/81/45/170188145.db2.gz LYQSWLZVFXJKKM-UHFFFAOYSA-N 1 0 207.220 1.184 40 0 BDABRO CCOC(=O)C(F)(F)[C@H]1CCC[NH2+]C1 ZINC000217481517 170188196 /nfs/dbraw/zinc/18/81/96/170188196.db2.gz KBJDIDKGPLYXQU-ZETCQYMHSA-N 1 0 207.220 1.184 40 0 BDABRO CCOC(=O)C[C@@H]([NH2+]C)c1ccccc1 ZINC000002511912 170231381 /nfs/dbraw/zinc/23/13/81/170231381.db2.gz DBMDBUGTXCKNCV-LLVKDONJSA-N 1 0 207.273 1.900 40 0 BDABRO CCOC(=O)[C@H](CC[NH+](CC)CC)C(C)=O ZINC000005848172 170272529 /nfs/dbraw/zinc/27/25/29/170272529.db2.gz ZQQHBSPNJHQAKU-LLVKDONJSA-N 1 0 229.320 1.487 40 0 BDABRO CCOC(=O)c1c(N)sc2c1C[NH2+][C@H](C)C2 ZINC000002392243 170289365 /nfs/dbraw/zinc/28/93/65/170289365.db2.gz VCOXWAFMALJNIA-ZCFIWIBFSA-N 1 0 240.328 1.541 40 0 BDABRO CCOCCC[NH2+]Cc1cc(C)nn1C ZINC000084243719 170380944 /nfs/dbraw/zinc/38/09/44/170380944.db2.gz ONLKPIKNBRGEBT-UHFFFAOYSA-N 1 0 211.309 1.245 40 0 BDABRO CCS(=O)(=O)C[C@H](C[NH3+])C1CCCCC1 ZINC000217770783 170611451 /nfs/dbraw/zinc/61/14/51/170611451.db2.gz BNOSEPPAWZCHDJ-NSHDSACASA-N 1 0 233.377 1.576 40 0 BDABRO CC[C@@H]([C@@H]([NH3+])c1ccccc1C)S(C)(=O)=O ZINC000096524901 170951504 /nfs/dbraw/zinc/95/15/04/170951504.db2.gz QZDWTXYMANREPD-RYUDHWBXSA-N 1 0 241.356 1.818 40 0 BDABRO CC[C@H]([NH3+])COCc1ccccc1OC ZINC000074530252 171485451 /nfs/dbraw/zinc/48/54/51/171485451.db2.gz IINZYKIHGSISKA-NSHDSACASA-N 1 0 209.289 1.949 40 0 BDABRO CCc1noc([C@H]2C[NH2+]CC23CCCC3)n1 ZINC000328579678 172091888 /nfs/dbraw/zinc/09/18/88/172091888.db2.gz VXGRGIXAQQIGQE-SECBINFHSA-N 1 0 221.304 1.879 40 0 BDABRO CCn1cc(C[NH2+]CCCOC(C)C)cn1 ZINC000112095465 172169966 /nfs/dbraw/zinc/16/99/66/172169966.db2.gz GHEXCFWHQXBFJD-UHFFFAOYSA-N 1 0 225.336 1.808 40 0 BDABRO CCn1cc(C[NH2+]Cc2c(C)cnn2C)c(C)n1 ZINC000256053803 172171787 /nfs/dbraw/zinc/17/17/87/172171787.db2.gz SXLNABFXQZEPMM-UHFFFAOYSA-N 1 0 247.346 1.543 40 0 BDABRO CCn1cc(C[NH2+]Cc2cccc(O)c2)cn1 ZINC000020352533 172172099 /nfs/dbraw/zinc/17/20/99/172172099.db2.gz QTIYGHFHTCZFRG-UHFFFAOYSA-N 1 0 231.299 1.898 40 0 BDABRO CCn1nc(-c2csc(C[NH3+])n2)cc1C ZINC000096528248 172240587 /nfs/dbraw/zinc/24/05/87/172240587.db2.gz ZOVPHGQVVMVLMG-UHFFFAOYSA-N 1 0 222.317 1.794 40 0 BDABRO CCn1nc(C)c(CN(C)C[C@H](C)[NH3+])c1C ZINC000096523917 172244876 /nfs/dbraw/zinc/24/48/76/172244876.db2.gz ZIYBZYQXEVMPSZ-VIFPVBQESA-N 1 0 224.352 1.299 40 0 BDABRO CCn1nc(C)c(CNCC[NH+](C)C)c1F ZINC000256054936 172244910 /nfs/dbraw/zinc/24/49/10/172244910.db2.gz YKTTWBMKJKDOTG-UHFFFAOYSA-N 1 0 228.315 1.002 40 0 BDABRO CCn1ncc(C[NH2+]C[C@@H]2CCCO2)c1F ZINC000256049877 172255185 /nfs/dbraw/zinc/25/51/85/172255185.db2.gz BVODIIGEOWPPNL-JTQLQIEISA-N 1 0 227.283 1.311 40 0 BDABRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC000096251713 172382751 /nfs/dbraw/zinc/38/27/51/172382751.db2.gz RVMYGRGQTVKYDK-AVGNSLFASA-N 1 0 245.326 1.316 40 0 BDABRO C[NH+](C)CCNC(=O)Cc1ccc(F)cc1 ZINC000047653182 172458787 /nfs/dbraw/zinc/45/87/87/172458787.db2.gz CRKHNYITPXIUNY-UHFFFAOYSA-N 1 0 224.279 1.046 40 0 BDABRO C[NH+](C)CCNC(=O)CCc1ccccc1F ZINC000047339986 172459244 /nfs/dbraw/zinc/45/92/44/172459244.db2.gz SPMMPIHMZRFWFO-UHFFFAOYSA-N 1 0 238.306 1.436 40 0 BDABRO CN1C(=O)C2(CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000096244736 173001571 /nfs/dbraw/zinc/00/15/71/173001571.db2.gz FVVATKWJZKMVAI-ZDUSSCGKSA-N 1 0 244.338 1.912 40 0 BDABRO C[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000003599501 173039066 /nfs/dbraw/zinc/03/90/66/173039066.db2.gz LJZSMGYSNXRFQB-NSHDSACASA-N 1 0 210.321 1.341 40 0 BDABRO C[N@@H+]1CCC[C@H](C(=O)NCc2ccccn2)C1 ZINC000082308277 173039714 /nfs/dbraw/zinc/03/97/14/173039714.db2.gz IZSRBHYFXFOCTB-NSHDSACASA-N 1 0 233.315 1.040 40 0 BDABRO C[N@@H+]1CCC[C@H]1c1ccnc2nccn21 ZINC000257325993 173059295 /nfs/dbraw/zinc/05/92/95/173059295.db2.gz WVHZAVDZASMQMQ-VIFPVBQESA-N 1 0 202.261 1.496 40 0 BDABRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC000096081392 173160731 /nfs/dbraw/zinc/16/07/31/173160731.db2.gz AKZPEWWJVXMIPN-WDEREUQCSA-N 1 0 234.299 1.303 40 0 BDABRO CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1cccc(N)c1 ZINC000217663629 173195874 /nfs/dbraw/zinc/19/58/74/173195874.db2.gz DANXGDIJIYQMCE-OLZOCXBDSA-N 1 0 247.342 1.002 40 0 BDABRO C[N@H+]1[C@@H]2CC[C@H]1CC(n1cc(N)cn1)C2 ZINC000096530078 173205992 /nfs/dbraw/zinc/20/59/92/173205992.db2.gz OUIKAOYFYCUBTM-ZACCUICWSA-N 1 0 206.293 1.263 40 0 BDABRO CNc1nc(NCc2ccco2)cc(C2CC2)[nH+]1 ZINC000328981157 173208466 /nfs/dbraw/zinc/20/84/66/173208466.db2.gz GRHYTJGJZVUTPM-UHFFFAOYSA-N 1 0 244.298 1.445 40 0 BDABRO C[NH2+]CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000019474172 173333941 /nfs/dbraw/zinc/33/39/41/173333941.db2.gz NVNZGABGGMDUKH-UHFFFAOYSA-N 1 0 212.680 1.806 40 0 BDABRO C[NH2+]CC(=O)Nc1ccc(C(C)C)cc1 ZINC000019425544 173333332 /nfs/dbraw/zinc/33/33/32/173333332.db2.gz YVGALEQCLUKOLY-UHFFFAOYSA-N 1 0 206.289 1.968 40 0 BDABRO COCCC[NH2+]Cc1cc(C)n(C)c1C ZINC000052789732 174246801 /nfs/dbraw/zinc/24/68/01/174246801.db2.gz XYMLOTVHEBVIMG-UHFFFAOYSA-N 1 0 210.321 1.768 40 0 BDABRO COCC[NH+]1CCC(c2ccccn2)CC1 ZINC000019695483 174304874 /nfs/dbraw/zinc/30/48/74/174304874.db2.gz NOPNZRPMVOLFHB-UHFFFAOYSA-N 1 0 220.316 1.907 40 0 BDABRO COc1cc(Cl)ccc1CN1CC[C@@H]([NH3+])C1 ZINC000096523484 174990843 /nfs/dbraw/zinc/99/08/43/174990843.db2.gz MOFCVFDATAQPJX-LLVKDONJSA-N 1 0 240.734 1.882 40 0 BDABRO COc1cc2c(cc1OC)C[C@H](C)[N+](C)=C2 ZINC000001665748 175024444 /nfs/dbraw/zinc/02/44/44/175024444.db2.gz MKUHMVLZKDSPDT-VIFPVBQESA-N 1 0 220.292 1.710 40 0 BDABRO COc1cc2cc[n+](C)cc2cc1OC ZINC000001659873 175026278 /nfs/dbraw/zinc/02/62/78/175026278.db2.gz XDMYYXQYGCBVKR-UHFFFAOYSA-N 1 0 204.249 1.682 40 0 BDABRO COc1ccc(C(N)=[NH2+])cc1Br ZINC000001437891 175052252 /nfs/dbraw/zinc/05/22/52/175052252.db2.gz WEXWXKAEPIJEHC-UHFFFAOYSA-N 1 0 229.077 1.742 40 0 BDABRO COc1ccc(C(N)=[NH2+])cc1C(F)(F)F ZINC000116938193 175052332 /nfs/dbraw/zinc/05/23/32/175052332.db2.gz HHHWBUPJOUTYES-UHFFFAOYSA-N 1 0 218.178 1.998 40 0 BDABRO COc1ccc(CCNC2=C[NH2+]CC2)cc1OC ZINC000001584645 175091291 /nfs/dbraw/zinc/09/12/91/175091291.db2.gz LIGKBCZGHVWVKD-UHFFFAOYSA-N 1 0 248.326 1.671 40 0 BDABRO COc1ccc(CN2CCC[C@H]([NH3+])C2)cn1 ZINC000040434185 175099511 /nfs/dbraw/zinc/09/95/11/175099511.db2.gz JVQSLAFBFZSEGO-NSHDSACASA-N 1 0 221.304 1.013 40 0 BDABRO COc1ccc(CSC(N)=[NH2+])cc1OC ZINC000004794959 175114212 /nfs/dbraw/zinc/11/42/12/175114212.db2.gz BTSRQHAVQNZPKN-UHFFFAOYSA-N 1 0 226.301 1.830 40 0 BDABRO COc1ccc(F)c([C@H]2NC(=O)CC[C@H]2[NH3+])c1 ZINC000019551255 175126318 /nfs/dbraw/zinc/12/63/18/175126318.db2.gz GNRWIYIZHULJGO-ZYHUDNBSSA-N 1 0 238.262 1.113 40 0 BDABRO COc1ccc([C@@H]2CN(C)C[C@H]2[NH3+])c(OC)c1 ZINC000082331248 175183812 /nfs/dbraw/zinc/18/38/12/175183812.db2.gz TUJBJQKETRTNLU-NWDGAFQWSA-N 1 0 236.315 1.060 40 0 BDABRO COc1ccc([C@@H]2C[C@@H]2C[NH3+])c(OC)c1 ZINC000041215841 175184209 /nfs/dbraw/zinc/18/42/09/175184209.db2.gz RPNVHDCLEYPKNI-LDYMZIIASA-N 1 0 207.273 1.766 40 0 BDABRO COc1ccc([C@@H]2C[C@H]2C[NH3+])c(OC)c1 ZINC000041215844 175184984 /nfs/dbraw/zinc/18/49/84/175184984.db2.gz RPNVHDCLEYPKNI-GZMMTYOYSA-N 1 0 207.273 1.766 40 0 BDABRO COc1cccc(CC[NH2+]Cc2ccn(C)n2)c1 ZINC000218113127 175252919 /nfs/dbraw/zinc/25/29/19/175252919.db2.gz MYFBALJBWMHQHO-UHFFFAOYSA-N 1 0 245.326 1.761 40 0 BDABRO COc1cccc(C[NH2+]Cc2ccnn2C)c1 ZINC000002536108 175266157 /nfs/dbraw/zinc/26/61/57/175266157.db2.gz PJWYPAKKUKRJNS-UHFFFAOYSA-N 1 0 231.299 1.719 40 0 BDABRO COc1cccc(NC[C@@H]2COCC[NH2+]2)c1 ZINC000216592608 175279001 /nfs/dbraw/zinc/27/90/01/175279001.db2.gz GVLSRAGMPPEWBL-LLVKDONJSA-N 1 0 222.288 1.096 40 0 BDABRO COc1ccccc1CCCN1CCC[NH2+]CC1 ZINC000041301834 175322240 /nfs/dbraw/zinc/32/22/40/175322240.db2.gz MOGFSSVMANUHQG-UHFFFAOYSA-N 1 0 248.370 1.923 40 0 BDABRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000100191356 176027463 /nfs/dbraw/zinc/02/74/63/176027463.db2.gz CCCKFMGXAZWYAU-NWDGAFQWSA-N 1 0 220.316 1.847 40 0 BDABRO C[C@@H](c1cnccn1)[NH+]1CCC(CO)CC1 ZINC000072203847 176036173 /nfs/dbraw/zinc/03/61/73/176036173.db2.gz QRLONDWFCDODGS-JTQLQIEISA-N 1 0 221.304 1.242 40 0 BDABRO C[C@H]([NH3+])c1ncc(Br)cn1 ZINC000070947609 176781359 /nfs/dbraw/zinc/78/13/59/176781359.db2.gz ZUZVRVFAUSSLNI-BYPYZUCNSA-N 1 0 202.055 1.259 40 0 BDABRO C[C@H](c1nccs1)N(C)[C@H]1CCC[NH2+]C1 ZINC000095068181 177054350 /nfs/dbraw/zinc/05/43/50/177054350.db2.gz HLWZWVHOTIFKLT-ZJUUUORDSA-N 1 0 225.361 1.888 40 0 BDABRO C[C@H]1CN(Cc2cccc(F)c2)CC[NH2+]1 ZINC000068692344 177264919 /nfs/dbraw/zinc/26/49/19/177264919.db2.gz OKQGIEPNUDZALF-JTQLQIEISA-N 1 0 208.280 1.619 40 0 BDABRO C[C@H]1CN(c2nc3ccccc3o2)CC[NH2+]1 ZINC000052783539 177278409 /nfs/dbraw/zinc/27/84/09/177278409.db2.gz FVBZBZHIBVATEE-VIFPVBQESA-N 1 0 217.272 1.626 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccccc1 ZINC000039018566 177284213 /nfs/dbraw/zinc/28/42/13/177284213.db2.gz SXAIXGMQDJUBDK-JTQLQIEISA-N 1 0 204.273 1.121 40 0 BDABRO C[C@H]1CSC=[N+]1C[C@H](O)c1ccccc1 ZINC000001707344 177304273 /nfs/dbraw/zinc/30/42/73/177304273.db2.gz WWIJZDOVCPQYKX-JQWIXIFHSA-N 1 0 222.333 1.896 40 0 BDABRO C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+]C2CC2)C1 ZINC000037390163 177310242 /nfs/dbraw/zinc/31/02/42/177310242.db2.gz VRDNUIRHGMZADW-AOOOYVTPSA-N 1 0 210.321 1.243 40 0 BDABRO C[C@H]1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2O1 ZINC000096062528 177352573 /nfs/dbraw/zinc/35/25/73/177352573.db2.gz GFTHHEVXCDGDDA-WCFLWFBJSA-N 1 0 235.331 1.419 40 0 BDABRO C[C@H]1C[C@H](C)CN(C(=O)C[NH2+]C2CC2)C1 ZINC000037390165 177357810 /nfs/dbraw/zinc/35/78/10/177357810.db2.gz VRDNUIRHGMZADW-UWVGGRQHSA-N 1 0 210.321 1.243 40 0 BDABRO C[C@H]([NH3+])[C@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C ZINC000108361372 262722581 /nfs/dbraw/zinc/72/25/81/262722581.db2.gz CABIRYRCSXLJTD-DJLDLDEBSA-N 1 0 232.299 1.681 40 0 BDABRO O=C1N(Cc2ccccc2)C[C@@]12CCC[NH2+]2 ZINC000214468787 487962492 /nfs/dbraw/zinc/96/24/92/487962492.db2.gz JNKKPGSCKHEUKI-ZDUSSCGKSA-N 1 0 216.284 1.151 40 0 BDABRO Clc1cnc(NC2CC[NH2+]CC2)nc1 ZINC000072202975 487995080 /nfs/dbraw/zinc/99/50/80/487995080.db2.gz SZZIJPLJDCTNAC-UHFFFAOYSA-N 1 0 212.684 1.294 40 0 BDABRO NNc1nc(Sc2ccccc2)cc[nH+]1 ZINC000087890154 491093109 /nfs/dbraw/zinc/09/31/09/491093109.db2.gz OWFUUUIPVIIIMK-UHFFFAOYSA-N 1 0 218.285 1.913 40 0 BDABRO CC[NH+](CC)CCCNCc1cnn(C)c1 ZINC000020075164 520621937 /nfs/dbraw/zinc/62/19/37/520621937.db2.gz FEOBJONVJXTWSV-UHFFFAOYSA-N 1 0 224.352 1.242 40 0 BDABRO CCn1cc(C[NH2+]Cc2cnn(C)c2C)c(C)n1 ZINC000020349874 523383527 /nfs/dbraw/zinc/38/35/27/523383527.db2.gz CWLFQHJHSLQDNU-UHFFFAOYSA-N 1 0 247.346 1.543 40 0 BDABRO CCn1nccc1C[NH2+]Cc1cnn(C)c1C ZINC000020349877 523729212 /nfs/dbraw/zinc/72/92/12/523729212.db2.gz ZYNQNRKONWNKDY-UHFFFAOYSA-N 1 0 233.319 1.235 40 0 BDABRO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2C)cc1 ZINC000225775986 523962636 /nfs/dbraw/zinc/96/26/36/523962636.db2.gz PNWPOVHLVNJJCM-KCJUWKMLSA-N 1 0 204.273 1.311 40 0 BDABRO OCCc1cc([C@H]2CC[N@H+](CC3CC3)C2)[nH]n1 ZINC000072383320 527573618 /nfs/dbraw/zinc/57/36/18/527573618.db2.gz CJTJRNKWGCEBRH-NSHDSACASA-N 1 0 235.331 1.144 40 0 BDABRO OC[C@@H]1C[NH2+]CCC1=C1C=CC(F)C=C1 ZINC001560407510 991467637 /nfs/dbraw/zinc/46/76/37/991467637.db2.gz JJEXRBMUDWQHPL-JTQLQIEISA-N 1 0 208.256 1.512 40 0 BDABRO CC[NH+]1CCC(c2cc(=O)[nH]c(C)n2)CC1 ZINC000072361069 343979404 /nfs/dbraw/zinc/97/94/04/343979404.db2.gz GZROUVDZVKBFHB-UHFFFAOYSA-N 1 0 221.304 1.690 40 0 BDABRO CC(C)C[N@@H+]1CC[C@H](c2[nH]nc3nccnc32)C1 ZINC000072361124 343980110 /nfs/dbraw/zinc/98/01/10/343980110.db2.gz OLZITVLWKIMNMW-JTQLQIEISA-N 1 0 245.330 1.798 40 0 BDABRO Cc1cc(C[NH2+]Cc2cnn(C)c2C)n(C)n1 ZINC000226383545 178025869 /nfs/dbraw/zinc/02/58/69/178025869.db2.gz GIOCTRFNZLTWJE-UHFFFAOYSA-N 1 0 233.319 1.060 40 0 BDABRO Fc1cccc(OC[C@H]2C[NH2+]CCO2)c1 ZINC000070649720 259314196 /nfs/dbraw/zinc/31/41/96/259314196.db2.gz HUFBSYCCTWFASD-LLVKDONJSA-N 1 0 211.236 1.193 40 0 BDABRO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)C[NH3+] ZINC000072207830 259315159 /nfs/dbraw/zinc/31/51/59/259315159.db2.gz CDFMLBYKFFGCGO-UWVGGRQHSA-N 1 0 244.335 1.096 40 0 BDABRO C[C@@H]([NH3+])[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000072208288 259315578 /nfs/dbraw/zinc/31/55/78/259315578.db2.gz MBRQITQWIPVHIS-ZYHUDNBSSA-N 1 0 220.316 1.596 40 0 BDABRO C[C@H]([NH3+])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000072208164 259315229 /nfs/dbraw/zinc/31/52/29/259315229.db2.gz XBDKHTVRZFOLSN-UWVGGRQHSA-N 1 0 206.289 1.999 40 0 BDABRO C[C@@H]([NH3+])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000072208162 259315259 /nfs/dbraw/zinc/31/52/59/259315259.db2.gz XBDKHTVRZFOLSN-VHSXEESVSA-N 1 0 206.289 1.999 40 0 BDABRO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](C)(O)C[NH3+] ZINC000072207876 259315284 /nfs/dbraw/zinc/31/52/84/259315284.db2.gz ILMUDZBRIUTWHX-BXKDBHETSA-N 1 0 246.351 1.245 40 0 BDABRO COC(=O)C1(c2cccs2)CC[NH+](C)CC1 ZINC000001577520 342704048 /nfs/dbraw/zinc/70/40/48/342704048.db2.gz OFPNVACGLZTVKF-UHFFFAOYSA-N 1 0 239.340 1.885 40 0 BDABRO CN(C)c1ncccc1[C@H]1CCC[N@@H+]1C ZINC000072212641 259317554 /nfs/dbraw/zinc/31/75/54/259317554.db2.gz FXBBKSOZPBZVQY-LLVKDONJSA-N 1 0 205.305 1.914 40 0 BDABRO CC[NH+]1CCN(c2ccc(CO)c(C)n2)CC1 ZINC000072224665 259321698 /nfs/dbraw/zinc/32/16/98/259321698.db2.gz PMEHWKSBYJQVDX-UHFFFAOYSA-N 1 0 235.331 1.024 40 0 BDABRO CC(C)c1cc(CN2CCC([NH3+])CC2)on1 ZINC000012398762 342851261 /nfs/dbraw/zinc/85/12/61/342851261.db2.gz BUIJNFHRMIBSOI-UHFFFAOYSA-N 1 0 223.320 1.721 40 0 BDABRO CCOc1ccc([C@@H]2C[C@@]2(C[NH3+])CO)cc1 ZINC000062713327 398302307 /nfs/dbraw/zinc/30/23/07/398302307.db2.gz PLJBQSGICFBIDR-QWHCGFSZSA-N 1 0 221.300 1.510 40 0 BDABRO c1cn2c(n1)CO[C@@H](C[NH2+]C1CCCC1)C2 ZINC000096296272 398317258 /nfs/dbraw/zinc/31/72/58/398317258.db2.gz FLUSGVXSMKOEJH-NSHDSACASA-N 1 0 221.304 1.314 40 0 biogenic,in-vitro BDABRO COC[C@@H]1C[N@H+](CC2CC2)Cc2ncn(C)c21 ZINC000096060198 398312614 /nfs/dbraw/zinc/31/26/14/398312614.db2.gz BNPNIFUGXLJJOS-NSHDSACASA-N 1 0 235.331 1.376 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1cccs1 ZINC000217670840 398322654 /nfs/dbraw/zinc/32/26/54/398322654.db2.gz NSVKEPSAPPWVRX-DTWKUNHWSA-N 1 0 225.313 1.566 40 0 BDABRO CCCC[C@@H](CN1CCOCC1)OCC ZINC000019202461 342943426 /nfs/dbraw/zinc/94/34/26/342943426.db2.gz KIQIWKRPGWOZPT-LBPRGKRZSA-N 1 0 215.337 1.914 40 0 BDABRO Cc1ccc2c(c1)C(=O)N[C@@H](C[NH+](C)C)CO2 ZINC000019218731 342944174 /nfs/dbraw/zinc/94/41/74/342944174.db2.gz WCXYPVFDTJLISU-JTQLQIEISA-N 1 0 234.299 1.047 40 0 BDABRO CCOc1ccc(C(N)=[NH2+])cc1OCC ZINC000020177273 342974376 /nfs/dbraw/zinc/97/43/76/342974376.db2.gz RTBQHMGPIWAPOH-UHFFFAOYSA-N 1 0 208.261 1.768 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000044135921 349732686 /nfs/dbraw/zinc/73/26/86/349732686.db2.gz RZEZOADMYHLFJC-VXGBXAGGSA-N 1 0 237.274 1.692 40 0 BDABRO Clc1cc(CC2C[NH2+]C2)cc2c1OCCO2 ZINC000022158786 343042782 /nfs/dbraw/zinc/04/27/82/343042782.db2.gz VGUDVDDHQADKAH-UHFFFAOYSA-N 1 0 239.702 1.873 40 0 in-vitro BDABRO CC(C)(C)OC(=O)c1cncc(C[NH3+])c1 ZINC000021984986 343032047 /nfs/dbraw/zinc/03/20/47/343032047.db2.gz RMLLKHGSNWXKGB-UHFFFAOYSA-N 1 0 208.261 1.496 40 0 BDABRO CCOc1ccccc1C[NH2+]CCN(C)C ZINC000022075425 343039420 /nfs/dbraw/zinc/03/94/20/343039420.db2.gz RQCVDJIMSMBDSQ-UHFFFAOYSA-N 1 0 222.332 1.737 40 0 BDABRO C[C@H](O)C[NH2+]CCNCc1cccc(Cl)c1 ZINC000022074867 136278121 /nfs/dbraw/zinc/27/81/21/136278121.db2.gz HAJZPFSRNPYYRZ-JTQLQIEISA-N 1 0 242.750 1.400 40 0 BDABRO COC(=O)[C@@H](C)C[NH2+]Cc1ccc(OC)cc1 ZINC000035133569 343286261 /nfs/dbraw/zinc/28/62/61/343286261.db2.gz XAVASGPMJVJXIT-JTQLQIEISA-N 1 0 237.299 1.594 40 0 BDABRO COc1ccc(CN(C(=O)C[NH3+])C2CC2)cc1 ZINC000032089743 343290907 /nfs/dbraw/zinc/29/09/07/343290907.db2.gz ICYCVJHMNRLLDU-UHFFFAOYSA-N 1 0 234.299 1.145 40 0 BDABRO Fc1cccc(CNC2CC[NH2+]CC2)c1 ZINC000038040800 343367145 /nfs/dbraw/zinc/36/71/45/343367145.db2.gz OUFUHQIXAQAOGR-UHFFFAOYSA-N 1 0 208.280 1.667 40 0 BDABRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C[NH3+] ZINC000084237648 343585069 /nfs/dbraw/zinc/58/50/69/343585069.db2.gz JXSABJPGAQYNHM-UWVGGRQHSA-N 1 0 228.336 1.838 40 0 BDABRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C[NH3+] ZINC000084237645 343585457 /nfs/dbraw/zinc/58/54/57/343585457.db2.gz JXSABJPGAQYNHM-ZJUUUORDSA-N 1 0 228.336 1.838 40 0 BDABRO CC[C@@H]([C@H]([NH3+])C(C)(C)C)S(=O)(=O)CC ZINC000096524986 343759429 /nfs/dbraw/zinc/75/94/29/343759429.db2.gz LTGLMVZZOWMPKI-IUCAKERBSA-N 1 0 221.366 1.573 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)o1 ZINC000229210090 343793466 /nfs/dbraw/zinc/79/34/66/343793466.db2.gz NURKQWMARMRHQE-BDAKNGLRSA-N 1 0 209.245 1.064 40 0 BDABRO CCOc1ccccc1[C@H]1C[NH2+]C[C@H]1N ZINC000396828551 343810964 /nfs/dbraw/zinc/81/09/64/343810964.db2.gz OXGKTTPGTUEUOF-GHMZBOCLSA-N 1 0 206.289 1.099 40 0 BDABRO C[NH2+]CCCc1cnn(C[C@H]2CCCO2)c1 ZINC000575623316 343875706 /nfs/dbraw/zinc/87/57/06/343875706.db2.gz IFCXLYKLGKRCLC-GFCCVEGCSA-N 1 0 223.320 1.214 40 0 BDABRO C[NH2+]CCCc1cnn(C[C@@H]2CCCO2)c1 ZINC000575623317 343875826 /nfs/dbraw/zinc/87/58/26/343875826.db2.gz IFCXLYKLGKRCLC-LBPRGKRZSA-N 1 0 223.320 1.214 40 0 BDABRO C[C@H](CC[NH3+])n1nc(C2CC2)ccc1=O ZINC000575622691 343877689 /nfs/dbraw/zinc/87/76/89/343877689.db2.gz QBWHAOWWQGHRRS-MRVPVSSYSA-N 1 0 207.277 1.031 40 0 BDABRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC000585107650 344134708 /nfs/dbraw/zinc/13/47/08/344134708.db2.gz FVJUDDRDRDTKJG-WCQYABFASA-N 1 0 248.301 1.602 40 0 BDABRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC000585107649 344135089 /nfs/dbraw/zinc/13/50/89/344135089.db2.gz FVJUDDRDRDTKJG-DGCLKSJQSA-N 1 0 248.301 1.602 40 0 BDABRO CC(C)C[N@H+](C(C)C)[C@@H]1CNCC[C@]1(C)O ZINC000300919541 537869189 /nfs/dbraw/zinc/86/91/89/537869189.db2.gz UBSCCVCQHXEPTB-OLZOCXBDSA-N 1 0 228.380 1.466 40 0 BDABRO Cc1cc(-c2ccccc2)n[nH+]c1NN ZINC000033648073 344890430 /nfs/dbraw/zinc/89/04/30/344890430.db2.gz OWOUMAVPBJMBJB-UHFFFAOYSA-N 1 0 200.245 1.738 40 0 BDABRO Cc1ncc(CO)c(C[NH2+]C(C)C)c1O ZINC000159709759 345491619 /nfs/dbraw/zinc/49/16/19/345491619.db2.gz XFSMTOFQSPGAOZ-UHFFFAOYSA-N 1 0 210.277 1.086 40 0 BDABRO Cc1ccc([C@H]2[C@@H](S(C)(=O)=O)[C@@H]2C[NH3+])cc1 ZINC000218250318 178880118 /nfs/dbraw/zinc/88/01/18/178880118.db2.gz HMWLFUBGCFWOGW-UTUOFQBUSA-N 1 0 239.340 1.080 40 0 BDABRO Cc1ccc2c(c1)[C@]1(CC2)COCC[NH2+]1 ZINC000306145754 178958295 /nfs/dbraw/zinc/95/82/95/178958295.db2.gz PEMFIZIPRCZCMX-ZDUSSCGKSA-N 1 0 203.285 1.756 40 0 BDABRO O=C(C[NH+]1CCCCCC1)NC[C@H]1CCCO1 ZINC000004401571 346250261 /nfs/dbraw/zinc/25/02/61/346250261.db2.gz NCOSXFCLEZAKOB-GFCCVEGCSA-N 1 0 240.347 1.158 40 0 BDABRO CC[NH+](CC)CCSc1ccnc(N)n1 ZINC000001608583 346459683 /nfs/dbraw/zinc/45/96/83/346459683.db2.gz HQIDQANTBOKQAW-UHFFFAOYSA-N 1 0 226.349 1.493 40 0 BDABRO Cc1cccc(NC[C@H](CO)[C@@H]2CCOC2)[nH+]1 ZINC000281062033 179148802 /nfs/dbraw/zinc/14/88/02/179148802.db2.gz SZFIPFLPCVOFIV-VXGBXAGGSA-N 1 0 236.315 1.447 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H]([NH3+])C[C@H]2C1 ZINC000250586923 362810838 /nfs/dbraw/zinc/81/08/38/362810838.db2.gz HGCLQZXASSWTRJ-VWYCJHECSA-N 1 0 240.347 1.981 40 0 BDABRO Cc1nc(C2CC[NH+](C)CC2)cc(N(C)C)n1 ZINC000205673727 347453298 /nfs/dbraw/zinc/45/32/98/347453298.db2.gz HJKQSGKPYNMHSE-UHFFFAOYSA-N 1 0 234.347 1.660 40 0 BDABRO O=C(c1ccc(F)c(F)c1)N1CCC[NH2+]CC1 ZINC000019271188 347515064 /nfs/dbraw/zinc/51/50/64/347515064.db2.gz PAKKDNAHVKTTDP-UHFFFAOYSA-N 1 0 240.253 1.400 40 0 BDABRO C[C@@H]([NH3+])C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000036827046 347873034 /nfs/dbraw/zinc/87/30/34/347873034.db2.gz YGQOSTJHICZNQM-VWYCJHECSA-N 1 0 210.321 1.515 40 0 BDABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc2c(c1)CCO2 ZINC000062713747 259405443 /nfs/dbraw/zinc/40/54/43/259405443.db2.gz CMOSMEMGDDNXRT-DGCLKSJQSA-N 1 0 219.284 1.046 40 0 BDABRO Cc1nc(N2CC[C@@H]([NH3+])C2)cc(C(F)(F)F)n1 ZINC000096516906 180003460 /nfs/dbraw/zinc/00/34/60/180003460.db2.gz MOORUWBJXLETSG-SSDOTTSWSA-N 1 0 246.236 1.341 40 0 BDABRO Cc1nc(NC(=O)CCC[NH3+])sc1C ZINC000033521066 180007309 /nfs/dbraw/zinc/00/73/09/180007309.db2.gz FKDUJLMLKSEUPD-UHFFFAOYSA-N 1 0 213.306 1.437 40 0 BDABRO Cc1nc([C@@H]2C[NH2+]CC23CCCC3)no1 ZINC000328579470 180045207 /nfs/dbraw/zinc/04/52/07/180045207.db2.gz KEBOLWRVYUICBQ-VIFPVBQESA-N 1 0 207.277 1.625 40 0 BDABRO Cc1nc2ncccc2c([C@H]2CCC[NH2+]C2)n1 ZINC000019240646 180057108 /nfs/dbraw/zinc/05/71/08/180057108.db2.gz CFCJZXNAIPEHKE-JTQLQIEISA-N 1 0 228.299 1.800 40 0 BDABRO Cc1nc2c(c(N3CCC[NH2+]CC3)n1)CCC2 ZINC000096516914 180067327 /nfs/dbraw/zinc/06/73/27/180067327.db2.gz PPUHJNUQKJMSHJ-UHFFFAOYSA-N 1 0 232.331 1.073 40 0 BDABRO CO[C@@H]1C[NH2+][C@@H](c2nc3ccccc3n2C)C1 ZINC000036895868 259412477 /nfs/dbraw/zinc/41/24/77/259412477.db2.gz IQGFSCUPFDVPHW-GXSJLCMTSA-N 1 0 231.299 1.623 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC000038539862 350318093 /nfs/dbraw/zinc/31/80/93/350318093.db2.gz JPAGPIYHOBHMCB-NSHDSACASA-N 1 0 206.289 1.315 40 0 BDABRO O=C(NC[C@@H]1CCC[NH2+]1)c1cccnc1Cl ZINC000079439209 187447113 /nfs/dbraw/zinc/44/71/13/187447113.db2.gz BXCGNNRVCIBXLJ-QMMMGPOBSA-N 1 0 239.706 1.217 40 0 BDABRO Cc1nn(C)cc1CN(C)C[C@H]([NH3+])CC(C)C ZINC000096523759 180373360 /nfs/dbraw/zinc/37/33/60/180373360.db2.gz NQJCNCXEKJAXKL-CYBMUJFWSA-N 1 0 238.379 1.534 40 0 BDABRO CC(C)Cn1cc2c(n1)C[C@@H]1CC[C@H]2[NH2+]1 ZINC000096510246 187456884 /nfs/dbraw/zinc/45/68/84/187456884.db2.gz MCZMGKTYHDDFMG-GXSJLCMTSA-N 1 0 205.305 1.888 40 0 BDABRO Clc1cccc(NC2CC[NH2+]CC2)n1 ZINC000045949561 180590896 /nfs/dbraw/zinc/59/08/96/180590896.db2.gz RYPZNMVOLXUIAB-UHFFFAOYSA-N 1 0 211.696 1.899 40 0 BDABRO Clc1ccnc(OC2CC[NH2+]CC2)n1 ZINC000040434282 180596563 /nfs/dbraw/zinc/59/65/63/180596563.db2.gz BKWLRKFDQHDUHC-UHFFFAOYSA-N 1 0 213.668 1.261 40 0 BDABRO CC(=O)C[C@H]1CCC[C@@H](CC(C)=O)[N@@H+]1C ZINC000001713153 188100434 /nfs/dbraw/zinc/10/04/34/188100434.db2.gz YAUAJQOAQPDXSN-TXEJJXNPSA-N 1 0 211.305 1.798 40 0 BDABRO Cc1ccnc(NC(=S)NCC[NH+](C)C)c1 ZINC000007143227 188103405 /nfs/dbraw/zinc/10/34/05/188103405.db2.gz HQRCEYVGAHALBL-UHFFFAOYSA-N 1 0 238.360 1.238 40 0 BDABRO OCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000020305884 188108435 /nfs/dbraw/zinc/10/84/35/188108435.db2.gz AGUOXKRMLQRRSM-UHFFFAOYSA-N 1 0 219.206 1.787 40 0 BDABRO CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H](C)c1ccccn1 ZINC000079421817 188117927 /nfs/dbraw/zinc/11/79/27/188117927.db2.gz RIGKYCULGKAMPQ-QWRGUYRKSA-N 1 0 235.331 1.727 40 0 BDABRO CC(C)[N@H+](CCO)[C@@H](C)c1cnccn1 ZINC000079422313 188118087 /nfs/dbraw/zinc/11/80/87/188118087.db2.gz OOSCOTNMXCVDNL-JTQLQIEISA-N 1 0 209.293 1.240 40 0 BDABRO CC(C)N(Cc1cnc(Cl)s1)C(=O)C[NH3+] ZINC000079422098 188118638 /nfs/dbraw/zinc/11/86/38/188118638.db2.gz BLWBTPIAIAIQMQ-UHFFFAOYSA-N 1 0 247.751 1.492 40 0 BDABRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccccn1 ZINC000047218973 188124540 /nfs/dbraw/zinc/12/45/40/188124540.db2.gz BHYKHRWQSHLJSO-UHFFFAOYSA-N 1 0 236.315 1.903 40 0 BDABRO Cc1c[nH]nc1[C@H]1COCCN1Cc1c[nH]cn1 ZINC000257298378 188193747 /nfs/dbraw/zinc/19/37/47/188193747.db2.gz RLKBEXXUVVIRHG-LLVKDONJSA-N 1 0 247.302 1.015 40 0 BDABRO COc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000038538920 188178726 /nfs/dbraw/zinc/17/87/26/188178726.db2.gz LXOQGOMPHHZUHZ-SNVBAGLBSA-N 1 0 225.263 1.401 40 0 BDABRO CC(=O)N(C(C)C)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100178577 188224136 /nfs/dbraw/zinc/22/41/36/188224136.db2.gz AASKZLBOPMBDTO-BETUJISGSA-N 1 0 242.363 1.136 40 0 BDABRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000095698549 353575602 /nfs/dbraw/zinc/57/56/02/353575602.db2.gz VERHYGQTHIOMQC-CIUDSAMLSA-N 1 0 212.293 1.262 40 0 BDABRO Fc1ccc2c(c1)[C@]1(CCC2)COCC[NH2+]1 ZINC000306145714 180990448 /nfs/dbraw/zinc/99/04/48/180990448.db2.gz OHUIDCSGLLSJSX-ZDUSSCGKSA-N 1 0 221.275 1.977 40 0 BDABRO Fc1cccc(C[C@@H]2C[NH2+]CCOC2)c1 ZINC000257266961 180999417 /nfs/dbraw/zinc/99/94/17/180999417.db2.gz MFIPLAZAXSURMD-LLVKDONJSA-N 1 0 209.264 1.604 40 0 BDABRO Fc1cccc2c1C1(CO2)CC[NH2+]CC1 ZINC000098214100 181005571 /nfs/dbraw/zinc/00/55/71/181005571.db2.gz ISVAHABKEKQKIP-UHFFFAOYSA-N 1 0 207.248 1.839 40 0 BDABRO Fc1ccccc1CN[C@H]1CCC[NH2+]C1 ZINC000095147666 181012568 /nfs/dbraw/zinc/01/25/68/181012568.db2.gz ARTHDYOBGVPKQU-NSHDSACASA-N 1 0 208.280 1.667 40 0 BDABRO NC(=[NH2+])NC(=S)Nc1ccc(Cl)cc1 ZINC000001595620 181189883 /nfs/dbraw/zinc/18/98/83/181189883.db2.gz ZEUJCYADFATLCX-UHFFFAOYSA-N 1 0 228.708 1.520 40 0 BDABRO C[N+]1=C(C=CNc2ccccc2)OCC1 ZINC000000402555 355896500 /nfs/dbraw/zinc/89/65/00/355896500.db2.gz JYEMCYGNCBHJJL-UHFFFAOYSA-O 1 0 203.265 1.683 40 0 BDABRO NC(=O)N1c2ccccc2[C@@H]2C[NH2+]CC[C@H]21 ZINC000096268935 181253013 /nfs/dbraw/zinc/25/30/13/181253013.db2.gz PTJIWQVEMSZYEC-GXSJLCMTSA-N 1 0 217.272 1.031 40 0 BDABRO COC(=O)c1cccnc1N[C@H]1CCC[NH2+]C1 ZINC000040434924 357022500 /nfs/dbraw/zinc/02/25/00/357022500.db2.gz VNYLXIAUJMLAII-VIFPVBQESA-N 1 0 235.287 1.032 40 0 BDABRO C[NH+](C)C/C=C/C(=O)Nc1ccc(CO)cc1 ZINC000306146051 538782830 /nfs/dbraw/zinc/78/28/30/538782830.db2.gz QYRYYYRNFQAOGT-ONEGZZNKSA-N 1 0 234.299 1.235 40 0 BDABRO [NH3+][C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000022942118 357341718 /nfs/dbraw/zinc/34/17/18/357341718.db2.gz WKYMUDUHJHLUHV-JTQLQIEISA-N 1 0 210.708 1.873 40 0 BDABRO CCN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051918912 358100542 /nfs/dbraw/zinc/10/05/42/358100542.db2.gz SVNWUWKSUKFMLK-ZDUSSCGKSA-N 1 0 225.380 1.014 40 0 BDABRO [NH3+][C@@H](Cc1ccccc1)c1nnc(C2CC2)[nH]1 ZINC000041161502 358742144 /nfs/dbraw/zinc/74/21/44/358742144.db2.gz ZZVPJASANGNIJU-NSHDSACASA-N 1 0 228.299 1.925 40 0 BDABRO CCCC[NH2+]CCNc1nc(C)cc(C)n1 ZINC000062717884 259521704 /nfs/dbraw/zinc/52/17/04/259521704.db2.gz XWHNZQQVWOMASW-UHFFFAOYSA-N 1 0 222.336 1.895 40 0 BDABRO [NH3+]C1CCC([NH+]2CCN(CC3CC3)CC2)CC1 ZINC000035874766 181341429 /nfs/dbraw/zinc/34/14/29/181341429.db2.gz LBYALFWGJOLWMN-UHFFFAOYSA-N 1 0 237.391 1.284 40 0 BDABRO CC[NH+]1CCN(c2ccc(CCO)c(C)n2)CC1 ZINC000072224687 259532831 /nfs/dbraw/zinc/53/28/31/259532831.db2.gz OJTOMZOLRZVECC-UHFFFAOYSA-N 1 0 249.358 1.067 40 0 BDABRO [NH3+]CCN(Cc1ccccc1F)C1CC1 ZINC000032012031 181390833 /nfs/dbraw/zinc/39/08/33/181390833.db2.gz ZIZSKJPHVBTJCK-UHFFFAOYSA-N 1 0 208.280 1.749 40 0 BDABRO [NH3+]CCNCc1ccccc1OCC(F)(F)F ZINC000072226463 181396502 /nfs/dbraw/zinc/39/65/02/181396502.db2.gz WSOVTXOUZLWKHQ-UHFFFAOYSA-N 1 0 248.248 1.676 40 0 BDABRO [NH3+]CCc1nc(-c2c(F)cccc2F)no1 ZINC000074010337 181413520 /nfs/dbraw/zinc/41/35/20/181413520.db2.gz FOCYFQJLUCGDAR-UHFFFAOYSA-N 1 0 225.198 1.516 40 0 BDABRO [NH3+]C[C@@H](CO)Cc1ccc(F)cc1F ZINC000019280855 181418484 /nfs/dbraw/zinc/41/84/84/181418484.db2.gz VTNMPWGUQFOYLK-ZETCQYMHSA-N 1 0 201.216 1.075 40 0 BDABRO O=C1COC2(CC[NH2+]CC2)CN1c1ccccc1 ZINC000114484328 368341866 /nfs/dbraw/zinc/34/18/66/368341866.db2.gz VTEFXRILODGPKL-UHFFFAOYSA-N 1 0 246.310 1.172 40 0 BDABRO O=[n+]1cccc2oc3cccn(O)c3c21 ZINC000138870986 368346855 /nfs/dbraw/zinc/34/68/55/368346855.db2.gz TZAVSJPVSYPOAP-UHFFFAOYSA-N 1 0 203.177 1.539 40 0 BDABRO OCc1cc([C@@H]2CCC[N@@H+]2C2CCCC2)[nH]n1 ZINC000205701553 368359785 /nfs/dbraw/zinc/35/97/85/368359785.db2.gz XKJJUHHISNMSDL-ZDUSSCGKSA-N 1 0 235.331 1.982 40 0 BDABRO COC(=O)c1ccc([C@@H]2CSCC[NH2+]2)cc1 ZINC000207428254 368360633 /nfs/dbraw/zinc/36/06/33/368360633.db2.gz VYPADCDJLBYQCO-NSHDSACASA-N 1 0 237.324 1.851 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H]([NH3+])[C@H]21 ZINC000514269647 369720715 /nfs/dbraw/zinc/72/07/15/369720715.db2.gz LKFGPMRVNCQJHB-VGMNWLOBSA-N 1 0 212.293 1.343 40 0 BDABRO Cc1cc(Nc2ccccn2)nc(C2C[NH2+]C2)n1 ZINC000205685519 369996733 /nfs/dbraw/zinc/99/67/33/369996733.db2.gz WSZIXIDZQFHADR-UHFFFAOYSA-N 1 0 241.298 1.610 40 0 BDABRO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000205696035 369997626 /nfs/dbraw/zinc/99/76/26/369997626.db2.gz JQKSHSGZLKEAHT-JTQLQIEISA-N 1 0 243.314 1.642 40 0 BDABRO CCOc1ccc([C@@H]2CN(C)C[C@H]2[NH3+])cc1 ZINC000242495791 259544578 /nfs/dbraw/zinc/54/45/78/259544578.db2.gz GQILZPOUUGGDAF-QWHCGFSZSA-N 1 0 220.316 1.442 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000038539741 181579624 /nfs/dbraw/zinc/57/96/24/181579624.db2.gz LSBMZDSHWOJQGZ-SNVBAGLBSA-N 1 0 226.270 1.888 40 0 BDABRO [NH3+][C@H]1CCc2c1cnn2CC(F)(F)F ZINC000095098080 181655393 /nfs/dbraw/zinc/65/53/93/181655393.db2.gz WAWYHVODEFZHEW-LURJTMIESA-N 1 0 205.183 1.391 40 0 BDABRO CC[NH2+]C[C@@H](O)c1cncc(Br)c1 ZINC000122888230 170119596 /nfs/dbraw/zinc/11/95/96/170119596.db2.gz ZCARCZSLZIFMED-SECBINFHSA-N 1 0 245.120 1.487 40 0 BDABRO CCOC(=O)[C@@H](CC[NH+](CC)CC)C(C)=O ZINC000005848135 170251306 /nfs/dbraw/zinc/25/13/06/170251306.db2.gz ZQQHBSPNJHQAKU-NSHDSACASA-N 1 0 229.320 1.487 40 0 BDABRO OC1(C(F)(F)F)CC2(C1)CC[NH2+]CC2 ZINC000057218912 183016172 /nfs/dbraw/zinc/01/61/72/183016172.db2.gz DIANNDUQQLTYAT-UHFFFAOYSA-N 1 0 209.211 1.443 40 0 BDABRO OCCc1cc([C@@H]2CC[N@H+](CC3CC3)C2)[nH]n1 ZINC000072383319 183100086 /nfs/dbraw/zinc/10/00/86/183100086.db2.gz CJTJRNKWGCEBRH-LLVKDONJSA-N 1 0 235.331 1.144 40 0 BDABRO O[C@@H]1CC[N@H+](CC2CC2)[C@H]1Cc1cccnc1 ZINC000096061608 183198609 /nfs/dbraw/zinc/19/86/09/183198609.db2.gz LHJPIKTVKVRODB-UONOGXRCSA-N 1 0 232.327 1.469 40 0 BDABRO O[C@H]1CC[NH2+]C[C@H]1Cc1ccc(Cl)cc1 ZINC000071532593 183241347 /nfs/dbraw/zinc/24/13/47/183241347.db2.gz SFTBSHONMMDZSN-PWSUYJOCSA-N 1 0 225.719 1.853 40 0 BDABRO CCC[N@@H+]1CCc2[nH]c(=S)nc(C)c2C1 ZINC000049474127 169207922 /nfs/dbraw/zinc/20/79/22/169207922.db2.gz DFJOHMSLJNADRI-UHFFFAOYSA-N 1 0 223.345 1.842 40 0 BDABRO c1cc(CO[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccn1 ZINC000306127916 183355587 /nfs/dbraw/zinc/35/55/87/183355587.db2.gz GKOSLOWCUIWQES-UONOGXRCSA-N 1 0 248.326 1.509 40 0 BDABRO c1[nH]nc2ccc(C[C@@H]3C[NH2+]CCOC3)cc12 ZINC000257197656 183364078 /nfs/dbraw/zinc/36/40/78/183364078.db2.gz FWJGBBRDVOIFNU-LLVKDONJSA-N 1 0 231.299 1.341 40 0 BDABRO CCC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219038 169261488 /nfs/dbraw/zinc/26/14/88/169261488.db2.gz TVXIOFIPJAZFTL-SECBINFHSA-N 1 0 201.310 1.964 40 0 BDABRO c1ccc(-c2nc(CC3CC[NH2+]CC3)no2)nc1 ZINC000096511435 183381619 /nfs/dbraw/zinc/38/16/19/183381619.db2.gz BVWQZGNJIAIMGG-UHFFFAOYSA-N 1 0 244.298 1.674 40 0 BDABRO c1ccc(-c2n[nH]c3c2[C@H]2CC[C@@H](C3)[NH2+]2)nc1 ZINC000096510296 183382616 /nfs/dbraw/zinc/38/26/16/183382616.db2.gz DGTSCVFDDKOUEH-DTWKUNHWSA-N 1 0 226.283 1.821 40 0 BDABRO c1cc([C@@H]2CCC[N@@H+]2C2CCOCC2)n[nH]1 ZINC000019695453 183361145 /nfs/dbraw/zinc/36/11/45/183361145.db2.gz NZTHGLCNTMPTCR-LBPRGKRZSA-N 1 0 221.304 1.726 40 0 BDABRO c1nc([C@@H]2CCCC[NH2+]2)n(-c2ccccn2)n1 ZINC000096524338 183387889 /nfs/dbraw/zinc/38/78/89/183387889.db2.gz MBMWMYWCGGRTSI-JTQLQIEISA-N 1 0 229.287 1.477 40 0 BDABRO CCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256052104 169265846 /nfs/dbraw/zinc/26/58/46/169265846.db2.gz LXRJOZQTFMQUOK-UHFFFAOYSA-N 1 0 221.226 1.939 40 0 BDABRO CCCOc1ccc([C@H]2CN(C)C[C@@H]2[NH3+])cc1 ZINC000217662623 169322649 /nfs/dbraw/zinc/32/26/49/169322649.db2.gz IQRLYFZCLWBADM-KGLIPLIRSA-N 1 0 234.343 1.832 40 0 BDABRO c1cn(-c2cnc([C@H]3CCC[NH2+]C3)cn2)cn1 ZINC000072386550 183465501 /nfs/dbraw/zinc/46/55/01/183465501.db2.gz QMIBXJIJRMRNHD-JTQLQIEISA-N 1 0 229.287 1.129 40 0 BDABRO CCCn1cc([C@H](O)C2(C[NH3+])CCC2)cn1 ZINC000085395974 169620986 /nfs/dbraw/zinc/62/09/86/169620986.db2.gz TZWBMYLRYRXZDN-NSHDSACASA-N 1 0 223.320 1.456 40 0 BDABRO CC1(C)O[C@]2(C)CC[C@H]1[C@@H](O)[C@H]2[NH+]1CCCC1 ZINC000001579413 383907350 /nfs/dbraw/zinc/90/73/50/383907350.db2.gz QKGZDMXHXCXTMP-FMCLSXCISA-N 1 0 239.359 1.789 40 0 BDABRO CC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000001599836 383908577 /nfs/dbraw/zinc/90/85/77/383908577.db2.gz HZVGUDISFBCCJY-CYBMUJFWSA-N 1 0 234.343 1.905 40 0 BDABRO COc1ccccc1C(=O)CC[NH+](C)C ZINC000001591170 383909248 /nfs/dbraw/zinc/90/92/48/383909248.db2.gz VCEQRSOPBPYQJF-UHFFFAOYSA-N 1 0 207.273 1.830 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(C)c1 ZINC000067173364 383912467 /nfs/dbraw/zinc/91/24/67/383912467.db2.gz IRQBRAFXEUYDDN-NEPJUHHUSA-N 1 0 219.284 1.471 40 0 BDABRO CN(Cc1ccc(Cl)cc1Cl)C(=O)C[NH3+] ZINC000037804993 383894466 /nfs/dbraw/zinc/89/44/66/383894466.db2.gz ILYWHUHPLPBERR-UHFFFAOYSA-N 1 0 247.125 1.911 40 0 BDABRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000089157648 383939967 /nfs/dbraw/zinc/93/99/67/383939967.db2.gz IHGSPMZBMBIGHI-RKDXNWHRSA-N 1 0 214.309 1.639 40 0 BDABRO [NH3+][C@H](CO)c1ccc(F)c(C(F)(F)F)c1 ZINC000072198449 384016378 /nfs/dbraw/zinc/01/63/78/384016378.db2.gz UJJZTXPJTZTQQM-MRVPVSSYSA-N 1 0 223.169 1.837 40 0 BDABRO [NH3+]C[C@H](c1c(F)cccc1F)N1CCOCC1 ZINC000022214728 384021668 /nfs/dbraw/zinc/02/16/68/384021668.db2.gz NUHFWVQMJUJGBF-LLVKDONJSA-N 1 0 242.269 1.297 40 0 BDABRO O=C1OCC[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000004203334 384044711 /nfs/dbraw/zinc/04/47/11/384044711.db2.gz QPZOFKOCEPRLRF-CQSZACIVSA-N 1 0 231.295 1.826 40 0 BDABRO c1cnc2nc(N3CC[NH2+]CC3)ccc2c1 ZINC000090584196 384061811 /nfs/dbraw/zinc/06/18/11/384061811.db2.gz UCZSVZZLZDIYMN-UHFFFAOYSA-N 1 0 214.272 1.039 40 0 BDABRO Cc1ccc(Nc2cc(NN)[nH+]cn2)cc1 ZINC000070451489 384109215 /nfs/dbraw/zinc/10/92/15/384109215.db2.gz BWCCDVATXVOPEM-UHFFFAOYSA-N 1 0 215.260 1.814 40 0 BDABRO CCN(CC[NH3+])Cc1ccccc1OC ZINC000039318900 384112639 /nfs/dbraw/zinc/11/26/39/384112639.db2.gz ZUGLJQMJHXYNAU-UHFFFAOYSA-N 1 0 208.305 1.476 40 0 BDABRO C[NH+](C)[C@@H]1CCCC[C@H]1N(CCO)C1CC1 ZINC000079423138 384146726 /nfs/dbraw/zinc/14/67/26/384146726.db2.gz SQUWYBOMJCWVLV-CHWSQXEVSA-N 1 0 226.364 1.316 40 0 BDABRO C[NH2+][C@@H]1CCCC[C@H]1N(C(C)=O)C(C)C ZINC000079438175 384146904 /nfs/dbraw/zinc/14/69/04/384146904.db2.gz LNXWSIFVLXPWFU-VXGBXAGGSA-N 1 0 212.337 1.774 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccco1)C(C)C ZINC000079436429 384146914 /nfs/dbraw/zinc/14/69/14/384146914.db2.gz CJHOMXBKWMZJPV-LBPRGKRZSA-N 1 0 238.331 2.000 40 0 BDABRO CCCCCCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000071978927 384192233 /nfs/dbraw/zinc/19/22/33/384192233.db2.gz VRJPHHQKVHZCRV-NSHDSACASA-N 1 0 212.337 1.777 40 0 BDABRO Cc1ccc(OC[C@@H](O)C[NH3+])c(C(C)(C)C)c1 ZINC000008028941 384192412 /nfs/dbraw/zinc/19/24/12/384192412.db2.gz VISTYIMPEPOLNW-NSHDSACASA-N 1 0 237.343 1.991 40 0 BDABRO Cn1cnnc1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000072361365 384212572 /nfs/dbraw/zinc/21/25/72/384212572.db2.gz DUQQRQIJDDEBFD-SNVBAGLBSA-N 1 0 206.293 1.014 40 0 BDABRO CNc1cncc(C2CC[NH+](C)CC2)n1 ZINC000072381216 384217669 /nfs/dbraw/zinc/21/76/69/384217669.db2.gz NYAHDXUUNJCRTM-UHFFFAOYSA-N 1 0 206.293 1.328 40 0 BDABRO Cc1cc(CCC(N)=O)cc([C@@H]2CCC[N@H+]2C)n1 ZINC000072382828 384219272 /nfs/dbraw/zinc/21/92/72/384219272.db2.gz HTHFSNMDEZNMCC-ZDUSSCGKSA-N 1 0 247.342 1.575 40 0 BDABRO c1cn(-c2cc([C@@H]3CCC[NH2+]3)ccn2)cn1 ZINC000072386544 384219476 /nfs/dbraw/zinc/21/94/76/384219476.db2.gz IVAMHHWSGYYGJF-NSHDSACASA-N 1 0 214.272 1.692 40 0 BDABRO c1cc(-c2cncnc2)nnc1C[C@H]1CC[NH2+]C1 ZINC000072388944 384220217 /nfs/dbraw/zinc/22/02/17/384220217.db2.gz IKMJDSAUGVATOV-SNVBAGLBSA-N 1 0 241.298 1.086 40 0 BDABRO CC/C=C(/C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069725092 384258198 /nfs/dbraw/zinc/25/81/98/384258198.db2.gz HYDQSJYUQCVBSG-RPGNDLBOSA-N 1 0 224.348 1.929 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000075418445 384265477 /nfs/dbraw/zinc/26/54/77/384265477.db2.gz OZNZRGYPCXWEAQ-LDYMZIIASA-N 1 0 245.319 1.649 40 0 BDABRO C[NH+]1CCC(CC(=O)N2CCCCC2)CC1 ZINC000074920894 384311844 /nfs/dbraw/zinc/31/18/44/384311844.db2.gz AEBYRFPQRSOPRT-UHFFFAOYSA-N 1 0 224.348 1.731 40 0 BDABRO Cc1cc(C(F)(F)F)c(C[NH3+])c(=O)[nH]1 ZINC000044248932 384322474 /nfs/dbraw/zinc/32/24/74/384322474.db2.gz WQHDTHDJPDGYLZ-UHFFFAOYSA-N 1 0 206.167 1.161 40 0 BDABRO O=C1CCCC2(CC[NH+](Cc3ccco3)CC2)N1 ZINC000096047383 384426278 /nfs/dbraw/zinc/42/62/78/384426278.db2.gz DHIIDOWIOLGCKF-UHFFFAOYSA-N 1 0 248.326 1.914 40 0 BDABRO c1cncc(COC[C@@H]2CC[C@H]3[NH2+]CCO[C@@H]32)c1 ZINC000096250112 384445089 /nfs/dbraw/zinc/44/50/89/384445089.db2.gz MSMJEAVQQBLCMH-BFHYXJOUSA-N 1 0 248.326 1.365 40 0 BDABRO c1nc2c(c(NC3CCC3)n1)CC[NH2+]CC2 ZINC000096255783 384446056 /nfs/dbraw/zinc/44/60/56/384446056.db2.gz CFIGHKPZFBTTMB-UHFFFAOYSA-N 1 0 218.304 1.129 40 0 BDABRO Cc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)C[C@@H]32)s1 ZINC000096245726 384446634 /nfs/dbraw/zinc/44/66/34/384446634.db2.gz KRRHHNIMYDBJNW-QWRGUYRKSA-N 1 0 236.340 1.519 40 0 BDABRO c1cncc(CO[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000096248999 384447227 /nfs/dbraw/zinc/44/72/27/384447227.db2.gz PSVLQGSETNVMBZ-RDBSUJKOSA-N 1 0 232.327 1.986 40 0 BDABRO CC(C)(C)OC(=O)CC[NH2+]Cc1cccnc1 ZINC000047218972 384447595 /nfs/dbraw/zinc/44/75/95/384447595.db2.gz LUJMJNHVQLIDLK-UHFFFAOYSA-N 1 0 236.315 1.903 40 0 BDABRO c1cnc(N2C[C@@H]3C[NH+](CC4CC4)C[C@H]3C2)nc1 ZINC000096054017 384429727 /nfs/dbraw/zinc/42/97/27/384429727.db2.gz QQADZYWXNYZLFL-STQMWFEESA-N 1 0 244.342 1.255 40 0 BDABRO Cc1ccc(CN2C[C@@H]3C[C@]3([NH3+])C2)cc1C ZINC000096082177 384433443 /nfs/dbraw/zinc/43/34/43/384433443.db2.gz QUTUEZLUADMCHH-KBPBESRZSA-N 1 0 216.328 1.836 40 0 BDABRO c1ncn2c1C[NH2+]C[C@@H](COc1ccccn1)C2 ZINC000096207920 384443706 /nfs/dbraw/zinc/44/37/06/384443706.db2.gz WQOULANHPLLWGG-LLVKDONJSA-N 1 0 244.298 1.077 40 0 BDABRO C[NH+](C)CCNC(=O)Cc1ccccc1F ZINC000047653205 384461430 /nfs/dbraw/zinc/46/14/30/384461430.db2.gz BGSXWUCUYLFJBH-UHFFFAOYSA-N 1 0 224.279 1.046 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](C[NH3+])C1 ZINC000107259848 384485279 /nfs/dbraw/zinc/48/52/79/384485279.db2.gz WWJQJSHXCBBXRO-YUMQZZPRSA-N 1 0 218.272 1.150 40 0 BDABRO C[NH+](C)CC(=O)N1CCC[C@@H]1c1ccccn1 ZINC000019695437 384535017 /nfs/dbraw/zinc/53/50/17/384535017.db2.gz HQCTWPCOSFTAHY-GFCCVEGCSA-N 1 0 233.315 1.307 40 0 BDABRO O=C(NCC(F)(F)F)[C@H]1CCCCC[NH2+]1 ZINC000082737779 384559775 /nfs/dbraw/zinc/55/97/75/384559775.db2.gz AIURGJHWXGAAQE-SSDOTTSWSA-N 1 0 224.226 1.197 40 0 BDABRO [NH3+]Cc1ccc([C@H]2CNC(=O)C2)c(Cl)c1 ZINC000199775386 384539894 /nfs/dbraw/zinc/53/98/94/384539894.db2.gz RACIOHXTZMLEFQ-MRVPVSSYSA-N 1 0 224.691 1.402 40 0 BDABRO [NH3+][C@H]1CC[C@H](Nc2ccc(Cl)nn2)CC1 ZINC000100178560 384622396 /nfs/dbraw/zinc/62/23/96/384622396.db2.gz VWKHQLGXGDQVBJ-OCAPTIKFSA-N 1 0 226.711 1.812 40 0 BDABRO FC(F)(F)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC000051868110 384698158 /nfs/dbraw/zinc/69/81/58/384698158.db2.gz XMHSNLFIFFOPKE-ZETCQYMHSA-N 1 0 232.205 1.841 40 0 BDABRO Cc1ccc(C[C@@H]2[NH2+]CCC[C@@H]2O)cc1 ZINC000076639818 384698385 /nfs/dbraw/zinc/69/83/85/384698385.db2.gz VAZFVGOKFGFLFM-STQMWFEESA-N 1 0 205.301 1.650 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH3+])CC[C@@H]2C1 ZINC000091304610 384783553 /nfs/dbraw/zinc/78/35/53/384783553.db2.gz GBPFKXPJCJSCBK-GMTAPVOTSA-N 1 0 240.347 1.838 40 0 BDABRO CCO[C@H](C[NH2+]C)c1ccc2c(c1)OCO2 ZINC000062711541 384853001 /nfs/dbraw/zinc/85/30/01/384853001.db2.gz AANTZPCKRQFTSQ-GFCCVEGCSA-N 1 0 223.272 1.712 40 0 BDABRO COC(=O)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000057496502 384949240 /nfs/dbraw/zinc/94/92/40/384949240.db2.gz VNRMYROTJKSLET-VIFPVBQESA-N 1 0 211.236 1.431 40 0 BDABRO CSc1nc(Cl)cc(N[C@@H]2CC[NH2+]C2)n1 ZINC000072203391 385054721 /nfs/dbraw/zinc/05/47/21/385054721.db2.gz OBXNLLGHSIPVFG-ZCFIWIBFSA-N 1 0 244.751 1.626 40 0 BDABRO C[C@@](C[NH3+])(c1ccccc1)N1CCOCC1 ZINC000059842766 385058414 /nfs/dbraw/zinc/05/84/14/385058414.db2.gz BVNIWEOVDSFNBP-CYBMUJFWSA-N 1 0 220.316 1.193 40 0 BDABRO C[NH+](C)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000072210158 385064307 /nfs/dbraw/zinc/06/43/07/385064307.db2.gz DUVBSPSZLSXXOE-CYBMUJFWSA-N 1 0 218.300 1.354 40 0 BDABRO CN(C)c1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000072212581 385076826 /nfs/dbraw/zinc/07/68/26/385076826.db2.gz GTLAIPDLSVFKSX-LLVKDONJSA-N 1 0 205.305 1.914 40 0 BDABRO CCSc1ncc(C[NH2+]CCCO)cn1 ZINC000062717332 385031830 /nfs/dbraw/zinc/03/18/30/385031830.db2.gz BMBXXUBPHBQCMG-UHFFFAOYSA-N 1 0 227.333 1.061 40 0 BDABRO CCOCCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000059231742 385043284 /nfs/dbraw/zinc/04/32/84/385043284.db2.gz GZQWRZNBODJVHK-AWEZNQCLSA-N 1 0 234.343 1.669 40 0 BDABRO CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072187745 385046361 /nfs/dbraw/zinc/04/63/61/385046361.db2.gz RGDHNTRZTSONRD-SNVBAGLBSA-N 1 0 233.315 1.250 40 0 BDABRO CC[NH+]1CCN(c2cc(C)c([C@H](C)O)cn2)CC1 ZINC000072223628 385115262 /nfs/dbraw/zinc/11/52/62/385115262.db2.gz XAPWGBYURUTGIL-LBPRGKRZSA-N 1 0 249.358 1.585 40 0 BDABRO CC[NH+](CC)Cc1cn2c(n1)NCCC2 ZINC000072226591 385128913 /nfs/dbraw/zinc/12/89/13/385128913.db2.gz UILOPYSWADCYPZ-UHFFFAOYSA-N 1 0 208.309 1.541 40 0 BDABRO c1cc(N2CCOCC2)ncc1C1=[NH+]CCCC1 ZINC000072216173 385094252 /nfs/dbraw/zinc/09/42/52/385094252.db2.gz QQDPRHHFTZISBR-UHFFFAOYSA-N 1 0 245.326 1.891 40 0 BDABRO COC(=O)c1cc(Br)oc1C[NH3+] ZINC000085388603 385151523 /nfs/dbraw/zinc/15/15/23/385151523.db2.gz UUWIJHKTNYGRTA-UHFFFAOYSA-N 1 0 234.049 1.287 40 0 BDABRO O=C1[C@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H]1CCCC2 ZINC000045027878 385235528 /nfs/dbraw/zinc/23/55/28/385235528.db2.gz SNFCONHORNRIMQ-FRRDWIJNSA-N 1 0 237.343 1.857 40 0 BDABRO C(c1noc([C@@H]2CCCO2)n1)C1CC[NH2+]CC1 ZINC000096511481 385252746 /nfs/dbraw/zinc/25/27/46/385252746.db2.gz KBVXYGACUDEBFW-JTQLQIEISA-N 1 0 237.303 1.463 40 0 BDABRO CCc1cc(N2CCC([NH3+])CC2)nc(C2CC2)n1 ZINC000096516958 385254722 /nfs/dbraw/zinc/25/47/22/385254722.db2.gz IIFIMNCRRRQTMN-UHFFFAOYSA-N 1 0 246.358 1.844 40 0 BDABRO CN1c2ccc(F)cc2C(=O)N[C@]12CCC[NH2+]C2 ZINC000096516603 385262259 /nfs/dbraw/zinc/26/22/59/385262259.db2.gz HAAKPQPJPXWRGC-CYBMUJFWSA-N 1 0 249.289 1.085 40 0 BDABRO Cn1cccc1CN1CCCC[C@@H]1C[NH3+] ZINC000096523618 385269102 /nfs/dbraw/zinc/26/91/02/385269102.db2.gz LICOREMQXJUMQE-LLVKDONJSA-N 1 0 207.321 1.338 40 0 BDABRO CCCn1nc(C)cc1CN(C)C[C@@H](C)[NH3+] ZINC000096523912 385270974 /nfs/dbraw/zinc/27/09/74/385270974.db2.gz NRPKCYPGOWCCRH-SNVBAGLBSA-N 1 0 224.352 1.381 40 0 BDABRO c1ccc2c(c1)[nH]c1c2CCN[C@@]12CCC[NH2+]C2 ZINC000034182486 385272560 /nfs/dbraw/zinc/27/25/60/385272560.db2.gz PHAZVTAAYUDKTB-OAHLLOKOSA-N 1 0 241.338 1.892 40 0 BDABRO CC[C@H]([C@@H]([NH3+])C(C)(C)C)S(=O)(=O)CC ZINC000096524989 385278276 /nfs/dbraw/zinc/27/82/76/385278276.db2.gz LTGLMVZZOWMPKI-RKDXNWHRSA-N 1 0 221.366 1.573 40 0 BDABRO COC(=O)Nc1ccc(OC2C[NH2+]C2)cc1 ZINC000397005952 385329325 /nfs/dbraw/zinc/32/93/25/385329325.db2.gz RYSYVUNJKVAYQQ-UHFFFAOYSA-N 1 0 222.244 1.216 40 0 BDABRO Cc1noc([C@H]2C[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000328579575 385490865 /nfs/dbraw/zinc/49/08/65/385490865.db2.gz PORBAEOFKOZWTA-NEPJUHHUSA-N 1 0 229.283 1.849 40 0 BDABRO CN(C)c1ccc(C(=O)N2CCC[NH2+]CC2)cc1 ZINC000019516762 385513896 /nfs/dbraw/zinc/51/38/96/385513896.db2.gz XSQNSDCEEBLYBY-UHFFFAOYSA-N 1 0 247.342 1.188 40 0 BDABRO CC(C)Cn1nccc1[C@@H]1CCCN1CC[NH3+] ZINC000022763041 385546216 /nfs/dbraw/zinc/54/62/16/385546216.db2.gz UAGVVJXWBKWAPK-LBPRGKRZSA-N 1 0 236.363 1.635 40 0 BDABRO COC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000004011301 385555941 /nfs/dbraw/zinc/55/59/41/385555941.db2.gz YATGIAFCGMOEFX-VWYCJHECSA-N 1 0 201.310 1.569 40 0 BDABRO CO[C@H]1C[NH2+][C@H](c2nc3ccccc3n2C)C1 ZINC000036895869 385589858 /nfs/dbraw/zinc/58/98/58/385589858.db2.gz IQGFSCUPFDVPHW-KOLCDFICSA-N 1 0 231.299 1.623 40 0 BDABRO CC(C)CN(CC(C)C)C(=O)C[NH2+]C1CC1 ZINC000037395022 385643224 /nfs/dbraw/zinc/64/32/24/385643224.db2.gz NQCLHJIQYPONKW-UHFFFAOYSA-N 1 0 226.364 1.879 40 0 BDABRO CCOC[C@H]1C[N@H+](CC2CC2)Cc2ccnn21 ZINC000253383493 385673358 /nfs/dbraw/zinc/67/33/58/385673358.db2.gz LTZFAAQYFIPZDS-CYBMUJFWSA-N 1 0 235.331 1.686 40 0 BDABRO C[NH2+][C@H](C)C(=O)c1ccc2c(c1)OCCO2 ZINC000041609678 385692469 /nfs/dbraw/zinc/69/24/69/385692469.db2.gz MRFMNGZRIIBJTB-MRVPVSSYSA-N 1 0 221.256 1.248 40 0 in-vitro BDABRO C[C@H]([NH3+])c1ccc([C@@H]2CCS(=O)(=O)C2)cc1 ZINC000075845449 385693683 /nfs/dbraw/zinc/69/36/83/385693683.db2.gz RIHIEWFRXAHDPL-JOYOIKCWSA-N 1 0 239.340 1.608 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@@H]1c1ccc2c(c1)CCO2 ZINC000062713754 385694986 /nfs/dbraw/zinc/69/49/86/385694986.db2.gz CMOSMEMGDDNXRT-YPMHNXCESA-N 1 0 219.284 1.046 40 0 BDABRO [NH3+]C[C@@]1(CO)C[C@H]1c1ccc2c(c1)CCO2 ZINC000062713746 385698835 /nfs/dbraw/zinc/69/88/35/385698835.db2.gz CMOSMEMGDDNXRT-WCQYABFASA-N 1 0 219.284 1.046 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2cccc(F)c2)CC1 ZINC000255190462 385712596 /nfs/dbraw/zinc/71/25/96/385712596.db2.gz XJHJEANHWAZQFA-HAQNSBGRSA-N 1 0 236.290 1.825 40 0 BDABRO Cc1ccc(C)c(CN2CC[C@@H]([NH3+])C2)c1 ZINC000038538982 385668126 /nfs/dbraw/zinc/66/81/26/385668126.db2.gz GWJKUDFNNQPDET-CYBMUJFWSA-N 1 0 204.317 1.836 40 0 BDABRO Cn1nccc1-c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000257210648 385752367 /nfs/dbraw/zinc/75/23/67/385752367.db2.gz BVPDEWLEGUISSK-SECBINFHSA-N 1 0 229.287 1.302 40 0 BDABRO Cc1n[nH]cc1-c1cncc([C@H]2CCC[NH2+]C2)n1 ZINC000257203175 385752997 /nfs/dbraw/zinc/75/29/97/385752997.db2.gz AOYLJBPZVAGRGT-JTQLQIEISA-N 1 0 243.314 1.642 40 0 BDABRO c1cn(-c2nccnc2[C@@H]2CCC[NH2+]C2)cn1 ZINC000257197532 385753543 /nfs/dbraw/zinc/75/35/43/385753543.db2.gz CDWVXHJJZHRRCT-SNVBAGLBSA-N 1 0 229.287 1.129 40 0 BDABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@H+]2C)n1 ZINC000257230059 385755793 /nfs/dbraw/zinc/75/57/93/385755793.db2.gz GAPJDKQGKXOAEL-LBPRGKRZSA-N 1 0 243.314 1.942 40 0 BDABRO Cn1nccc1-c1cc(C[C@@H]2CC[NH2+]C2)ncn1 ZINC000257228682 385755842 /nfs/dbraw/zinc/75/58/42/385755842.db2.gz FUVKRKAFILLOPZ-JTQLQIEISA-N 1 0 243.314 1.029 40 0 BDABRO CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1 ZINC000257303645 385760606 /nfs/dbraw/zinc/76/06/06/385760606.db2.gz SIAZKJVDSIKGPO-ZDUSSCGKSA-N 1 0 247.342 1.940 40 0 BDABRO C[C@]1(O)CC[NH2+]C[C@@H]1Oc1cccc(Cl)c1 ZINC000257317597 385764491 /nfs/dbraw/zinc/76/44/91/385764491.db2.gz VKLIUPLKWMUHME-RYUDHWBXSA-N 1 0 241.718 1.832 40 0 BDABRO Cn1nccc1-c1cncc(C[C@@H]2CC[NH2+]C2)n1 ZINC000257318518 385765574 /nfs/dbraw/zinc/76/55/74/385765574.db2.gz VOHARQOKLNTBQA-JTQLQIEISA-N 1 0 243.314 1.029 40 0 BDABRO CCOC(=O)[C@@H]1C[C@H]2C(=O)CCCC[C@@H]2N1 ZINC000212420009 385722886 /nfs/dbraw/zinc/72/28/86/385722886.db2.gz ZKQFKCSGDYCDAX-UTLUCORTSA-N 1 0 225.288 1.039 40 0 BDABRO CC[C@@H](CO)[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717607 385724742 /nfs/dbraw/zinc/72/47/42/385724742.db2.gz ASLWCEZKHYEHDK-NSHDSACASA-N 1 0 238.335 1.157 40 0 BDABRO COC(=O)c1ccc2c(c1)CC[C@@]21COCC[NH2+]1 ZINC000306145876 385994858 /nfs/dbraw/zinc/99/48/58/385994858.db2.gz UKPNFGHPXLCSGG-CQSZACIVSA-N 1 0 247.294 1.235 40 0 BDABRO c1cncc(COC[C@@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000306132929 385991142 /nfs/dbraw/zinc/99/11/42/385991142.db2.gz LWPNBVADWRJZTQ-KGLIPLIRSA-N 1 0 232.327 1.988 40 0 BDABRO C[NH2+][C@H](CO)c1c(F)cccc1Cl ZINC000038121308 386122931 /nfs/dbraw/zinc/12/29/31/386122931.db2.gz SZYYDIFLVQCFAJ-MRVPVSSYSA-N 1 0 203.644 1.732 40 0 BDABRO CC[NH+](CC)Cc1cccn1CCOC ZINC000225308843 386185629 /nfs/dbraw/zinc/18/56/29/386185629.db2.gz DNLYRKXJLRRBOW-UHFFFAOYSA-N 1 0 210.321 1.976 40 0 BDABRO Cc1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218871593 386364678 /nfs/dbraw/zinc/36/46/78/386364678.db2.gz SLQCEYKQQSWTIW-STQMWFEESA-N 1 0 204.317 1.964 40 0 BDABRO Cc1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000218871705 386364786 /nfs/dbraw/zinc/36/47/86/386364786.db2.gz SLQCEYKQQSWTIW-OLZOCXBDSA-N 1 0 204.317 1.964 40 0 BDABRO Cc1noc([C@H]2C[NH2+]CC23CCCC3)n1 ZINC000328579487 386527696 /nfs/dbraw/zinc/52/76/96/386527696.db2.gz KUJOSMHOLFCGFI-SECBINFHSA-N 1 0 207.277 1.625 40 0 BDABRO CCOc1ccc(-c2noc(C[NH2+]C)n2)cn1 ZINC000328579378 386528150 /nfs/dbraw/zinc/52/81/50/386528150.db2.gz DJZRQUAUYRXBRT-UHFFFAOYSA-N 1 0 234.259 1.250 40 0 BDABRO O=C1Nc2cccc(F)c2CC12CC[NH2+]CC2 ZINC000098214156 386582549 /nfs/dbraw/zinc/58/25/49/386582549.db2.gz JDYBNEONQSJONF-UHFFFAOYSA-N 1 0 234.274 1.690 40 0 BDABRO O=C1c2ccc(F)cc2CN1C1CC[NH2+]CC1 ZINC000098214140 386582909 /nfs/dbraw/zinc/58/29/09/386582909.db2.gz AQASNZKDWKVWMI-UHFFFAOYSA-N 1 0 234.274 1.534 40 0 BDABRO CO[C@H]1Cn2nccc2C[N@H+](CC2CCCC2)C1 ZINC000247904009 386734461 /nfs/dbraw/zinc/73/44/61/386734461.db2.gz WOHINVVYMXZEIL-CQSZACIVSA-N 1 0 249.358 1.904 40 0 BDABRO C[C@H]1CCCCN1c1ccncc1C[NH3+] ZINC000088114676 386823494 /nfs/dbraw/zinc/82/34/94/386823494.db2.gz SIOYKWWMUXARSI-JTQLQIEISA-N 1 0 205.305 1.919 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1ccccc1C ZINC000096524840 387036691 /nfs/dbraw/zinc/03/66/91/387036691.db2.gz FWCANCDIXGABLX-PWSUYJOCSA-N 1 0 241.356 1.818 40 0 BDABRO CNCc1nc([C@H]2CCCSCC2)no1 ZINC000575415094 387022694 /nfs/dbraw/zinc/02/26/94/387022694.db2.gz PXRROLBUFLPUHR-QMMMGPOBSA-N 1 0 227.333 1.790 40 0 BDABRO CN(C[C@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000079017051 387214485 /nfs/dbraw/zinc/21/44/85/387214485.db2.gz XPQDOUKRHNPOQO-ZDUSSCGKSA-N 1 0 248.326 1.865 40 0 BDABRO CC[N@H+](CC[C@@H]1CCOC1)CC(N)=O ZINC000331079260 387344476 /nfs/dbraw/zinc/34/44/76/387344476.db2.gz YARRYMTWQGOVSZ-SECBINFHSA-N 1 0 200.282 1.270 40 0 BDABRO CC(C)Cn1c(=O)ccc2c1CCC[C@H]2[NH3+] ZINC000088023785 387522079 /nfs/dbraw/zinc/52/20/79/387522079.db2.gz TZAQCGZNPMEWJZ-LLVKDONJSA-N 1 0 220.316 1.840 40 0 BDABRO CC(C)Cn1cc(C[NH2+]C[C@H]2CCCO2)cn1 ZINC000256052128 387860374 /nfs/dbraw/zinc/86/03/74/387860374.db2.gz MACOTNLGSMQPIJ-CYBMUJFWSA-N 1 0 237.347 1.808 40 0 BDABRO CC[C@H](C)n1nccc1C[NH2+]CCCCO ZINC000256055155 387862032 /nfs/dbraw/zinc/86/20/32/387862032.db2.gz ZLMWFKSYUVBGGS-NSHDSACASA-N 1 0 225.336 1.716 40 0 BDABRO CC[C@H](C)n1nccc1C[NH2+]CCOC ZINC000256055182 387863112 /nfs/dbraw/zinc/86/31/12/387863112.db2.gz ZPIYONIUWNSAMR-JTQLQIEISA-N 1 0 211.309 1.590 40 0 BDABRO FC(F)n1nccc1C[NH2+]C[C@@H]1CCCO1 ZINC000256054247 387863347 /nfs/dbraw/zinc/86/33/47/387863347.db2.gz VOZHFPGMVZFDKA-VIFPVBQESA-N 1 0 231.246 1.547 40 0 BDABRO [NH3+]C[C@@H]1C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218002010 388384961 /nfs/dbraw/zinc/38/49/61/388384961.db2.gz WRUSKYLHURPMJY-OIBJUYFYSA-N 1 0 245.731 1.461 40 0 BDABRO [NH3+][C@H]1COC[C@H]1Nc1ccc(Cl)cc1 ZINC000218678238 388391438 /nfs/dbraw/zinc/39/14/38/388391438.db2.gz NCKCBWMEFGIHAU-VHSXEESVSA-N 1 0 212.680 1.478 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccc(C)o1 ZINC000242548241 388399333 /nfs/dbraw/zinc/39/93/33/388399333.db2.gz LEWINZHAPWFTQH-NXEZZACHSA-N 1 0 223.272 1.406 40 0 BDABRO CC(C)c1ccc2c(n1)NC(=O)[C@H]([NH3+])C2 ZINC000242722932 388400922 /nfs/dbraw/zinc/40/09/22/388400922.db2.gz XYLSGRXGMDFIQO-MRVPVSSYSA-N 1 0 205.261 1.027 40 0 BDABRO Cc1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000095067836 388591029 /nfs/dbraw/zinc/59/10/29/388591029.db2.gz RGCSVCJROHGGOU-ZDUSSCGKSA-N 1 0 204.317 1.837 40 0 BDABRO CCOC[C@@H]1C[NH2+]Cc2nn(CC3CC3)cc21 ZINC000306124129 388629134 /nfs/dbraw/zinc/62/91/34/388629134.db2.gz BGVQNUDJNDDLIO-NSHDSACASA-N 1 0 235.331 1.516 40 0 BDABRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000252492948 388653361 /nfs/dbraw/zinc/65/33/61/388653361.db2.gz MYCOBMTYLKGGMC-IUCAKERBSA-N 1 0 232.299 1.553 40 0 BDABRO CCOCC[N@@H+]1C[C@@H](O)C[C@H]1CC(C)C ZINC000252514334 388653786 /nfs/dbraw/zinc/65/37/86/388653786.db2.gz CKPGDQNLDMXXFP-NEPJUHHUSA-N 1 0 215.337 1.504 40 0 BDABRO CCCC[NH2+]Cc1cnc(NCC)nc1 ZINC000062717520 388655747 /nfs/dbraw/zinc/65/57/47/388655747.db2.gz FIUQLOYPERIXAV-UHFFFAOYSA-N 1 0 208.309 1.798 40 0 BDABRO C[C@H]([NH2+]Cc1cnc(N)nc1)c1ccccc1 ZINC000062717355 388655825 /nfs/dbraw/zinc/65/58/25/388655825.db2.gz LLSHHJDIRHGIOS-JTQLQIEISA-N 1 0 228.299 1.910 40 0 BDABRO CCOc1cc(O[C@H]2CCC[NH2+]C2)ncn1 ZINC000079440343 388696373 /nfs/dbraw/zinc/69/63/73/388696373.db2.gz YNVJCPXNRDYOLY-VIFPVBQESA-N 1 0 223.276 1.006 40 0 BDABRO C[NH2+][C@@H]1CCCN(CC(=O)c2cccs2)C1 ZINC000079438633 388696465 /nfs/dbraw/zinc/69/64/65/388696465.db2.gz VPKVISDAJWQYMT-SNVBAGLBSA-N 1 0 238.356 1.615 40 0 BDABRO CC(C)C[C@H]([NH3+])C(=O)NCc1ccccn1 ZINC000011805517 388710032 /nfs/dbraw/zinc/71/00/32/388710032.db2.gz RIIFGPOBRLQCSA-NSHDSACASA-N 1 0 221.304 1.071 40 0 BDABRO CC(C)c1ccc(C[NH3+])c(N2CCC[C@@H](O)C2)n1 ZINC000242498628 388837222 /nfs/dbraw/zinc/83/72/22/388837222.db2.gz HKPDJRFKDDUFMO-GFCCVEGCSA-N 1 0 249.358 1.625 40 0 BDABRO Cc1c[nH]c(NC(=[NH2+])N2CCC(C)CC2)n1 ZINC000049474260 177640863 /nfs/dbraw/zinc/64/08/63/177640863.db2.gz DQVAAGITLSFUOF-UHFFFAOYSA-N 1 0 221.308 1.797 40 0 BDABRO OCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000031659589 132334543 /nfs/dbraw/zinc/33/45/43/132334543.db2.gz DLWLVEBJWXLAGD-UHFFFAOYSA-N 1 0 240.734 1.454 40 0 BDABRO CSc1nccc(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000072203118 132396220 /nfs/dbraw/zinc/39/62/20/132396220.db2.gz FUBCNNVJTCWJNG-VIFPVBQESA-N 1 0 238.360 1.374 40 0 BDABRO [NH3+][C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000040434745 132347548 /nfs/dbraw/zinc/34/75/48/132347548.db2.gz CEDRYJYDVNPIIL-SSDOTTSWSA-N 1 0 212.684 1.058 40 0 BDABRO [NH3+][C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000040434743 132347556 /nfs/dbraw/zinc/34/75/56/132347556.db2.gz CEDRYJYDVNPIIL-ZETCQYMHSA-N 1 0 212.684 1.058 40 0 BDABRO C[N@@H+]1CCC[C@H]1c1ccc(N2CCOCC2)cn1 ZINC000072374369 132397125 /nfs/dbraw/zinc/39/71/25/132397125.db2.gz KUIQRYLONPCFSO-AWEZNQCLSA-N 1 0 247.342 1.685 40 0 BDABRO [NH3+]C[C@H]1[C@@H](F)CCCN1Cc1ccccc1 ZINC000263583536 135127284 /nfs/dbraw/zinc/12/72/84/135127284.db2.gz ICHZCEZXZLAOOB-STQMWFEESA-N 1 0 222.307 1.948 40 0 BDABRO O=C(Nc1ccccc1O)[C@@H]1CCCCC[NH2+]1 ZINC000081002233 135385433 /nfs/dbraw/zinc/38/54/33/135385433.db2.gz YJIXFTJQVCPRSK-NSHDSACASA-N 1 0 234.299 1.863 40 0 BDABRO CC[C@@](C)(Nc1ccccc1)[C@H](C[NH3+])CO ZINC000072210373 322906046 /nfs/dbraw/zinc/90/60/46/322906046.db2.gz MNVSZBWXJWTAFU-DGCLKSJQSA-N 1 0 222.332 1.834 40 0 BDABRO CCOC(=O)[C@H](N)[C@@](C)(CC)[NH+]1CCCCC1 ZINC000072210582 322906375 /nfs/dbraw/zinc/90/63/75/322906375.db2.gz ZHXJDVYDYSMPDL-WCQYABFASA-N 1 0 242.363 1.531 40 0 BDABRO CC(C)(C)OC(=O)NCC12CC([NH3+])(C1)CC2 ZINC000306145585 166661857 /nfs/dbraw/zinc/66/18/57/166661857.db2.gz JHXVIBOCIYTIMM-UHFFFAOYSA-N 1 0 226.320 1.783 40 0 BDABRO CC(C)CC[NH2+]Cc1ccnn1CCF ZINC000256053607 166861932 /nfs/dbraw/zinc/86/19/32/166861932.db2.gz SBWHZEQGBHOHDB-UHFFFAOYSA-N 1 0 213.300 1.988 40 0 BDABRO CC(C)C[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001712482 167004447 /nfs/dbraw/zinc/00/44/47/167004447.db2.gz WDICTQVBXKADBP-UHFFFAOYSA-N 1 0 236.315 1.671 40 0 in-man BDABRO CC(C)OC[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000026466113 167270106 /nfs/dbraw/zinc/27/01/06/167270106.db2.gz UNQYRDSDDCNSAO-JHJVBQTASA-N 1 0 229.364 1.750 40 0 BDABRO N[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424923 411164451 /nfs/dbraw/zinc/16/44/51/411164451.db2.gz JLMCDYSDCCEFAP-QMMMGPOBSA-N 1 0 205.088 1.952 40 0 BDABRO CC(C)n1nc(CN2CCCC2=O)c2c1C[NH2+]C2 ZINC000096259181 167785132 /nfs/dbraw/zinc/78/51/32/167785132.db2.gz IQLGRZYHRPTILP-UHFFFAOYSA-N 1 0 248.330 1.190 40 0 BDABRO CC1CC(C[NH3+])([C@H](O)c2ccccn2)C1 ZINC000085396218 168139209 /nfs/dbraw/zinc/13/92/09/168139209.db2.gz ZAJDFJGLZSJTGR-CKBZRRDASA-N 1 0 206.289 1.490 40 0 BDABRO CC(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000041997782 168179336 /nfs/dbraw/zinc/17/93/36/168179336.db2.gz IGLNYCWERDSTHY-UHFFFAOYSA-N 1 0 226.364 1.881 40 0 BDABRO CCOC(=O)[C@]12CCC[C@H]1[NH2+]CC=CC2 ZINC000019530249 170263271 /nfs/dbraw/zinc/26/32/71/170263271.db2.gz HZRXQOZZQMSECJ-ZYHUDNBSSA-N 1 0 209.289 1.638 40 0 BDABRO CCOC1(c2cnn(C)c2)CC[NH2+]CC1 ZINC000096525683 170320330 /nfs/dbraw/zinc/32/03/30/170320330.db2.gz AEKWUAIIWKSVMT-UHFFFAOYSA-N 1 0 209.293 1.035 40 0 BDABRO CCOCCC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219090 170380181 /nfs/dbraw/zinc/38/01/81/170380181.db2.gz PIGIANFZCGEGAX-LLVKDONJSA-N 1 0 245.363 1.980 40 0 BDABRO CCOCCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000163968171 170381676 /nfs/dbraw/zinc/38/16/76/170381676.db2.gz FNXSNCFZSSWOTK-UHFFFAOYSA-N 1 0 225.336 1.980 40 0 BDABRO CC(=O)Nn1c(N)[nH+]c2cc(C)ccc21 ZINC000017105643 411858581 /nfs/dbraw/zinc/85/85/81/411858581.db2.gz FQUADCZVORYXSE-UHFFFAOYSA-N 1 0 204.233 1.017 40 0 BDABRO CC[C@@H](C)[C@H]([NH3+])CN(C)Cc1cn(C)nc1C ZINC000096523963 170794878 /nfs/dbraw/zinc/79/48/78/170794878.db2.gz CIECQBFSPNZESK-ZWNOBZJWSA-N 1 0 238.379 1.534 40 0 BDABRO C[C@H]1CCCC[N@@H+]1Cc1cc(N)nn1C ZINC000408717135 411926607 /nfs/dbraw/zinc/92/66/07/411926607.db2.gz WDCJVLGDBRASLM-VIFPVBQESA-N 1 0 208.309 1.377 40 0 BDABRO CC[C@@H]1[NH2+]CCc2cc(OC)c(O)cc21 ZINC000004273391 171150647 /nfs/dbraw/zinc/15/06/47/171150647.db2.gz NVVVVRNMEOHFAM-JTQLQIEISA-N 1 0 207.273 1.998 40 0 BDABRO CCc1nnc2sc(C3CC[NH2+]CC3)nn12 ZINC000033466117 172068655 /nfs/dbraw/zinc/06/86/55/172068655.db2.gz RNOLFLOXLYDAQX-UHFFFAOYSA-N 1 0 237.332 1.215 40 0 BDABRO CCn1c(SC)nnc1[C@@H]1CCC[NH2+]C1 ZINC000005000659 172147769 /nfs/dbraw/zinc/14/77/69/172147769.db2.gz WRQDURBCYPSFLR-MRVPVSSYSA-N 1 0 226.349 1.487 40 0 BDABRO CCn1cc(C[NH2+]Cc2cccn2C)c(C)n1 ZINC000020351222 172172723 /nfs/dbraw/zinc/17/27/23/172172723.db2.gz LVHWJBRMSMYKOG-UHFFFAOYSA-N 1 0 232.331 1.840 40 0 BDABRO CCn1nc(C)c(CN(C)CC[NH2+]C)c1C ZINC000096523951 172244838 /nfs/dbraw/zinc/24/48/38/172244838.db2.gz LJLHOZXYTFTEKA-UHFFFAOYSA-N 1 0 224.352 1.171 40 0 BDABRO CCn1nc([C@@H](O)C2(C[NH3+])CCC2)cc1C ZINC000085395987 172250134 /nfs/dbraw/zinc/25/01/34/172250134.db2.gz GFHNXVALQIENKN-LLVKDONJSA-N 1 0 223.320 1.374 40 0 BDABRO CCn1ncc2c1C[NH2+]C[C@H]2COCC1CC1 ZINC000306134692 172257220 /nfs/dbraw/zinc/25/72/20/172257220.db2.gz NVJRSGNOUNFONO-NSHDSACASA-N 1 0 235.331 1.516 40 0 BDABRO CN(CC1(C)C[NH2+]C1)C(=O)OC(C)(C)C ZINC000083254919 172640178 /nfs/dbraw/zinc/64/01/78/172640178.db2.gz PNZOHZRCUPJUMN-UHFFFAOYSA-N 1 0 214.309 1.463 40 0 BDABRO C[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC000096261180 173002884 /nfs/dbraw/zinc/00/28/84/173002884.db2.gz PPAFTCIZBGQJOF-CYBMUJFWSA-N 1 0 244.338 1.755 40 0 BDABRO C[N@@H+]1CCCC[C@H]1c1cc(CCO)n[nH]1 ZINC000072381204 173009755 /nfs/dbraw/zinc/00/97/55/173009755.db2.gz XXOGHBRGSCXZLC-NSHDSACASA-N 1 0 209.293 1.101 40 0 BDABRO CN1CCC[N@H+](C[C@@H]2Cc3ccccc3N2)CC1 ZINC000096524009 173018242 /nfs/dbraw/zinc/01/82/42/173018242.db2.gz CQTKEIKVJHTPFH-AWEZNQCLSA-N 1 0 245.370 1.661 40 0 BDABRO C[N@@H+]1CCC[C@@H]1c1cncc(N2CCOC2=O)n1 ZINC000257332725 173037179 /nfs/dbraw/zinc/03/71/79/173037179.db2.gz XYJXYVJXAQDPRO-SNVBAGLBSA-N 1 0 248.286 1.200 40 0 BDABRO C[N@@H+]1CCCc2nc3ccccc3n2C1 ZINC000013215950 173062180 /nfs/dbraw/zinc/06/21/80/173062180.db2.gz XGDPLSSDVRDCJC-UHFFFAOYSA-N 1 0 201.273 1.872 40 0 BDABRO C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC000096209401 173189843 /nfs/dbraw/zinc/18/98/43/173189843.db2.gz SAAHLJISQUAILS-YPMHNXCESA-N 1 0 234.299 1.039 40 0 BDABRO C[NH2+]C1CCN([C@H](C)c2nccs2)CC1 ZINC000070733857 173324572 /nfs/dbraw/zinc/32/45/72/173324572.db2.gz ZIOSPPBTWVRMHR-SECBINFHSA-N 1 0 225.361 1.888 40 0 BDABRO C[NH2+]CCCNCc1cccc(OC)c1OC ZINC000008377213 173350066 /nfs/dbraw/zinc/35/00/66/173350066.db2.gz VAEPTQGKHMMDAV-UHFFFAOYSA-N 1 0 238.331 1.403 40 0 BDABRO C[NH2+]C[C@@H](O)c1ncccc1Br ZINC000083329100 173366333 /nfs/dbraw/zinc/36/63/33/173366333.db2.gz SQXPQRXMHBEMEF-SSDOTTSWSA-N 1 0 231.093 1.097 40 0 BDABRO C[NH2+]C[C@@H]1C[C@H]1CN1CCc2ccccc21 ZINC000096509391 173372505 /nfs/dbraw/zinc/37/25/05/173372505.db2.gz YIRZXPHYFPJYHG-STQMWFEESA-N 1 0 216.328 1.905 40 0 BDABRO C[NH2+]C[C@H](O)c1ccc(Br)cn1 ZINC000083329103 173377335 /nfs/dbraw/zinc/37/73/35/173377335.db2.gz SCOADPCJDMVGQB-QMMMGPOBSA-N 1 0 231.093 1.097 40 0 BDABRO C[NH2+]C[C@H](OC)c1ccc(F)cc1F ZINC000062711477 173378292 /nfs/dbraw/zinc/37/82/92/173378292.db2.gz MZSYKMOADZXACJ-JTQLQIEISA-N 1 0 201.216 1.872 40 0 BDABRO C[NH2+][C@@H](C(N)=O)c1cc(Cl)cc(Cl)c1 ZINC000037869827 173412345 /nfs/dbraw/zinc/41/23/45/173412345.db2.gz DNXDJOWGZCKITP-MRVPVSSYSA-N 1 0 233.098 1.739 40 0 BDABRO C[NH2+][C@H]1CCc2c1ccc(OC)c2OC ZINC000042405195 173467943 /nfs/dbraw/zinc/46/79/43/173467943.db2.gz IJMQNRQFTPOIEM-JTQLQIEISA-N 1 0 207.273 1.911 40 0 BDABRO COC(=O)[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000035133349 173771836 /nfs/dbraw/zinc/77/18/36/173771836.db2.gz BKFQOFXANZLMRR-AXFHLTTASA-N 1 0 213.321 1.964 40 0 BDABRO COC1CC2(C1)CC[NH+](Cc1nccn1C)CC2 ZINC000096159324 174019544 /nfs/dbraw/zinc/01/95/44/174019544.db2.gz LAASTMHOINRTKI-UHFFFAOYSA-N 1 0 249.358 1.811 40 0 BDABRO COCCCN(Cc1cccs1)C[C@H](C)[NH3+] ZINC000096523886 174226116 /nfs/dbraw/zinc/22/61/16/174226116.db2.gz YTEKXFGWTXFFPE-NSHDSACASA-N 1 0 242.388 1.934 40 0 BDABRO COCCC[NH2+]Cc1ccnn1C(F)F ZINC000256050661 174248459 /nfs/dbraw/zinc/24/84/59/174248459.db2.gz GAVIGOJVDPHZSG-UHFFFAOYSA-N 1 0 219.235 1.404 40 0 BDABRO COCCN(C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000041287764 174284176 /nfs/dbraw/zinc/28/41/76/174284176.db2.gz WKUQBDDWCPGCDB-GFCCVEGCSA-N 1 0 242.750 1.918 40 0 BDABRO COCCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000062610203 174312466 /nfs/dbraw/zinc/31/24/66/174312466.db2.gz VMVJJJQWCYNFFH-CYBMUJFWSA-N 1 0 220.316 1.279 40 0 BDABRO COCC[NH2+]Cc1ccc(CC(C)C)n1C ZINC000226020127 174336278 /nfs/dbraw/zinc/33/62/78/174336278.db2.gz NKUWXNYBJMCOHI-UHFFFAOYSA-N 1 0 224.348 1.960 40 0 BDABRO COCCNc1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072386636 174341862 /nfs/dbraw/zinc/34/18/62/174341862.db2.gz IHEPCZZSKYWUTM-JTQLQIEISA-N 1 0 221.304 1.564 40 0 BDABRO COc1cc(OC)cc(OC2CC[NH2+]CC2)c1 ZINC000020399693 175010463 /nfs/dbraw/zinc/01/04/63/175010463.db2.gz JEWCKDQOTCOSOH-UHFFFAOYSA-N 1 0 237.299 1.835 40 0 BDABRO COc1cc([C@@H](C[NH3+])OC)c(OC)cc1C ZINC000037627743 175013734 /nfs/dbraw/zinc/01/37/34/175013734.db2.gz VTEIFHQUZWABDE-GFCCVEGCSA-N 1 0 225.288 1.658 40 0 BDABRO COc1cc2c(cc1OC)[C@H](C[NH3+])CC2 ZINC000041216065 175025673 /nfs/dbraw/zinc/02/56/73/175025673.db2.gz IYJRUYCPCKOMAJ-VIFPVBQESA-N 1 0 207.273 1.692 40 0 BDABRO COc1ccc(C2=[NH+]C[C@@H](C)N2)c(O)c1 ZINC000005530265 175085600 /nfs/dbraw/zinc/08/56/00/175085600.db2.gz GSHCIAWYWVRHMS-SSDOTTSWSA-N 1 0 206.245 1.139 40 0 BDABRO COc1ccc(CCCN2CC[C@@H]([NH3+])C2)cc1 ZINC000096523486 175089354 /nfs/dbraw/zinc/08/93/54/175089354.db2.gz LOPALQJPUHTKSZ-CYBMUJFWSA-N 1 0 234.343 1.661 40 0 BDABRO COc1ccc(C[N@H+](CCO)C(C)C)cc1 ZINC000070125621 175096961 /nfs/dbraw/zinc/09/69/61/175096961.db2.gz AWJNPQQTTQDRIS-UHFFFAOYSA-N 1 0 223.316 1.898 40 0 BDABRO COc1ccc(F)c(CN2CCC[C@H]([NH3+])C2)c1 ZINC000038539920 175124749 /nfs/dbraw/zinc/12/47/49/175124749.db2.gz AEWHBCYDQWZFDG-NSHDSACASA-N 1 0 238.306 1.757 40 0 BDABRO COc1ccc(F)c([C@@H]2NC(=O)CC[C@@H]2[NH3+])c1 ZINC000019551249 175126906 /nfs/dbraw/zinc/12/69/06/175126906.db2.gz GNRWIYIZHULJGO-JQWIXIFHSA-N 1 0 238.262 1.113 40 0 BDABRO COc1ccc([C@H]2C[C@]2(C[NH3+])CO)c(OC)c1 ZINC000062713445 175198254 /nfs/dbraw/zinc/19/82/54/175198254.db2.gz CBWDXNOKMLDGHE-YPMHNXCESA-N 1 0 237.299 1.129 40 0 BDABRO COc1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC000098213822 175206576 /nfs/dbraw/zinc/20/65/76/175206576.db2.gz FFWQHFRPVWBDSX-UHFFFAOYSA-N 1 0 232.283 1.269 40 0 BDABRO COc1ccc2c(c1)C(=O)N[C@]1(CC[NH2+]C1)CC2 ZINC000019562084 175207026 /nfs/dbraw/zinc/20/70/26/175207026.db2.gz NOJSRUACDYFIDQ-AWEZNQCLSA-N 1 0 246.310 1.103 40 0 BDABRO COc1ccc2c(c1)CCC[C@H]([NH3+])[C@H]2O ZINC000008699479 175207969 /nfs/dbraw/zinc/20/79/69/175207969.db2.gz NRISILHIRDWJME-RYUDHWBXSA-N 1 0 207.273 1.392 40 0 BDABRO COc1ccc2c(c1)[C@@]1(CC[NH2+]1)CCO2 ZINC000306145817 175215513 /nfs/dbraw/zinc/21/55/13/175215513.db2.gz RGCQWYWRDFHAIY-GFCCVEGCSA-N 1 0 205.257 1.666 40 0 BDABRO COc1ccc2c(c1)c(=O)c1c(n2C)CC[NH2+]C1 ZINC000072221277 175218062 /nfs/dbraw/zinc/21/80/62/175218062.db2.gz VEJBKSIVGPJNJV-UHFFFAOYSA-N 1 0 244.294 1.193 40 0 BDABRO COc1cccc(CN2CC[C@H]([NH3+])C2)c1 ZINC000022942129 175260192 /nfs/dbraw/zinc/26/01/92/175260192.db2.gz YFXLADVUIYRKLL-NSHDSACASA-N 1 0 206.289 1.228 40 0 BDABRO COc1cccc([C@@H]2C[C@]2(C[NH3+])CO)c1 ZINC000062713382 175290759 /nfs/dbraw/zinc/29/07/59/175290759.db2.gz FUPQJSRJAKHGSY-RYUDHWBXSA-N 1 0 207.273 1.120 40 0 BDABRO COc1cccc([C@H]2CN(C)C[C@H]2[NH3+])c1OC ZINC000082331243 175295496 /nfs/dbraw/zinc/29/54/96/175295496.db2.gz ZKYQIWYYJQYSPJ-GHMZBOCLSA-N 1 0 236.315 1.060 40 0 BDABRO COc1cccc2c1OCC21CC[NH2+]CC1 ZINC000098213568 175303896 /nfs/dbraw/zinc/30/38/96/175303896.db2.gz QPCSESQEUIYERF-UHFFFAOYSA-N 1 0 219.284 1.709 40 0 BDABRO COc1ccccc1C[C@H](O)C[NH2+]CC(C)C ZINC000005962686 175333960 /nfs/dbraw/zinc/33/39/60/175333960.db2.gz SPBZJFIVZBXDEK-ZDUSSCGKSA-N 1 0 237.343 1.844 40 0 BDABRO COc1cccnc1O[C@H]1CCC[NH2+]C1 ZINC000095483723 175356887 /nfs/dbraw/zinc/35/68/87/175356887.db2.gz RIGPLEKVAMZBAG-VIFPVBQESA-N 1 0 208.261 1.221 40 0 BDABRO C[C@@H]1CCC[C@@H](C)[NH+]1CCS(C)(=O)=O ZINC000001662146 176115552 /nfs/dbraw/zinc/11/55/52/176115552.db2.gz QDDWZQDPYLIPRD-NXEZZACHSA-N 1 0 219.350 1.294 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)C1CCCCC1 ZINC000054370311 176325064 /nfs/dbraw/zinc/32/50/64/176325064.db2.gz VSXVMLBFACPHMD-SNVBAGLBSA-N 1 0 210.321 1.387 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)CCC1CCCC1 ZINC000054370228 176325119 /nfs/dbraw/zinc/32/51/19/176325119.db2.gz ZHXJDXUGYXFBBT-LLVKDONJSA-N 1 0 224.348 1.777 40 0 BDABRO C[C@@H]1C[NH2+]CCN1CCOc1ccc(F)cc1 ZINC000054371904 176327219 /nfs/dbraw/zinc/32/72/19/176327219.db2.gz RHADZQRHLVBUMA-LLVKDONJSA-N 1 0 238.306 1.498 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccccc1Cl ZINC000054369971 176327270 /nfs/dbraw/zinc/32/72/70/176327270.db2.gz QOHBYKMUXLHZFI-SECBINFHSA-N 1 0 238.718 1.774 40 0 BDABRO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccccc1 ZINC000019364815 176329030 /nfs/dbraw/zinc/32/90/30/176329030.db2.gz BNPHYNQCHNBJEL-VXGBXAGGSA-N 1 0 204.317 1.869 40 0 BDABRO C[C@@H]1[NH2+]CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000211672464 176458588 /nfs/dbraw/zinc/45/85/88/176458588.db2.gz CVCMTSFXNBEYEM-VHSXEESVSA-N 1 0 228.336 1.899 40 0 BDABRO C[C@H]1C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000096100129 177060390 /nfs/dbraw/zinc/06/03/90/177060390.db2.gz FSJKXTRSDQEWFT-XBFCOCLRSA-N 1 0 244.338 1.501 40 0 BDABRO C[C@H]1CC[NH2+]C[C@@H]1CNC(=O)OC(C)(C)C ZINC000084237606 177174479 /nfs/dbraw/zinc/17/44/79/177174479.db2.gz RNFPBXPQIJEINV-VHSXEESVSA-N 1 0 228.336 1.757 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)C1CCCCC1 ZINC000054370313 177282837 /nfs/dbraw/zinc/28/28/37/177282837.db2.gz VSXVMLBFACPHMD-JTQLQIEISA-N 1 0 210.321 1.387 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)/C=C/c1ccccc1 ZINC000054370067 177283123 /nfs/dbraw/zinc/28/31/23/177283123.db2.gz KYHWGZIOFZRZHA-GUOLPTJISA-N 1 0 230.311 1.520 40 0 BDABRO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccccc1 ZINC000001750992 177285971 /nfs/dbraw/zinc/28/59/71/177285971.db2.gz XAAAKCZAALLCJD-PHIMTYICSA-N 1 0 218.300 1.509 40 0 BDABRO C[C@H]1C[C@H]1C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC000096075382 177376543 /nfs/dbraw/zinc/37/65/43/177376543.db2.gz MAGYHAFKSNABKM-WDEREUQCSA-N 1 0 222.332 1.387 40 0 BDABRO CN1CCN(c2c(F)cccc2C[NH3+])CC1 ZINC000234361277 487796566 /nfs/dbraw/zinc/79/65/66/487796566.db2.gz XLQLQQNLIROZFJ-UHFFFAOYSA-N 1 0 223.295 1.036 40 0 BDABRO CC(C)Oc1ccc(CNCC[NH3+])cc1 ZINC000037712861 323107938 /nfs/dbraw/zinc/10/79/38/323107938.db2.gz CISNJOMYVUIJGB-UHFFFAOYSA-N 1 0 208.305 1.522 40 0 BDABRO Cn1nc(N)cc1C[NH+]1CCCCCC1 ZINC000257877497 324200776 /nfs/dbraw/zinc/20/07/76/324200776.db2.gz GOCRGOFKOLJTJE-UHFFFAOYSA-N 1 0 208.309 1.378 40 0 BDABRO C[C@H]([NH3+])c1nnc2ccc(-c3ccsc3)nn21 ZINC000328579730 490104242 /nfs/dbraw/zinc/10/42/42/490104242.db2.gz YNUNWAQAUHNNNY-ZETCQYMHSA-N 1 0 245.311 1.873 40 0 BDABRO CC(C)(C)OC(=O)C[C@@H]([NH3+])c1ccncc1 ZINC000222707194 518798352 /nfs/dbraw/zinc/79/83/52/518798352.db2.gz VECWZGKIELOINM-SNVBAGLBSA-N 1 0 222.288 1.813 40 0 BDABRO COc1ccc2c(C)cc(N(C)N)[nH+]c2c1 ZINC000199547077 525496857 /nfs/dbraw/zinc/49/68/57/525496857.db2.gz PQVPJNDHXVNNIN-UHFFFAOYSA-N 1 0 217.272 1.862 40 0 BDABRO C[C@@H]1[C@@H]([NH3+])C(=O)N1c1cccc2ccccc21 ZINC000225776823 525661965 /nfs/dbraw/zinc/66/19/65/525661965.db2.gz WMWHRXOHXCNIMQ-NOZJJQNGSA-N 1 0 226.279 1.902 40 0 BDABRO COc1cccc(C[NH2+]CC(=O)N2CCCC2)c1 ZINC000057551236 526011239 /nfs/dbraw/zinc/01/12/39/526011239.db2.gz MFONWWBCGSVKFN-UHFFFAOYSA-N 1 0 248.326 1.407 40 0 BDABRO C[C@@H](c1cnccn1)N1CCCC[C@H]1C[NH3+] ZINC000245224252 526157094 /nfs/dbraw/zinc/15/70/94/526157094.db2.gz TXAUAHKBMGAYJU-QWRGUYRKSA-N 1 0 220.320 1.351 40 0 BDABRO c1cnc(OCC[C@@H]2CCOC3(C[NH2+]C3)C2)cn1 ZINC000253596987 526542209 /nfs/dbraw/zinc/54/22/09/526542209.db2.gz YVIVPVWIUQTZIR-LLVKDONJSA-N 1 0 249.314 1.014 40 0 BDABRO [NH3+]CCc1ncc(Br)cc1F ZINC000146644110 527199494 /nfs/dbraw/zinc/19/94/94/527199494.db2.gz FRQYXUJUXGSCAP-UHFFFAOYSA-N 1 0 219.057 1.484 40 0 BDABRO [NH3+]C[C@@H]1C[C@H](C(F)(F)F)C[C@H]2OCC[C@H]21 ZINC000242688410 527220774 /nfs/dbraw/zinc/22/07/74/527220774.db2.gz VPKPDQBQCZBISA-XSPKLOCKSA-N 1 0 223.238 1.939 40 0 BDABRO [NH3+][C@@H]1C[C@H](C(F)(F)F)C[C@H]2OCC[C@@H]21 ZINC000242538742 527376529 /nfs/dbraw/zinc/37/65/29/527376529.db2.gz JDVVYQROBUQBAO-LXGUWJNJSA-N 1 0 209.211 1.691 40 0 BDABRO O=C(NC1CCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000069792363 527502340 /nfs/dbraw/zinc/50/23/40/527502340.db2.gz AMTSJEDQZROCGZ-JTQLQIEISA-N 1 0 208.305 1.045 40 0 BDABRO COc1ccccc1N1CC[NH+](C)CC1 ZINC000033994159 537068008 /nfs/dbraw/zinc/06/80/08/537068008.db2.gz ZYXMVSPWOATGIW-UHFFFAOYSA-N 1 0 206.289 1.447 40 0 BDABRO C[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290434 643730536 /nfs/dbraw/zinc/73/05/36/643730536.db2.gz SBZHKAOVUMLDKW-NEPJUHHUSA-N 1 0 224.348 1.777 40 0 BDABRO [NH3+]Cc1nccc(OC(F)F)c1Cl ZINC001504244723 963644522 /nfs/dbraw/zinc/64/45/22/963644522.db2.gz BZPFDUBTVLLNBR-UHFFFAOYSA-N 1 0 208.595 1.795 40 0 BDABRO CCS(=O)(=O)[C@@H]1[C@@H]([NH3+])[C@@H]1c1ccc(F)cc1 ZINC000218538548 398174450 /nfs/dbraw/zinc/17/44/50/398174450.db2.gz NKBPKNOHJPXKNO-DCAQKATOSA-N 1 0 243.303 1.054 40 0 BDABRO [NH3+]C[C@@H](c1ccccn1)N1CCCCC1 ZINC000019399287 398191726 /nfs/dbraw/zinc/19/17/26/398191726.db2.gz QIRZLLAMECDOKM-LBPRGKRZSA-N 1 0 205.305 1.567 40 0 BDABRO Cc1cc(N)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000095117404 178109518 /nfs/dbraw/zinc/10/95/18/178109518.db2.gz HZYREGVNUYPAJG-UHFFFAOYSA-N 1 0 244.298 1.727 40 0 BDABRO Cc1cc(N2CCC[NH2+]CC2)nc(C2CC2)n1 ZINC000096517007 178114367 /nfs/dbraw/zinc/11/43/67/178114367.db2.gz JBESAVFTFJACJN-UHFFFAOYSA-N 1 0 232.331 1.462 40 0 BDABRO Cc1cc([C@@H]2CCCC[NH2+]2)nc2nccn21 ZINC000257237796 178240043 /nfs/dbraw/zinc/24/00/43/178240043.db2.gz HIFMSTIGOPJPIH-JTQLQIEISA-N 1 0 216.288 1.852 40 0 BDABRO N[C@@H](c1noc(C2CC2)n1)[C@@H]1CCCO1 ZINC000070453719 259313878 /nfs/dbraw/zinc/31/38/78/259313878.db2.gz ZOQJUIAQKXXWOE-JGVFFNPUSA-N 1 0 209.249 1.126 40 0 BDABRO COc1cccc([C@@H](CO)[NH+](C)C)c1OC ZINC000070453272 259313933 /nfs/dbraw/zinc/31/39/33/259313933.db2.gz ZNDPEDUPOZHMTK-SNVBAGLBSA-N 1 0 225.288 1.299 40 0 BDABRO [NH3+]Cc1ccc(Oc2ccccc2CO)nc1 ZINC000070453876 259314178 /nfs/dbraw/zinc/31/41/78/259314178.db2.gz AMYVEIFCZQPTGH-UHFFFAOYSA-N 1 0 230.267 1.825 40 0 BDABRO C[C@H]([NH3+])[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000072208289 259315545 /nfs/dbraw/zinc/31/55/45/259315545.db2.gz MBRQITQWIPVHIS-JQWIXIFHSA-N 1 0 220.316 1.596 40 0 BDABRO CC(=O)Nc1cccc2c[n+](C)c(C)cc21 ZINC000001578091 342704011 /nfs/dbraw/zinc/70/40/11/342704011.db2.gz NZUKHYJJRJIAMV-UHFFFAOYSA-O 1 0 215.276 1.931 40 0 BDABRO COC(CCC[NH2+]CCCC(OC)OC)OC ZINC000001581759 342704292 /nfs/dbraw/zinc/70/42/92/342704292.db2.gz DDQYFUIDTKXNDL-UHFFFAOYSA-N 1 0 249.351 1.374 40 0 BDABRO CCOC(=O)[C@H](N)C(C)(C)[NH+]1CCCCC1 ZINC000072210591 259317294 /nfs/dbraw/zinc/31/72/94/259317294.db2.gz FNWPDSVHYCORSE-JTQLQIEISA-N 1 0 228.336 1.141 40 0 BDABRO CCN(CC)CCNC(=[NH2+])c1ccccc1 ZINC000001685205 342709044 /nfs/dbraw/zinc/70/90/44/342709044.db2.gz PJOQKQZFNJNIND-UHFFFAOYSA-N 1 0 219.332 1.943 40 0 BDABRO C[C@H]1N[C@]1(c1ccccc1)[n+]1ccccc1 ZINC000001728231 342711313 /nfs/dbraw/zinc/71/13/13/342711313.db2.gz USCBUFBCRYMHLK-OCCSQVGLSA-N 1 0 211.288 1.667 40 0 BDABRO Nc1c2ccccc2oc(=O)c1C[NH+]1CCCC1 ZINC000003850680 342738467 /nfs/dbraw/zinc/73/84/67/342738467.db2.gz DORGWZKWKJZLJH-UHFFFAOYSA-N 1 0 244.294 1.971 40 0 BDABRO C[NH+]1C(C)(C)CC(NS(C)(=O)=O)CC1(C)C ZINC000005482192 342764572 /nfs/dbraw/zinc/76/45/72/342764572.db2.gz NLUQOWVEEDSUNX-UHFFFAOYSA-N 1 0 248.392 1.187 40 0 BDABRO Cn1c2ccccc2nc1N1CCC([NH3+])CC1 ZINC000043220325 342790858 /nfs/dbraw/zinc/79/08/58/342790858.db2.gz UOPRCTVQDPOJNY-UHFFFAOYSA-N 1 0 230.315 1.501 40 0 BDABRO Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1CO ZINC000072223698 259321571 /nfs/dbraw/zinc/32/15/71/259321571.db2.gz XPCGOICVBQILRN-UHFFFAOYSA-N 1 0 249.358 1.413 40 0 BDABRO C=Cc1ccc(N2CC[NH2+]CC2)nc1C ZINC000072224632 259321730 /nfs/dbraw/zinc/32/17/30/259321730.db2.gz XNXFGQIRJRNYSR-UHFFFAOYSA-N 1 0 203.289 1.443 40 0 BDABRO C[NH+](C)CCCNC(=O)/C=C/c1ccccc1 ZINC000005342162 398301968 /nfs/dbraw/zinc/30/19/68/398301968.db2.gz APHLGEOHDRWCGB-MDZDMXLPSA-N 1 0 232.327 1.768 40 0 BDABRO O[C@H]1CCC[NH2+][C@H]1Cc1ccc(Cl)cc1 ZINC000075152806 342882682 /nfs/dbraw/zinc/88/26/82/342882682.db2.gz ARQOWNBIRVRIPQ-RYUDHWBXSA-N 1 0 225.719 1.995 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1cccs1 ZINC000217670925 398322626 /nfs/dbraw/zinc/32/26/26/398322626.db2.gz NSVKEPSAPPWVRX-IUCAKERBSA-N 1 0 225.313 1.566 40 0 BDABRO CCS(=O)(=O)[C@@H]1[C@@H]([NH3+])[C@@H]1c1ccc(C)cc1 ZINC000218418286 398327662 /nfs/dbraw/zinc/32/76/62/398327662.db2.gz RHJJQEUGCMQWRN-SRVKXCTJSA-N 1 0 239.340 1.223 40 0 BDABRO CCc1ccc([C@@H]2[C@@H]([NH3+])[C@@H]2S(C)(=O)=O)cc1 ZINC000218452747 398327751 /nfs/dbraw/zinc/32/77/51/398327751.db2.gz AIPMMWQRUVROCI-IJLUTSLNSA-N 1 0 239.340 1.087 40 0 BDABRO Clc1ccccc1CN1C[C@H]2C[C@@H]1C[NH2+]2 ZINC000019796102 342958200 /nfs/dbraw/zinc/95/82/00/342958200.db2.gz RUCVFCCPYNTBEC-GHMZBOCLSA-N 1 0 222.719 1.886 40 0 BDABRO Cc1nc(CN2CC[NH2+]CC2)sc1C ZINC000019944422 342963965 /nfs/dbraw/zinc/96/39/65/342963965.db2.gz CJQGDIQTGBEPDU-UHFFFAOYSA-N 1 0 211.334 1.165 40 0 BDABRO [NH3+][C@H](CO)Cc1cccc2ccccc21 ZINC000043193623 342996797 /nfs/dbraw/zinc/99/67/97/342996797.db2.gz IOXYAALIVGXTGR-LBPRGKRZSA-N 1 0 201.269 1.702 40 0 BDABRO O=C(CC[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000036757354 349743403 /nfs/dbraw/zinc/74/34/03/349743403.db2.gz FODMZFCCZFAMDT-GFCCVEGCSA-N 1 0 224.348 1.779 40 0 BDABRO C[NH2+][C@@H](CO)c1ccc(OC(F)(F)F)cc1 ZINC000038121251 259344634 /nfs/dbraw/zinc/34/46/34/259344634.db2.gz UNYVLNYMQQMEHA-VIFPVBQESA-N 1 0 235.205 1.838 40 0 BDABRO O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@H]1CCC[N@H+]13 ZINC000031460486 343219825 /nfs/dbraw/zinc/21/98/25/343219825.db2.gz NBGOALXYAZVRPS-FOGDFJRCSA-N 1 0 203.241 1.015 40 0 biogenic,in-vitro BDABRO CC(=O)N1CCN[C@@H](c2ccccc2)C1(C)C ZINC000031962370 343227004 /nfs/dbraw/zinc/22/70/04/343227004.db2.gz UHWZTDBZPTYYLU-ZDUSSCGKSA-N 1 0 232.327 1.958 40 0 BDABRO O=C(c1cccs1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000033426513 343253993 /nfs/dbraw/zinc/25/39/93/343253993.db2.gz BROUBNXQQQIFHE-GFCCVEGCSA-N 1 0 236.340 1.574 40 0 BDABRO Cc1ccc(CN(CC[NH3+])C2CC2)cc1 ZINC000032010390 343290926 /nfs/dbraw/zinc/29/09/26/343290926.db2.gz DLZGKJSVRYNJMG-UHFFFAOYSA-N 1 0 204.317 1.918 40 0 BDABRO CC(C)N(CC[NH3+])Cc1ccc(F)cc1 ZINC000032012411 343291296 /nfs/dbraw/zinc/29/12/96/343291296.db2.gz WSSKKSCARMMASU-UHFFFAOYSA-N 1 0 210.296 1.995 40 0 BDABRO CCN(CC)CC[NH2+]C1CCOCC1 ZINC000036304009 343314780 /nfs/dbraw/zinc/31/47/80/343314780.db2.gz CDYPJRSSWDJFKT-UHFFFAOYSA-N 1 0 200.326 1.097 40 0 BDABRO CCN(Cc1ccccc1OC)C(=O)C[NH3+] ZINC000076611188 343366650 /nfs/dbraw/zinc/36/66/50/343366650.db2.gz FUMOTNHUIFTBQN-UHFFFAOYSA-N 1 0 222.288 1.002 40 0 BDABRO CCN(Cc1ccc(C)cc1)C(=O)[C@H](C)[NH3+] ZINC000079420291 343400216 /nfs/dbraw/zinc/40/02/16/343400216.db2.gz LSJMMJCEGWNIGU-NSHDSACASA-N 1 0 220.316 1.691 40 0 BDABRO COC(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)OC ZINC000047219076 343559081 /nfs/dbraw/zinc/55/90/81/343559081.db2.gz NPGBSFXUQKOYSB-VIFPVBQESA-N 1 0 247.335 1.173 40 0 BDABRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000084237644 343585311 /nfs/dbraw/zinc/58/53/11/343585311.db2.gz JXSABJPGAQYNHM-VHSXEESVSA-N 1 0 228.336 1.838 40 0 BDABRO CC[NH+]1CCC(n2cccc(N)c2=O)CC1 ZINC000095097358 346968986 /nfs/dbraw/zinc/96/89/86/346968986.db2.gz NUIMEXUDMKLEKM-UHFFFAOYSA-N 1 0 221.304 1.087 40 0 BDABRO CCN(Cc1cn(CC)nc1C)C[C@H](C)[NH3+] ZINC000096523899 343758586 /nfs/dbraw/zinc/75/85/86/343758586.db2.gz ZMGIJVHYNRRDHE-JTQLQIEISA-N 1 0 224.352 1.381 40 0 BDABRO O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC1 ZINC000396164514 343811083 /nfs/dbraw/zinc/81/10/83/343811083.db2.gz NULMEWFYSKMHAA-URLYPYJESA-N 1 0 224.304 1.502 40 0 BDABRO COC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000395945390 343811181 /nfs/dbraw/zinc/81/11/81/343811181.db2.gz HMFJHULFPFXJEC-RYUDHWBXSA-N 1 0 240.347 1.156 40 0 BDABRO C[NH2+]CCCc1cnn(CCOC(C)(C)C)c1 ZINC000575623333 343875635 /nfs/dbraw/zinc/87/56/35/343875635.db2.gz JYDXYKYOCKGRAB-UHFFFAOYSA-N 1 0 239.363 1.850 40 0 BDABRO NCC(F)(C[NH3+])Cc1ccc(Cl)cc1 ZINC000585142303 344174839 /nfs/dbraw/zinc/17/48/39/344174839.db2.gz WEIPKQNHDNLYHY-UHFFFAOYSA-N 1 0 216.687 1.508 40 0 BDABRO CC(C)[C@H]1CCC(=O)N1[C@H]1CCC[NH2+]C1 ZINC000256054292 344146763 /nfs/dbraw/zinc/14/67/63/344146763.db2.gz VSYYGCWDQMHTMI-WDEREUQCSA-N 1 0 210.321 1.385 40 0 BDABRO C[C@@H]1CC[C@@H](C[NH3+])CN1C(=O)OC(C)(C)C ZINC000084237630 344368258 /nfs/dbraw/zinc/36/82/58/344368258.db2.gz XNAMFDCOLGVSON-ZJUUUORDSA-N 1 0 228.336 1.981 40 0 BDABRO CC(C)C[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC000096076127 344366550 /nfs/dbraw/zinc/36/65/50/344366550.db2.gz NAANVEHYGWXDKY-AWEZNQCLSA-N 1 0 246.358 1.787 40 0 BDABRO Cc1cc([C@H]2CCCC[N@H+]2C)c[nH]c1=O ZINC000072217972 344514065 /nfs/dbraw/zinc/51/40/65/344514065.db2.gz CEHJVFUALXIYEK-LLVKDONJSA-N 1 0 206.289 1.840 40 0 BDABRO O=C1C=CC[C@@H]2[C@@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@H]34 ZINC000033815336 344953005 /nfs/dbraw/zinc/95/30/05/344953005.db2.gz AAGFPTSOPGCENQ-RMRHIDDWSA-N 1 0 246.354 1.648 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(C)c1 ZINC000067173365 345716310 /nfs/dbraw/zinc/71/63/10/345716310.db2.gz IRQBRAFXEUYDDN-NWDGAFQWSA-N 1 0 219.284 1.471 40 0 BDABRO CCC[NH2+]Cc1c(CO)cnc(C)c1O ZINC000164003743 345781561 /nfs/dbraw/zinc/78/15/61/345781561.db2.gz RQOVUAXOPQBZPP-UHFFFAOYSA-N 1 0 210.277 1.088 40 0 BDABRO Cc1cccc(NC[C@@H](CO)[C@@H]2CCOC2)[nH+]1 ZINC000281062028 179146246 /nfs/dbraw/zinc/14/62/46/179146246.db2.gz SZFIPFLPCVOFIV-NEPJUHHUSA-N 1 0 236.315 1.447 40 0 BDABRO Cc1cccc(N[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC000106980408 179157856 /nfs/dbraw/zinc/15/78/56/179157856.db2.gz NEWIHMPRBHSVJE-KGLIPLIRSA-N 1 0 232.327 1.928 40 0 BDABRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC000097759036 347285927 /nfs/dbraw/zinc/28/59/27/347285927.db2.gz LXHKJNUHNLXPDI-VHSXEESVSA-N 1 0 228.336 1.981 40 0 BDABRO Cc1cccc2[nH]cc([C@H](O)CC[NH3+])c21 ZINC000082380336 179207707 /nfs/dbraw/zinc/20/77/07/179207707.db2.gz QEZDPRFBGVJZSI-LLVKDONJSA-N 1 0 204.273 1.859 40 0 BDABRO CNc1nc([C@H]2CCC[NH2+]C2)cn2cccc12 ZINC000205689066 348575493 /nfs/dbraw/zinc/57/54/93/348575493.db2.gz FOCZHMZMIOTCCL-JTQLQIEISA-N 1 0 230.315 1.843 40 0 BDABRO CCCC[C@@H](CC)COC[C@@H](O)C[NH3+] ZINC000020513497 348651966 /nfs/dbraw/zinc/65/19/66/348651966.db2.gz ZTFVNXZDADBUST-MNOVXSKESA-N 1 0 203.326 1.539 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000038539906 348705269 /nfs/dbraw/zinc/70/52/69/348705269.db2.gz HHKDIWCFUJSZFU-NSHDSACASA-N 1 0 226.270 1.888 40 0 BDABRO c1ccc(N[C@H]2CO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000306123342 538042733 /nfs/dbraw/zinc/04/27/33/538042733.db2.gz AKOZROPGJXWSAW-OLZOCXBDSA-N 1 0 218.300 1.620 40 0 BDABRO c1ncn2c1C[NH2+]C[C@@H](COc1cccnc1)C2 ZINC000306124465 538043276 /nfs/dbraw/zinc/04/32/76/538043276.db2.gz BQNIHKBWZGVAEJ-LLVKDONJSA-N 1 0 244.298 1.077 40 0 BDABRO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N2CCCC2)n1 ZINC000072386398 180043995 /nfs/dbraw/zinc/04/39/95/180043995.db2.gz CHJVQUHMXNBIBW-GFCCVEGCSA-N 1 0 246.358 1.852 40 0 BDABRO Cc1nccn1-c1nccnc1[C@@H]1CCC[NH2+]C1 ZINC000072348376 180230621 /nfs/dbraw/zinc/23/06/21/180230621.db2.gz IUFACSBXNGWJAL-LLVKDONJSA-N 1 0 243.314 1.438 40 0 BDABRO Cc1ncnc2c1CC[N@@H+](C1CCOCC1)CC2 ZINC000096254995 180290406 /nfs/dbraw/zinc/29/04/06/180290406.db2.gz RBVAQACTRMKBSB-UHFFFAOYSA-N 1 0 247.342 1.365 40 0 BDABRO Cn1cc([C@H](CO)[NH2+]Cc2ccccc2)cn1 ZINC000038111020 350307262 /nfs/dbraw/zinc/30/72/62/350307262.db2.gz ZFQNBKUMRKZNHA-ZDUSSCGKSA-N 1 0 231.299 1.243 40 0 BDABRO Cc1nn(C)cc1CN(C)C[C@@H]([NH3+])CC(C)C ZINC000096523760 180372210 /nfs/dbraw/zinc/37/22/10/180372210.db2.gz NQJCNCXEKJAXKL-ZDUSSCGKSA-N 1 0 238.379 1.534 40 0 BDABRO CC[N@H+]1CC=C(c2nn3c(C)nnc3s2)CC1 ZINC000073636219 350760038 /nfs/dbraw/zinc/76/00/38/350760038.db2.gz ZQRMVIHPKARZJE-UHFFFAOYSA-N 1 0 249.343 1.603 40 0 BDABRO CC[n+]1ccc(-c2nn3c(C)nnc3s2)cc1 ZINC000226773699 187637593 /nfs/dbraw/zinc/63/75/93/187637593.db2.gz OYEGBSHLBUNTBX-UHFFFAOYSA-N 1 0 246.319 1.469 40 0 BDABRO Cn1nccc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000020349272 180844542 /nfs/dbraw/zinc/84/45/42/180844542.db2.gz DHUCGEULTGEQFN-UHFFFAOYSA-N 1 0 237.253 1.988 40 0 BDABRO C[C@H]1[NH+]=C(N2CCOCC2)Nc2ccccc21 ZINC000005722418 188278002 /nfs/dbraw/zinc/27/80/02/188278002.db2.gz DQUKSPJSMVJPLS-SNVBAGLBSA-N 1 0 231.299 1.671 40 0 BDABRO O=c1[nH]c([C@@H]2CC[NH2+]C2)cc2ncccc21 ZINC000019345434 188280526 /nfs/dbraw/zinc/28/05/26/188280526.db2.gz XOVXBERVUMWZLU-MRVPVSSYSA-N 1 0 215.256 1.000 40 0 BDABRO CC(=O)N(C[C@@H]1CCCC[N@@H+]1CCO)C(C)C ZINC000079416519 188291933 /nfs/dbraw/zinc/29/19/33/188291933.db2.gz YHATVSHLKLEILE-ZDUSSCGKSA-N 1 0 242.363 1.090 40 0 BDABRO CC(C)N(C(=O)[C@H](C)[NH3+])[C@H](C)c1ccccn1 ZINC000079421820 188292024 /nfs/dbraw/zinc/29/20/24/188292024.db2.gz RIGKYCULGKAMPQ-WDEREUQCSA-N 1 0 235.331 1.727 40 0 BDABRO CC(C)N(C(=O)C[NH3+])[C@@H](C)c1ccccn1 ZINC000079421795 188292138 /nfs/dbraw/zinc/29/21/38/188292138.db2.gz KGHHYZITXYEQKX-JTQLQIEISA-N 1 0 221.304 1.338 40 0 BDABRO CC(C)N(CC[NH3+])Cc1ccc(Cl)nn1 ZINC000079422389 188292252 /nfs/dbraw/zinc/29/22/52/188292252.db2.gz GLSHFYZHXGQSHD-UHFFFAOYSA-N 1 0 228.727 1.299 40 0 BDABRO C[C@H]1CN(C(=O)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000062619114 188303083 /nfs/dbraw/zinc/30/30/83/188303083.db2.gz WDVBCUPJKFNTEH-VIFPVBQESA-N 1 0 238.718 1.774 40 0 BDABRO CSc1nccc(OC[C@@H]2CCCC[NH2+]2)n1 ZINC000072203139 188306579 /nfs/dbraw/zinc/30/65/79/188306579.db2.gz OEXBUMVYDGVEBP-VIFPVBQESA-N 1 0 239.344 1.719 40 0 BDABRO C=Cn1cc(C[N@@H+]2CCC[C@@H](CO)C2)c(C)n1 ZINC000072397826 188306666 /nfs/dbraw/zinc/30/66/66/188306666.db2.gz ANTCZZJIITYNDD-GFCCVEGCSA-N 1 0 235.331 1.496 40 0 BDABRO CC(=O)Nc1c(C)ccc2c1ccc[n+]2C ZINC000072193707 188306854 /nfs/dbraw/zinc/30/68/54/188306854.db2.gz MSXLNVAQOSJNNU-UHFFFAOYSA-O 1 0 215.276 1.931 40 0 BDABRO CC(C)c1ncc(C[N@@H+]2CCC[C@H](CO)C2)cn1 ZINC000072397874 188307255 /nfs/dbraw/zinc/30/72/55/188307255.db2.gz FNGFLGZHJBZYIT-LBPRGKRZSA-N 1 0 249.358 1.804 40 0 BDABRO CC(C)(C)OC(=O)N1CCCC[C@](O)(C[NH3+])C1 ZINC000096895056 188322059 /nfs/dbraw/zinc/32/20/59/188322059.db2.gz GOTNKKDJDLFKAL-LBPRGKRZSA-N 1 0 244.335 1.097 40 0 BDABRO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082325708 188312619 /nfs/dbraw/zinc/31/26/19/188312619.db2.gz OPMVFKFQZWUDQY-LLVKDONJSA-N 1 0 248.326 1.976 40 0 BDABRO CC(C)[C@H]([NH3+])c1nnc(-c2ccncc2)[nH]1 ZINC000095534694 188320476 /nfs/dbraw/zinc/32/04/76/188320476.db2.gz JXPRZUKVDIHMPL-VIFPVBQESA-N 1 0 217.276 1.523 40 0 BDABRO O=[N+]1C(c2ccccc2)=CN(O)[C@H]2CCCC[C@H]21 ZINC000169302066 188338045 /nfs/dbraw/zinc/33/80/45/188338045.db2.gz HHSCFCYOSJBGHY-QWHCGFSZSA-N 1 0 244.294 1.892 40 0 BDABRO CC[C@@H](C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000019395768 188354663 /nfs/dbraw/zinc/35/46/63/188354663.db2.gz NJVQYOMNNOYWHE-CYBMUJFWSA-N 1 0 232.327 1.612 40 0 BDABRO CNC(=O)c1cccc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000257309634 188370329 /nfs/dbraw/zinc/37/03/29/188370329.db2.gz UBSYWXVMNBXDHU-ZDUSSCGKSA-N 1 0 247.342 1.987 40 0 BDABRO Cc1nccc(C2C[NH+](C3CCOCC3)C2)n1 ZINC000257320621 188370666 /nfs/dbraw/zinc/37/06/66/188370666.db2.gz VXOZLSCGQOVZQN-UHFFFAOYSA-N 1 0 233.315 1.363 40 0 BDABRO [NH2+]=C(CN1CCCCC1)N1CCCCC1 ZINC000001733271 181185135 /nfs/dbraw/zinc/18/51/35/181185135.db2.gz DJQMUZRUDSQWOX-UHFFFAOYSA-N 1 0 209.337 1.935 40 0 BDABRO NC(=[NH2+])c1cc(Br)ccc1N ZINC000116938180 181193906 /nfs/dbraw/zinc/19/39/06/181193906.db2.gz MZCKACPWIMXCNW-UHFFFAOYSA-N 1 0 214.066 1.315 40 0 BDABRO NC(N)=[NH+]N1Cc2c(c(Cl)ccc2Cl)C1 ZINC000000000886 181191497 /nfs/dbraw/zinc/19/14/97/181191497.db2.gz DFKHOVYSCCPSHR-UHFFFAOYSA-N 1 0 245.113 1.707 40 0 in-man BDABRO NC(=O)C1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC000096028444 181214036 /nfs/dbraw/zinc/21/40/36/181214036.db2.gz CPKMWFWOWKGLEW-UHFFFAOYSA-N 1 0 236.290 1.223 40 0 BDABRO NC(=O)C1([NH2+]Cc2ccncc2)CCCCC1 ZINC000096102456 181215314 /nfs/dbraw/zinc/21/53/14/181215314.db2.gz VWDGAJBVXITZRX-UHFFFAOYSA-N 1 0 233.315 1.359 40 0 BDABRO NC(=O)C[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000005517423 181235895 /nfs/dbraw/zinc/23/58/95/181235895.db2.gz AJZXROTWVVJKHW-UHFFFAOYSA-N 1 0 222.332 1.278 40 0 BDABRO CC[C@H](C)[N@H+](C1CC1)[C@H]1CNCC[C@]1(C)O ZINC000685936322 538754448 /nfs/dbraw/zinc/75/44/48/538754448.db2.gz QMSBJDKRCKCHIB-DRZSPHRISA-N 1 0 226.364 1.362 40 0 BDABRO CSCC[C@H]([NH3+])C(=O)N1CCCCCC1 ZINC000040457869 358670805 /nfs/dbraw/zinc/67/08/05/358670805.db2.gz UTJVLMZRCMMAHI-JTQLQIEISA-N 1 0 230.377 1.469 40 0 BDABRO CCOc1ccc([C@H]2C[NH2+]C[C@H]2CO)cc1 ZINC000396932586 359884662 /nfs/dbraw/zinc/88/46/62/359884662.db2.gz YTYRNRUFRJALTM-WCQYABFASA-N 1 0 221.300 1.381 40 0 BDABRO [NH3+]C(CO)(c1ccccc1)c1ccccc1 ZINC000001600926 181322600 /nfs/dbraw/zinc/32/26/00/181322600.db2.gz XDPKQBFYLNZTHZ-UHFFFAOYSA-N 1 0 213.280 1.881 40 0 BDABRO C[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207643 259523547 /nfs/dbraw/zinc/52/35/47/259523547.db2.gz CWISESPKYLRZOQ-NXEZZACHSA-N 1 0 228.336 1.994 40 0 BDABRO CNC(=O)C[C@H](c1ccccc1)C1CC[NH2+]CC1 ZINC000072208356 259523668 /nfs/dbraw/zinc/52/36/68/259523668.db2.gz XFINCUOTMRNZAA-CQSZACIVSA-N 1 0 246.354 1.906 40 0 BDABRO c1cc(N2CCOCC2)ncc1C1=[NH+]CCC1 ZINC000072216143 259527697 /nfs/dbraw/zinc/52/76/97/259527697.db2.gz KEKPPTOVXUZEJA-UHFFFAOYSA-N 1 0 231.299 1.501 40 0 BDABRO NCC[N@@H+]1CCC[C@H]1CCCn1cccn1 ZINC000022763155 181391772 /nfs/dbraw/zinc/39/17/72/181391772.db2.gz VKLFHQOQSBLRNB-LBPRGKRZSA-N 1 0 222.336 1.086 40 0 BDABRO [NH3+]CCNCc1cccc2ccccc21 ZINC000037712259 181396670 /nfs/dbraw/zinc/39/66/70/181396670.db2.gz QRNYLVMUJRSIMH-UHFFFAOYSA-N 1 0 200.285 1.888 40 0 BDABRO FC(F)(F)CN1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000225717242 259541584 /nfs/dbraw/zinc/54/15/84/259541584.db2.gz UMQQIUAWJQDGNR-SFYZADRCSA-N 1 0 208.227 1.375 40 0 BDABRO C[C@@H](c1ccccc1)n1cncc1C[NH3+] ZINC000075126454 370089893 /nfs/dbraw/zinc/08/98/93/370089893.db2.gz NTMGAJMPNOYSEM-JTQLQIEISA-N 1 0 201.273 1.951 40 0 BDABRO O=C(C[NH2+]C1CC1)Nc1cccc(F)c1 ZINC000019269790 371129150 /nfs/dbraw/zinc/12/91/50/371129150.db2.gz MPKDNCNKPAFQAR-UHFFFAOYSA-N 1 0 208.236 1.516 40 0 BDABRO C[NH2+]C[C@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C ZINC000252492949 259547101 /nfs/dbraw/zinc/54/71/01/259547101.db2.gz MYCOBMTYLKGGMC-RKDXNWHRSA-N 1 0 232.299 1.553 40 0 BDABRO OC[C@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000215720492 371619986 /nfs/dbraw/zinc/61/99/86/371619986.db2.gz DXYYAFINPZAKJE-KOLCDFICSA-N 1 0 211.692 1.635 40 0 BDABRO O=C(C[C@@H]1CCC[NH2+]C1)OCC(F)(F)F ZINC000096510327 182018815 /nfs/dbraw/zinc/01/88/15/182018815.db2.gz UGBHFOWBTIOKRK-ZETCQYMHSA-N 1 0 225.210 1.482 40 0 BDABRO O=C(C[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000054290525 182017913 /nfs/dbraw/zinc/01/79/13/182017913.db2.gz ZNIUHLSLGLOBGI-NSHDSACASA-N 1 0 210.321 1.389 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC000040434249 373262811 /nfs/dbraw/zinc/26/28/11/373262811.db2.gz DMJORKWIAMUALS-ZETCQYMHSA-N 1 0 231.752 1.720 40 0 BDABRO O=C(c1ccco1)N1CCC2(C1)CC[NH2+]CC2 ZINC000257747690 182685695 /nfs/dbraw/zinc/68/56/95/182685695.db2.gz ZXLUKFHGFTVYRA-UHFFFAOYSA-N 1 0 234.299 1.495 40 0 BDABRO OCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000059711729 183083134 /nfs/dbraw/zinc/08/31/34/183083134.db2.gz HPDHYAAFSGEZLK-UHFFFAOYSA-N 1 0 235.327 1.660 40 0 BDABRO OCC[C@@H]1C[NH2+]Cc2cccc(Cl)c21 ZINC000095884231 183094311 /nfs/dbraw/zinc/09/43/11/183094311.db2.gz WCMPXYYISLKSAY-SECBINFHSA-N 1 0 211.692 1.909 40 0 BDABRO CCCCn1cc([C@H](O)C2(C[NH3+])CCC2)cn1 ZINC000085395864 169036946 /nfs/dbraw/zinc/03/69/46/169036946.db2.gz LQYSOMRCYVIKRE-LBPRGKRZSA-N 1 0 237.347 1.846 40 0 BDABRO c1cc(-c2cnc3n2CC[C@@]32CC[NH2+]C2)co1 ZINC000306135208 183328759 /nfs/dbraw/zinc/32/87/59/183328759.db2.gz OLBIFCSALMOAMY-CYBMUJFWSA-N 1 0 229.283 1.778 40 0 BDABRO c1cc(-c2cccc(C3CC[NH2+]CC3)n2)n[nH]1 ZINC000257341346 183329623 /nfs/dbraw/zinc/32/96/23/183329623.db2.gz ZJYNVKZHMSLVSX-UHFFFAOYSA-N 1 0 228.299 1.939 40 0 BDABRO c1cc(CN2CCC3(C[NH2+]C3)C2)cs1 ZINC000096202792 183339526 /nfs/dbraw/zinc/33/95/26/183339526.db2.gz ZUPXEXRGMQNZMK-UHFFFAOYSA-N 1 0 208.330 1.543 40 0 BDABRO c1cn2c(cccc2[C@H]2CCC[NH2+]C2)n1 ZINC000082382061 183363398 /nfs/dbraw/zinc/36/33/98/183363398.db2.gz PFMNHWAGCRBKBK-JTQLQIEISA-N 1 0 201.273 1.801 40 0 BDABRO c1nc([C@@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000096524326 183387289 /nfs/dbraw/zinc/38/72/89/183387289.db2.gz JVQYLWYXJOZZLY-NSHDSACASA-N 1 0 214.272 1.692 40 0 BDABRO CCC[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000256055133 169265616 /nfs/dbraw/zinc/26/56/16/169265616.db2.gz ZIKKUVBMLASCKV-UHFFFAOYSA-N 1 0 221.226 1.939 40 0 BDABRO CCCOc1ccc([C@@H](O)CC[NH3+])cc1 ZINC000071511765 169321592 /nfs/dbraw/zinc/32/15/92/169321592.db2.gz QNSHAKCBVNRPQH-LBPRGKRZSA-N 1 0 209.289 1.858 40 0 BDABRO CC(C)(C)OC(=O)N1CC2(C1)CSC[C@H]2[NH3+] ZINC000306145301 166644742 /nfs/dbraw/zinc/64/47/42/166644742.db2.gz AWEASOFQSKWYED-MRVPVSSYSA-N 1 0 244.360 1.298 40 0 BDABRO c1ccc2c(c1)ncnc2OC1CC[NH2+]CC1 ZINC000051865663 383845227 /nfs/dbraw/zinc/84/52/27/383845227.db2.gz SCOKIRWASSBAFB-UHFFFAOYSA-N 1 0 229.283 1.761 40 0 BDABRO CC[N@H+](CCO)Cc1ccc(OC)cc1 ZINC000070125042 383863602 /nfs/dbraw/zinc/86/36/02/383863602.db2.gz IBWAKXPJJFIQFZ-UHFFFAOYSA-N 1 0 209.289 1.509 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccccn1 ZINC000035694973 383872093 /nfs/dbraw/zinc/87/20/93/383872093.db2.gz HKXMBRHRQZSLDA-KOLCDFICSA-N 1 0 221.304 1.242 40 0 BDABRO [NH3+]CCS(=O)(=O)Cc1cccc(Cl)c1 ZINC000036720668 383906971 /nfs/dbraw/zinc/90/69/71/383906971.db2.gz POTCPDFTTSFCML-UHFFFAOYSA-N 1 0 233.720 1.214 40 0 BDABRO [NH3+]Cc1[nH]nc2ccc(Br)cc21 ZINC000036533260 383903138 /nfs/dbraw/zinc/90/31/38/383903138.db2.gz UMXFIKCLHAXJFN-UHFFFAOYSA-N 1 0 226.077 1.784 40 0 BDABRO C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000067766229 384020563 /nfs/dbraw/zinc/02/05/63/384020563.db2.gz CZZZAQIBVXXNRC-UHFFFAOYSA-N 1 0 218.300 1.967 40 0 BDABRO C[C@]12C[N@H+](Cc3ccccc3)C[C@@H]1COC2=O ZINC000004203329 384044429 /nfs/dbraw/zinc/04/44/29/384044429.db2.gz WYYLGDWDFHKZPL-OCCSQVGLSA-N 1 0 231.295 1.682 40 0 BDABRO c1cnc(Nc2cncc([C@H]3CCC[NH2+]3)n2)cn1 ZINC000072376509 384034108 /nfs/dbraw/zinc/03/41/08/384034108.db2.gz QJNQHPALLZZBKQ-SECBINFHSA-N 1 0 242.286 1.435 40 0 BDABRO [NH3+]C[C@@H]1CC(c2cccc(Cl)c2)=NO1 ZINC000069978429 384070642 /nfs/dbraw/zinc/07/06/42/384070642.db2.gz GFUSKDVOLQNUOY-VIFPVBQESA-N 1 0 210.664 1.792 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000091302524 384116048 /nfs/dbraw/zinc/11/60/48/384116048.db2.gz LLTJKZQPTQJCDC-OUAUKWLOSA-N 1 0 240.347 1.981 40 0 BDABRO COC(=O)c1ccccc1CN1CC[NH2+][C@@H](C)C1 ZINC000039952501 384124409 /nfs/dbraw/zinc/12/44/09/384124409.db2.gz HENMLACWWZMQIX-NSHDSACASA-N 1 0 248.326 1.267 40 0 BDABRO C[C@@H]1[NH+]=C(N2CCOCC2)Nc2ccccc21 ZINC000005723601 384128331 /nfs/dbraw/zinc/12/83/31/384128331.db2.gz DQUKSPJSMVJPLS-JTQLQIEISA-N 1 0 231.299 1.671 40 0 BDABRO CCn1c(=O)c2cnccc2nc1[C@@H]1CCC[NH2+]1 ZINC000242548608 384131552 /nfs/dbraw/zinc/13/15/52/384131552.db2.gz LOZDEDFSSVYBQA-NSHDSACASA-N 1 0 244.298 1.236 40 0 BDABRO C[NH+](C)[C@H]1CCCC[C@H]1N(CCO)C1CC1 ZINC000079423142 384146433 /nfs/dbraw/zinc/14/64/33/384146433.db2.gz SQUWYBOMJCWVLV-QWHCGFSZSA-N 1 0 226.364 1.316 40 0 BDABRO CC(C)N(CC[NH3+])[C@@H](C)c1cnccn1 ZINC000079422331 384146841 /nfs/dbraw/zinc/14/68/41/384146841.db2.gz LTPCDOIJYWPWSZ-JTQLQIEISA-N 1 0 208.309 1.207 40 0 BDABRO [NH3+]CCc1nc(-c2c[nH]c3ccccc23)no1 ZINC000082350860 384207115 /nfs/dbraw/zinc/20/71/15/384207115.db2.gz BVLLESTXUSVUEB-UHFFFAOYSA-N 1 0 228.255 1.719 40 0 BDABRO CC(C)N(CN1C(=O)CSC1=O)C(C)C ZINC000408718310 384187659 /nfs/dbraw/zinc/18/76/59/384187659.db2.gz RDVKCIMDLTYUCT-UHFFFAOYSA-N 1 0 230.333 1.758 40 0 BDABRO Cc1ccc(C[C@@H]2CCC[N@H+](CCO)C2)nc1 ZINC000072381360 384216872 /nfs/dbraw/zinc/21/68/72/384216872.db2.gz JYZRDLACBYNHKP-ZDUSSCGKSA-N 1 0 234.343 1.637 40 0 BDABRO Cc1cc(CCC(N)=O)cc([C@H]2CCC[N@H+]2C)n1 ZINC000072382829 384219573 /nfs/dbraw/zinc/21/95/73/384219573.db2.gz HTHFSNMDEZNMCC-CYBMUJFWSA-N 1 0 247.342 1.575 40 0 BDABRO O=C1CCCN1c1cccc(C2CC[NH2+]CC2)n1 ZINC000072386716 384220540 /nfs/dbraw/zinc/22/05/40/384220540.db2.gz NXCHOKIUKPTKEG-UHFFFAOYSA-N 1 0 245.326 1.675 40 0 BDABRO Cc1nnc(CC[NH3+])n1Cc1ccccc1 ZINC000082369637 384225541 /nfs/dbraw/zinc/22/55/41/384225541.db2.gz OZBUJBKPZMCJJD-UHFFFAOYSA-N 1 0 216.288 1.136 40 0 BDABRO CC(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000074920972 384310767 /nfs/dbraw/zinc/31/07/67/384310767.db2.gz HVIVNAFOVSRLQT-UHFFFAOYSA-N 1 0 226.364 1.881 40 0 BDABRO CN(Cc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC000074707322 384300915 /nfs/dbraw/zinc/30/09/15/384300915.db2.gz BBJLZARLWSQLAW-UHFFFAOYSA-N 1 0 246.354 1.987 40 0 BDABRO Clc1ccccc1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000095864386 384401995 /nfs/dbraw/zinc/40/19/95/384401995.db2.gz RUCVFCCPYNTBEC-QWRGUYRKSA-N 1 0 222.719 1.886 40 0 BDABRO O=C(c1ccco1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000096216614 384444295 /nfs/dbraw/zinc/44/42/95/384444295.db2.gz LRXMSLRSYJUXGP-CYBMUJFWSA-N 1 0 234.299 1.495 40 0 BDABRO CC(C)C(=O)N1CC[C@@]2(CC[N@@H+]2CC2CC2)C1 ZINC000096228669 384447252 /nfs/dbraw/zinc/44/72/52/384447252.db2.gz QRXWRNDYILCRHC-CQSZACIVSA-N 1 0 236.359 1.729 40 0 BDABRO O=C1NCCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096046695 384427547 /nfs/dbraw/zinc/42/75/47/384427547.db2.gz FKWNBXWVCUPUPL-UHFFFAOYSA-N 1 0 245.326 1.184 40 0 BDABRO CO[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096048147 384428958 /nfs/dbraw/zinc/42/89/58/384428958.db2.gz VQNZPLDKSBGMOO-LBPRGKRZSA-N 1 0 225.332 1.666 40 0 BDABRO c1cncc(CN2CCO[C@]3(CCC[NH2+]C3)C2)c1 ZINC000096100163 384434978 /nfs/dbraw/zinc/43/49/78/384434978.db2.gz XRTVBCYHWFGELG-AWEZNQCLSA-N 1 0 247.342 1.036 40 0 BDABRO CCCC[NH+](CCCC)C[C@H](O)CO ZINC000001687121 384437074 /nfs/dbraw/zinc/43/70/74/384437074.db2.gz LQMJZQGFZJSAJH-NSHDSACASA-N 1 0 203.326 1.242 40 0 BDABRO c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CC2CC2)nc1 ZINC000096184839 384440281 /nfs/dbraw/zinc/44/02/81/384440281.db2.gz DNRDYYAXOYXYKL-OLZOCXBDSA-N 1 0 244.342 1.540 40 0 BDABRO CCOC[C@H]1C[N@@H+](C(C)C)Cc2nnn(C)c21 ZINC000096198522 384443414 /nfs/dbraw/zinc/44/34/14/384443414.db2.gz ZFZUHYPCCNXJJE-SNVBAGLBSA-N 1 0 238.335 1.159 40 0 BDABRO O=C(/C=C\c1ccccc1)N1CC[NH2+]CC1 ZINC000016951357 384476656 /nfs/dbraw/zinc/47/66/56/384476656.db2.gz DLCYXQODDJUHQL-SREVYHEPSA-N 1 0 216.284 1.132 40 0 BDABRO CCN(CC)c1cc(O[C@@H]2CC[NH2+]C2)ncn1 ZINC000079440208 384496549 /nfs/dbraw/zinc/49/65/49/384496549.db2.gz VDXNECSUJPQOLY-SNVBAGLBSA-N 1 0 236.319 1.064 40 0 BDABRO CCS(=O)(=O)c1cc(C[NH3+])ccc1C ZINC000082642207 384516010 /nfs/dbraw/zinc/51/60/10/384516010.db2.gz WZXGLPMGWAUROS-UHFFFAOYSA-N 1 0 213.302 1.247 40 0 BDABRO [NH3+]Cc1cccc(OCC(=O)N2CCCCC2)c1 ZINC000019816531 384542074 /nfs/dbraw/zinc/54/20/74/384542074.db2.gz GCQWAGILBFEYKR-UHFFFAOYSA-N 1 0 248.326 1.537 40 0 BDABRO CCOC[C@H]1C[NH2+]Cc2cnn(CC3CC3)c21 ZINC000306133986 384667511 /nfs/dbraw/zinc/66/75/11/384667511.db2.gz NBARMUVXRGVIQG-GFCCVEGCSA-N 1 0 235.331 1.516 40 0 BDABRO [NH3+]C[C@H](c1cccc(F)c1)N1CCCC1 ZINC000019259835 384660580 /nfs/dbraw/zinc/66/05/80/384660580.db2.gz GDHHNWNPIHRNHF-GFCCVEGCSA-N 1 0 208.280 1.921 40 0 BDABRO [NH3+][C@H](CO)Cc1cccc(C(F)(F)F)c1 ZINC000044463731 384734986 /nfs/dbraw/zinc/73/49/86/384734986.db2.gz ZAVKZFYOETWTIT-VIFPVBQESA-N 1 0 219.206 1.568 40 0 BDABRO COc1c(C)cccc1C[NH2+]C[C@@H](C)O ZINC000095094818 384960197 /nfs/dbraw/zinc/96/01/97/384960197.db2.gz CYJXVHPTBNTPIN-SNVBAGLBSA-N 1 0 209.289 1.474 40 0 BDABRO CCc1cc(N)ccc1N1CC[NH+](CC)CC1 ZINC000226315987 384971963 /nfs/dbraw/zinc/97/19/63/384971963.db2.gz ZUBYZXXCDCRGOI-UHFFFAOYSA-N 1 0 233.359 1.973 40 0 BDABRO [NH3+][C@H](CO)Cc1ccc2ccccc2c1 ZINC000059910379 385057608 /nfs/dbraw/zinc/05/76/08/385057608.db2.gz LZJYDHODVGJYLK-ZDUSSCGKSA-N 1 0 201.269 1.702 40 0 BDABRO C[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207641 385060470 /nfs/dbraw/zinc/06/04/70/385060470.db2.gz CWISESPKYLRZOQ-ZJUUUORDSA-N 1 0 228.336 1.994 40 0 BDABRO CCOC(=O)[C@H](CN)[C@@](C)(CC)[NH+]1CCCC1 ZINC000072210435 385068470 /nfs/dbraw/zinc/06/84/70/385068470.db2.gz DDUUSFCOUXACEG-WCQYABFASA-N 1 0 242.363 1.389 40 0 BDABRO CC(=O)N1CCC[C@H]1c1cccnc1N ZINC000072212412 385075239 /nfs/dbraw/zinc/07/52/39/385075239.db2.gz MJAKQUBJFUNTDO-JTQLQIEISA-N 1 0 205.261 1.347 40 0 BDABRO CN(C)c1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072212582 385076649 /nfs/dbraw/zinc/07/66/49/385076649.db2.gz GTLAIPDLSVFKSX-NSHDSACASA-N 1 0 205.305 1.914 40 0 BDABRO Cc1[nH+]c(N2CCCC2)ccc1CCO ZINC000072224532 385119883 /nfs/dbraw/zinc/11/98/83/385119883.db2.gz JPCMOIDVCLPRGX-UHFFFAOYSA-N 1 0 206.289 1.525 40 0 BDABRO C[NH2+]Cc1ccc(N2CCCC2)nc1C ZINC000072224530 385120117 /nfs/dbraw/zinc/12/01/17/385120117.db2.gz CDTNOTQVUFMPHL-UHFFFAOYSA-N 1 0 205.305 1.710 40 0 BDABRO Cc1cc(C2=[NH+]CCC2)cnc1N1CCOCC1 ZINC000072219321 385105201 /nfs/dbraw/zinc/10/52/01/385105201.db2.gz IFZBLOQDTGDRSD-UHFFFAOYSA-N 1 0 245.326 1.810 40 0 BDABRO c1c(C2CC2)nc(C2CC2)nc1N1CC[NH2+]CC1 ZINC000096516924 385256227 /nfs/dbraw/zinc/25/62/27/385256227.db2.gz ULLGTRXHLVLOQJ-UHFFFAOYSA-N 1 0 244.342 1.641 40 0 BDABRO CC(C)(C)OC(=O)[C@@H](N)CCCCC[NH3+] ZINC000064219637 385245941 /nfs/dbraw/zinc/24/59/41/385245941.db2.gz XREMTGLZTIREIM-VIFPVBQESA-N 1 0 216.325 1.175 40 0 BDABRO C[C@@H]([NH3+])c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000096510451 385250446 /nfs/dbraw/zinc/25/04/46/385250446.db2.gz YISAOXAMHVGUAR-SCSAIBSYSA-N 1 0 230.193 1.996 40 0 BDABRO CCc1cc(N2CC[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000096516989 385255766 /nfs/dbraw/zinc/25/57/66/385255766.db2.gz ZJNBFODVSDFLOJ-JTQLQIEISA-N 1 0 232.331 1.454 40 0 BDABRO CCn1ccc(CN2CCCC[C@@H]2C[NH3+])n1 ZINC000096523610 385267032 /nfs/dbraw/zinc/26/70/32/385267032.db2.gz AKVHDZFLJHXGAW-GFCCVEGCSA-N 1 0 222.336 1.216 40 0 BDABRO [NH3+][C@@H]1CCN(CCCn2cnc3ccccc32)C1 ZINC000096523480 385267596 /nfs/dbraw/zinc/26/75/96/385267596.db2.gz WELBYCAOOLNBGX-GFCCVEGCSA-N 1 0 244.342 1.459 40 0 BDABRO [NH3+]C[C@H]1CCCCN1Cc1n[nH]c2ccccc21 ZINC000096523584 385267736 /nfs/dbraw/zinc/26/77/36/385267736.db2.gz XZCRXMGYIPEODM-LLVKDONJSA-N 1 0 244.342 1.876 40 0 BDABRO CC(C)c1csc(COCC[NH3+])n1 ZINC000096528173 385273959 /nfs/dbraw/zinc/27/39/59/385273959.db2.gz ZVUYSTIUKIRDML-UHFFFAOYSA-N 1 0 200.307 1.742 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])C(C)(C)C ZINC000096524853 385277969 /nfs/dbraw/zinc/27/79/69/385277969.db2.gz HJMQQCDHLRTZNJ-JGVFFNPUSA-N 1 0 207.339 1.183 40 0 BDABRO Cc1cc(N2CC[NH+](C)CC2)c(C)cc1N ZINC000167124395 385300575 /nfs/dbraw/zinc/30/05/75/385300575.db2.gz JRYMILYBSHCNSP-UHFFFAOYSA-N 1 0 219.332 1.637 40 0 BDABRO C[C@@H]([NH3+])CN1CCCC[C@@H]1c1cccnc1 ZINC000095097559 385436956 /nfs/dbraw/zinc/43/69/56/385436956.db2.gz WKYAMPGIQNSEHE-DGCLKSJQSA-N 1 0 219.332 1.956 40 0 BDABRO CCOC(=O)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000005717357 385487483 /nfs/dbraw/zinc/48/74/83/385487483.db2.gz BFVUHFOCHKBINX-NSHDSACASA-N 1 0 211.305 1.957 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C[C@@H]1CF ZINC000066351310 385621675 /nfs/dbraw/zinc/62/16/75/385621675.db2.gz QJBVSYYFYCEZGQ-HTQZYQBOSA-N 1 0 218.272 1.293 40 0 BDABRO C[NH+](C)CCC[N@@H+]1CC[C@@H](O)[C@H]2CCCC[C@@H]21 ZINC000004751437 385607015 /nfs/dbraw/zinc/60/70/15/385607015.db2.gz JHEIOFIBTVJIHC-MELADBBJSA-N 1 0 240.391 1.564 40 0 BDABRO CC[NH2+][C@@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000205701903 385653399 /nfs/dbraw/zinc/65/33/99/385653399.db2.gz YYHFSOARHFEWDW-LBPRGKRZSA-N 1 0 224.348 1.920 40 0 BDABRO c1cnc(OCC[C@H]2CCOC3(C[NH2+]C3)C2)cn1 ZINC000253596988 385686763 /nfs/dbraw/zinc/68/67/63/385686763.db2.gz YVIVPVWIUQTZIR-NSHDSACASA-N 1 0 249.314 1.014 40 0 BDABRO CN1CCC([N@@H+]2CCC[C@H]2c2ccncn2)CC1 ZINC000257242035 385756259 /nfs/dbraw/zinc/75/62/59/385756259.db2.gz IATSKTODWFLPPM-AWEZNQCLSA-N 1 0 246.358 1.708 40 0 BDABRO Cn1cnnc1[C@]1(C)CCC[N@H+](CC2CC2)C1 ZINC000257301247 385761724 /nfs/dbraw/zinc/76/17/24/385761724.db2.gz RXQYDNISDQUJGD-CYBMUJFWSA-N 1 0 234.347 1.579 40 0 BDABRO Cc1nc(-c2cc[nH]n2)cc([C@H]2CCC[N@H+]2C)n1 ZINC000257288264 385761883 /nfs/dbraw/zinc/76/18/83/385761883.db2.gz PTOIGZNPTUKUIA-CYBMUJFWSA-N 1 0 243.314 1.942 40 0 BDABRO Cc1nc(C(=O)N2C[C@@H]3CCCC[NH2+][C@@H]3C2)co1 ZINC000257302920 385762687 /nfs/dbraw/zinc/76/26/87/385762687.db2.gz SFAAPORMCBXUMD-WDEREUQCSA-N 1 0 249.314 1.197 40 0 BDABRO Cc1cc(-c2cnc(C[C@@H]3CC[NH2+]C3)cn2)n[nH]1 ZINC000257321068 385764762 /nfs/dbraw/zinc/76/47/62/385764762.db2.gz VZYWMXJLYKXBAN-JTQLQIEISA-N 1 0 243.314 1.327 40 0 BDABRO CC[C@H](CO)[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717608 385724718 /nfs/dbraw/zinc/72/47/18/385724718.db2.gz ASLWCEZKHYEHDK-LLVKDONJSA-N 1 0 238.335 1.157 40 0 BDABRO COC(=O)c1ccc2c(c1)CC[C@]21COCC[NH2+]1 ZINC000306145875 385994954 /nfs/dbraw/zinc/99/49/54/385994954.db2.gz UKPNFGHPXLCSGG-AWEZNQCLSA-N 1 0 247.294 1.235 40 0 BDABRO CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[NH2+]C2)O1 ZINC000306129307 385991135 /nfs/dbraw/zinc/99/11/35/385991135.db2.gz IAHPLARDMNWYMK-WCQYABFASA-N 1 0 240.347 1.060 40 0 BDABRO c1ncc([C@H]2COC3(C2)CC[NH2+]CC3)cn1 ZINC000306133399 385991802 /nfs/dbraw/zinc/99/18/02/385991802.db2.gz MKHBKVVOZRNMFA-SNVBAGLBSA-N 1 0 219.288 1.103 40 0 BDABRO COC(=O)c1ccc2c(c1)CC[C@]21CC[NH2+]1 ZINC000306145693 385993934 /nfs/dbraw/zinc/99/39/34/385993934.db2.gz NUOULVWORMUARZ-ZDUSSCGKSA-N 1 0 217.268 1.608 40 0 BDABRO C[C@@H](CCn1cccn1)[NH2+][C@H]1CCO[C@@H]1C ZINC000097234774 386036332 /nfs/dbraw/zinc/03/63/32/386036332.db2.gz GZVGDQZSELVZSH-TUAOUCFPSA-N 1 0 223.320 1.429 40 0 BDABRO COc1ccc([C@H]2CC(C[NH3+])=NO2)cc1 ZINC000222550758 386051389 /nfs/dbraw/zinc/05/13/89/386051389.db2.gz WWVNAPGWSDIAQC-LLVKDONJSA-N 1 0 206.245 1.471 40 0 BDABRO [NH3+][C@@H]1CCCN(c2ncnc3ccccc32)C1 ZINC000041030326 386239663 /nfs/dbraw/zinc/23/96/63/386239663.db2.gz GTWKDONDLFHLMN-SNVBAGLBSA-N 1 0 228.299 1.557 40 0 BDABRO [NH3+]C[C@H]1C[C@]12CCOc1ccc(F)cc12 ZINC000218683376 386358183 /nfs/dbraw/zinc/35/81/83/386358183.db2.gz XXSNIODYNIZWCE-PRHODGIISA-N 1 0 207.248 1.825 40 0 BDABRO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[NH2+]CC2 ZINC000083297627 386659828 /nfs/dbraw/zinc/65/98/28/386659828.db2.gz UVXQLUZASNYBCQ-GZMMTYOYSA-N 1 0 212.293 1.263 40 0 BDABRO c1cncc(COC[C@@H]2CC[C@H]3[NH2+]CCO[C@H]32)c1 ZINC000247846113 386733991 /nfs/dbraw/zinc/73/39/91/386733991.db2.gz MSMJEAVQQBLCMH-MJBXVCDLSA-N 1 0 248.326 1.365 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1F ZINC000011958378 387004273 /nfs/dbraw/zinc/00/42/73/387004273.db2.gz TXXGVPZMURJKPO-NSHDSACASA-N 1 0 224.279 1.425 40 0 BDABRO Cc1noc(C)c1CN1C[C@@]2(CC[NH2+]C2)CC1=O ZINC000096077602 387017103 /nfs/dbraw/zinc/01/71/03/387017103.db2.gz SAJOWCGDAPLQGJ-ZDUSSCGKSA-N 1 0 249.314 1.003 40 0 BDABRO c1ccc(COC[C@H]2CCCC[NH2+]2)nc1 ZINC000051816003 387421205 /nfs/dbraw/zinc/42/12/05/387421205.db2.gz QHGKPYNFFPEWCV-GFCCVEGCSA-N 1 0 206.289 1.740 40 0 BDABRO CS(=O)(=O)C[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000052788840 387495463 /nfs/dbraw/zinc/49/54/63/387495463.db2.gz VXBIZPJDFHOUJU-SECBINFHSA-N 1 0 233.720 1.384 40 0 BDABRO CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000575447512 387672656 /nfs/dbraw/zinc/67/26/56/387672656.db2.gz BHOQHYOAFUMULA-KGLIPLIRSA-N 1 0 216.328 1.823 40 0 BDABRO c1ccc2c(c1)ncnc2N[C@@H]1CC[NH2+]C1 ZINC000052093962 387850202 /nfs/dbraw/zinc/85/02/02/387850202.db2.gz XVTBSEBCNFXKGC-SECBINFHSA-N 1 0 214.272 1.404 40 0 BDABRO CCOc1cc(N2CCC[C@H](C[NH3+])C2)ncn1 ZINC000079439865 387854899 /nfs/dbraw/zinc/85/48/99/387854899.db2.gz FSHHFKCRFKWKOY-SNVBAGLBSA-N 1 0 236.319 1.050 40 0 BDABRO c1ccc2c(c1)ncnc2NC1C[NH2+]C1 ZINC000083351149 387855924 /nfs/dbraw/zinc/85/59/24/387855924.db2.gz HONUBIONPLCTDT-UHFFFAOYSA-N 1 0 200.245 1.014 40 0 BDABRO CC[C@H](C)n1nccc1C[NH2+]CCN(C)C ZINC000256050187 387858797 /nfs/dbraw/zinc/85/87/97/387858797.db2.gz DBQVUVNYEYSQCC-NSHDSACASA-N 1 0 224.352 1.505 40 0 BDABRO FC(F)Cn1cc(C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000256051051 387858947 /nfs/dbraw/zinc/85/89/47/387858947.db2.gz HMXAOGUWRILFQB-JTQLQIEISA-N 1 0 245.273 1.417 40 0 BDABRO Cc1c(C[NH2+]CCCCO)cnn1CC(F)F ZINC000256051023 387859286 /nfs/dbraw/zinc/85/92/86/387859286.db2.gz HKHXRKURGDLBQV-UHFFFAOYSA-N 1 0 247.289 1.319 40 0 BDABRO CC(C)Cn1cc(C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000256052129 387860766 /nfs/dbraw/zinc/86/07/66/387860766.db2.gz MACOTNLGSMQPIJ-ZDUSSCGKSA-N 1 0 237.347 1.808 40 0 BDABRO Cc1cc(C(F)(F)F)nc([C@@H]2CC[NH2+]C2)n1 ZINC000019686560 177830126 /nfs/dbraw/zinc/83/01/26/177830126.db2.gz MUGOWBUUYKMJRG-SSDOTTSWSA-N 1 0 231.221 1.881 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1cccc(N)c1 ZINC000217668813 387989776 /nfs/dbraw/zinc/98/97/76/387989776.db2.gz QOISGXDCUJFTKH-VXGBXAGGSA-N 1 0 234.299 1.087 40 0 BDABRO Cc1cc(C(=O)N2C[C@H]3C[C@@]3([NH3+])C2)c(C)o1 ZINC000096082174 177771022 /nfs/dbraw/zinc/77/10/22/177771022.db2.gz HXMMFNOTPNBNPV-BXKDBHETSA-N 1 0 220.272 1.070 40 0 BDABRO CC(C)n1nccc1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000132317003 388358705 /nfs/dbraw/zinc/35/87/05/388358705.db2.gz OWRBVGMMCTXGCW-JTQLQIEISA-N 1 0 236.319 1.545 40 0 BDABRO COC(=O)CCc1ccc2[nH]c(C)nc2c1 ZINC000217767539 388381061 /nfs/dbraw/zinc/38/10/61/388381061.db2.gz SQIUTZBTMZRATE-UHFFFAOYSA-N 1 0 218.256 1.977 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1cccc(F)c1 ZINC000242648716 388400164 /nfs/dbraw/zinc/40/01/64/388400164.db2.gz RECSJVDZPUFSAZ-NWDGAFQWSA-N 1 0 237.274 1.644 40 0 BDABRO Clc1ccc(C[C@H]2COCC[NH2+]2)cc1 ZINC000071518373 388444470 /nfs/dbraw/zinc/44/44/70/388444470.db2.gz OYBVODNMGYFPHN-NSHDSACASA-N 1 0 211.692 1.871 40 0 BDABRO CC(C)(C)OC(=O)[C@H](N)CC1CC[NH2+]CC1 ZINC000071186783 388508972 /nfs/dbraw/zinc/50/89/72/388508972.db2.gz BGPALDULXGNAOL-SNVBAGLBSA-N 1 0 228.336 1.045 40 0 BDABRO CCc1ccc([C@@H]2[C@H]([NH3+])[C@H]2S(C)(=O)=O)cc1 ZINC000242390286 388580239 /nfs/dbraw/zinc/58/02/39/388580239.db2.gz AIPMMWQRUVROCI-WOPDTQHZSA-N 1 0 239.340 1.087 40 0 BDABRO CN1C[C@H]([NH3+])[C@@H](c2cccc(Cl)c2)C1 ZINC000225606560 388623324 /nfs/dbraw/zinc/62/33/24/388623324.db2.gz JTOBATWTMMBNKW-MNOVXSKESA-N 1 0 210.708 1.696 40 0 BDABRO O=C(c1ccco1)N1CCCC12CC[NH2+]CC2 ZINC000257667004 388628009 /nfs/dbraw/zinc/62/80/09/388628009.db2.gz HNOIWIRZSHXOSH-UHFFFAOYSA-N 1 0 234.299 1.638 40 0 BDABRO c1ccc(OC[C@@]23CCCO[C@H]2CC[NH2+]C3)nc1 ZINC000306124160 388629078 /nfs/dbraw/zinc/62/90/78/388629078.db2.gz BHZQARMEHHZSCO-JSGCOSHPSA-N 1 0 248.326 1.619 40 0 BDABRO Cn1c[nH+]c2c1NC[C@H](C(F)(F)F)C2 ZINC000110751013 388649978 /nfs/dbraw/zinc/64/99/78/388649978.db2.gz GLORIRWQDFZSPP-RXMQYKEDSA-N 1 0 205.183 1.567 40 0 BDABRO CCOc1ccccc1[C@H]1C[C@]1(C[NH3+])CO ZINC000062713358 388655119 /nfs/dbraw/zinc/65/51/19/388655119.db2.gz FOHHAUWFXFOJIL-YPMHNXCESA-N 1 0 221.300 1.510 40 0 BDABRO C[C@@H]([NH2+]Cc1cnc(N)nc1)c1ccccc1 ZINC000062717356 388655800 /nfs/dbraw/zinc/65/58/00/388655800.db2.gz LLSHHJDIRHGIOS-SNVBAGLBSA-N 1 0 228.299 1.910 40 0 BDABRO Cc1c[nH]c(-c2cc(C[C@H]3CC[NH2+]C3)ncn2)n1 ZINC000257205576 388698055 /nfs/dbraw/zinc/69/80/55/388698055.db2.gz AZSCCPPSMJOTFR-SNVBAGLBSA-N 1 0 243.314 1.327 40 0 BDABRO C[N@H+](CC1(O)CCCC1)[C@H]1CCCC[C@@H]1O ZINC000125880526 388811985 /nfs/dbraw/zinc/81/19/85/388811985.db2.gz NTQJWACWITTXLY-RYUDHWBXSA-N 1 0 227.348 1.527 40 0 BDABRO [NH3+][C@H](CN1CCSCC1)c1ccccc1 ZINC000020257448 388760165 /nfs/dbraw/zinc/76/01/65/388760165.db2.gz NPGXXAJBEZQHPB-GFCCVEGCSA-N 1 0 222.357 1.735 40 0 BDABRO COCCN1CCCc2c(C[NH3+])cccc21 ZINC000096510242 132431393 /nfs/dbraw/zinc/43/13/93/132431393.db2.gz GBQKOKAMKKHQOY-UHFFFAOYSA-N 1 0 220.316 1.544 40 0 BDABRO C[C@H]1CN(c2ccccc2N)C[C@H](C)[NH2+]1 ZINC000008702427 132318865 /nfs/dbraw/zinc/31/88/65/132318865.db2.gz LWLNUWZFCRXDQC-UWVGGRQHSA-N 1 0 205.305 1.455 40 0 BDABRO C[C@H]1CN(c2ncccc2Cl)CC[NH2+]1 ZINC000016697469 132323367 /nfs/dbraw/zinc/32/33/67/132323367.db2.gz ZIHUFGHPYQTYIP-QMMMGPOBSA-N 1 0 211.696 1.533 40 0 BDABRO CC1CCN(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000021523052 132332090 /nfs/dbraw/zinc/33/20/90/132332090.db2.gz CJUHRJKSDYFEMA-UHFFFAOYSA-N 1 0 232.331 1.359 40 0 BDABRO [NH3+][C@H]1CCCN(c2ncnc3ccccc32)C1 ZINC000041030325 132349219 /nfs/dbraw/zinc/34/92/19/132349219.db2.gz GTWKDONDLFHLMN-JTQLQIEISA-N 1 0 228.299 1.557 40 0 BDABRO [NH3+]Cc1ccc(CO)cc1Br ZINC000168202202 134160168 /nfs/dbraw/zinc/16/01/68/134160168.db2.gz OWFCPKPFPFAOJX-UHFFFAOYSA-N 1 0 216.078 1.400 40 0 BDABRO CC[C@H]1[NH2+]CCC[C@]12CCC(=O)N2CC1CC1 ZINC000306126815 135368735 /nfs/dbraw/zinc/36/87/35/135368735.db2.gz FGBBOBWXXMYRRW-OCCSQVGLSA-N 1 0 236.359 1.920 40 0 BDABRO C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080992940 135384460 /nfs/dbraw/zinc/38/44/60/135384460.db2.gz MGYVWEJCZQKKAB-NEPJUHHUSA-N 1 0 224.348 1.920 40 0 BDABRO CN(C)c1nc(C(F)(F)F)c(C[NH3+])s1 ZINC000216615962 397942046 /nfs/dbraw/zinc/94/20/46/397942046.db2.gz BVGCLWOSMVTYQD-UHFFFAOYSA-N 1 0 225.239 1.687 40 0 BDABRO [NH3+]C[C@H]1CCCN(c2ccc(F)cc2)C1=O ZINC000084013925 398075830 /nfs/dbraw/zinc/07/58/30/398075830.db2.gz LBZCURRTDYGJML-SECBINFHSA-N 1 0 222.263 1.527 40 0 BDABRO Brc1cccc([C@@H]2CC[NH2+]C2)n1 ZINC000044121863 166101558 /nfs/dbraw/zinc/10/15/58/166101558.db2.gz HBVGYHNKCKMQOQ-SSDOTTSWSA-N 1 0 227.105 1.921 40 0 BDABRO CCN(CC)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC000096268901 169756706 /nfs/dbraw/zinc/75/67/06/169756706.db2.gz MPASYVLGODHYGF-NSHDSACASA-N 1 0 240.347 1.156 40 0 BDABRO CC(C)[N@H+]1C[C@H]2c3cnc(N(C)C)nc3C[C@@H]2C1 ZINC000306125608 167035171 /nfs/dbraw/zinc/03/51/71/167035171.db2.gz CVLLHMFDFRGLRS-ZYHUDNBSSA-N 1 0 246.358 1.523 40 0 BDABRO CC(C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000019488741 167064635 /nfs/dbraw/zinc/06/46/35/167064635.db2.gz DNFMVEOKVINWDT-NSHDSACASA-N 1 0 206.289 1.601 40 0 BDABRO C[NH+](C)C[C@H]1COc2ccccc2[C@H]1N ZINC000062702164 411220361 /nfs/dbraw/zinc/22/03/61/411220361.db2.gz GHGQETRMMUTEAD-CABZTGNLSA-N 1 0 206.289 1.257 40 0 BDABRO COC(=O)[C@H]1CCCN1c1ccccc1C[NH3+] ZINC000026896328 411291313 /nfs/dbraw/zinc/29/13/13/411291313.db2.gz VIVKLDMTZODPPY-GFCCVEGCSA-N 1 0 234.299 1.287 40 0 BDABRO CC1([NH3+])COP(=O)(NC2CCCC2)OC1 ZINC000001704610 168053854 /nfs/dbraw/zinc/05/38/54/168053854.db2.gz MVYHEEYSKWKBLV-UHFFFAOYSA-N 1 0 234.236 1.391 40 0 BDABRO CC1CC(C[NH3+])([C@@H](O)c2ccncc2)C1 ZINC000085396212 168138980 /nfs/dbraw/zinc/13/89/80/168138980.db2.gz BYUCMRXYCBODKW-ZYXZCXLHSA-N 1 0 206.289 1.490 40 0 BDABRO CCC(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642180 168221867 /nfs/dbraw/zinc/22/18/67/168221867.db2.gz GWHBLBLAGPPCBT-UHFFFAOYSA-N 1 0 217.272 1.444 40 0 BDABRO CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000061553650 168228632 /nfs/dbraw/zinc/22/86/32/168228632.db2.gz CXKOFQCZJDUWLV-UHFFFAOYSA-N 1 0 212.337 1.635 40 0 BDABRO CC[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000039093931 170112776 /nfs/dbraw/zinc/11/27/76/170112776.db2.gz BQKDTEARZIJYDU-UHFFFAOYSA-N 1 0 216.325 1.901 40 0 BDABRO CCNc1ccnc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000091351861 170175046 /nfs/dbraw/zinc/17/50/46/170175046.db2.gz WIESPNULHXJPJD-SNVBAGLBSA-N 1 0 236.319 1.287 40 0 BDABRO CCOC(=O)CCc1cccc(C[NH3+])c1 ZINC000095775078 170212351 /nfs/dbraw/zinc/21/23/51/170212351.db2.gz YPMILYQONSQMNG-UHFFFAOYSA-N 1 0 207.273 1.641 40 0 BDABRO CCOC(=O)c1cc(C[NH3+])cnc1C(F)(F)F ZINC000096529553 170291531 /nfs/dbraw/zinc/29/15/31/170291531.db2.gz RKNFEWFEJOQOKG-UHFFFAOYSA-N 1 0 248.204 1.736 40 0 BDABRO CCOCCC[NH2+]CCC(=O)OC(C)(C)C ZINC000047218975 170380483 /nfs/dbraw/zinc/38/04/83/170380483.db2.gz LFIRVVMSWSOQLF-UHFFFAOYSA-N 1 0 231.336 1.734 40 0 BDABRO CCOc1ccc([C@H](O)C[NH3+])cc1OCC ZINC000059700223 170563984 /nfs/dbraw/zinc/56/39/84/170563984.db2.gz MHZKJOSBJYJMHA-SNVBAGLBSA-N 1 0 225.288 1.476 40 0 BDABRO CC[C@@H]1[NH2+][C@H]1CCOC(=O)c1ccccc1 ZINC000169804300 171150495 /nfs/dbraw/zinc/15/04/95/171150495.db2.gz XNQACXQKUXBMHZ-RYUDHWBXSA-N 1 0 219.284 1.984 40 0 BDABRO CC[C@H](C)[C@H]([NH3+])c1nc2cnccc2c(=O)[nH]1 ZINC000096510445 171397611 /nfs/dbraw/zinc/39/76/11/171397611.db2.gz JQTFBPXJFVGEPQ-XVKPBYJWSA-N 1 0 232.287 1.776 40 0 BDABRO CCn1cc(C[N@@H+]2CCC[C@@H](CO)C2)c(C)n1 ZINC000013568217 172164708 /nfs/dbraw/zinc/16/47/08/172164708.db2.gz PNEFHKBZMBIJTF-GFCCVEGCSA-N 1 0 237.347 1.416 40 0 BDABRO CCn1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)n1 ZINC000096511447 172200378 /nfs/dbraw/zinc/20/03/78/172200378.db2.gz WRWXWDRILQRNBJ-SECBINFHSA-N 1 0 247.302 1.420 40 0 BDABRO CCn1nc(C)c(C[NH2+]CC2CC2)c1F ZINC000256053637 172245597 /nfs/dbraw/zinc/24/55/97/172245597.db2.gz SFGBSNNBSKYWHS-UHFFFAOYSA-N 1 0 211.284 1.850 40 0 BDABRO CCn1ncc2c1C[NH2+]C[C@@H]2COCC1CC1 ZINC000306134691 172256249 /nfs/dbraw/zinc/25/62/49/172256249.db2.gz NVJRSGNOUNFONO-LLVKDONJSA-N 1 0 235.331 1.516 40 0 BDABRO CN1C(=O)C[C@H](c2ccncc2)C12CC[NH2+]CC2 ZINC000096261234 172966643 /nfs/dbraw/zinc/96/66/43/172966643.db2.gz MOVTULABPFFELM-GFCCVEGCSA-N 1 0 245.326 1.150 40 0 BDABRO CN(C)c1nccnc1C1CC[NH+](C)CC1 ZINC000072381274 173001901 /nfs/dbraw/zinc/00/19/01/173001901.db2.gz PQFCTIYTFVYFTQ-UHFFFAOYSA-N 1 0 220.320 1.352 40 0 BDABRO C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000082320035 173038314 /nfs/dbraw/zinc/03/83/14/173038314.db2.gz ZHBSOBRTWCHELU-LBPRGKRZSA-N 1 0 224.348 1.731 40 0 BDABRO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082306431 173038566 /nfs/dbraw/zinc/03/85/66/173038566.db2.gz WIVOJBVVEWEYMI-AWEZNQCLSA-N 1 0 246.354 1.987 40 0 BDABRO C[N@@H+]1CC[C@]2(C1)C[C@H](Nc1ncccn1)CCO2 ZINC000096209221 173141340 /nfs/dbraw/zinc/14/13/40/173141340.db2.gz YMGJLGHMHCISLV-DGCLKSJQSA-N 1 0 248.330 1.142 40 0 BDABRO C[N@@H+]1C[C@@H]2C[C@]2(NC(=O)c2cccc(F)c2)C1 ZINC000096248948 173189757 /nfs/dbraw/zinc/18/97/57/173189757.db2.gz OXPPFBGUMWIYTN-GWCFXTLKSA-N 1 0 234.274 1.260 40 0 BDABRO C[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000019474483 173334160 /nfs/dbraw/zinc/33/41/60/173334160.db2.gz SBRXQLFKSNBIGX-UHFFFAOYSA-N 1 0 232.205 1.863 40 0 BDABRO C[NH2+]C[C@@H](O)c1cncc(Br)c1 ZINC000083072647 173366494 /nfs/dbraw/zinc/36/64/94/173366494.db2.gz LKCBATZLHZQYSD-MRVPVSSYSA-N 1 0 231.093 1.097 40 0 BDABRO C[NH2+]C[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000072226601 173382883 /nfs/dbraw/zinc/38/28/83/173382883.db2.gz YNMMPOIVCRDIHX-SECBINFHSA-N 1 0 208.309 1.183 40 0 BDABRO C[NH2+]Cc1cc(-c2cnn(C)c2C)no1 ZINC000035655522 173385599 /nfs/dbraw/zinc/38/55/99/173385599.db2.gz FZNVZQRDTRADLA-UHFFFAOYSA-N 1 0 206.249 1.103 40 0 BDABRO C[NH2+]Cc1cc(-c2cnn(C)c2C)on1 ZINC000026545467 173386334 /nfs/dbraw/zinc/38/63/34/173386334.db2.gz VJEPNDRCBXKLCU-UHFFFAOYSA-N 1 0 206.249 1.103 40 0 BDABRO C[NH2+][C@@H]1CCCC[C@@H]1N(C(C)=O)C(C)C ZINC000079438178 173431497 /nfs/dbraw/zinc/43/14/97/173431497.db2.gz LNXWSIFVLXPWFU-NEPJUHHUSA-N 1 0 212.337 1.774 40 0 BDABRO C[NH2+][C@H](Cc1ccc2c(c1)OCO2)C1CC1 ZINC000043133334 173454241 /nfs/dbraw/zinc/45/42/41/173454241.db2.gz DNROCNZQNQSVOG-LLVKDONJSA-N 1 0 219.284 1.956 40 0 in-vitro BDABRO C[NH2+][C@H]1CCCC[C@H]1N(C(C)=O)C(C)C ZINC000079438168 173460392 /nfs/dbraw/zinc/46/03/92/173460392.db2.gz LNXWSIFVLXPWFU-NWDGAFQWSA-N 1 0 212.337 1.774 40 0 BDABRO COC(=O)c1cccc(CN2CC[NH2+][C@@H](C)C2)c1 ZINC000039952499 173893387 /nfs/dbraw/zinc/89/33/87/173893387.db2.gz VNLCTQUZDSXQHN-NSHDSACASA-N 1 0 248.326 1.267 40 0 BDABRO COCCN(C)c1cccc(C2CC[NH2+]CC2)n1 ZINC000072365217 174283107 /nfs/dbraw/zinc/28/31/07/174283107.db2.gz OHYHPJHXQYGKCO-UHFFFAOYSA-N 1 0 249.358 1.631 40 0 BDABRO COCCNc1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072386637 174341588 /nfs/dbraw/zinc/34/15/88/174341588.db2.gz IHEPCZZSKYWUTM-SNVBAGLBSA-N 1 0 221.304 1.564 40 0 BDABRO COCCO[C@@H]1CC[NH2+][C@H]1Cc1ccccc1 ZINC000096200080 174365406 /nfs/dbraw/zinc/36/54/06/174365406.db2.gz ACBPVRSTZACCNN-UONOGXRCSA-N 1 0 235.327 1.623 40 0 BDABRO COc1cc(C[C@@H](C)[NH3+])cc2c1OCO2 ZINC000002001082 174987854 /nfs/dbraw/zinc/98/78/54/174987854.db2.gz YQYUWUKDEVZFDB-SSDOTTSWSA-N 1 0 209.245 1.314 40 0 in-man BDABRO COc1cc(O[C@@H]2CCC[NH2+]C2)ccn1 ZINC000095483696 175013281 /nfs/dbraw/zinc/01/32/81/175013281.db2.gz LNYDGTFNMZASHI-SNVBAGLBSA-N 1 0 208.261 1.221 40 0 BDABRO COc1cc2c(cc1OC)C[C@@H](C)[N+](C)=C2 ZINC000004777448 175024508 /nfs/dbraw/zinc/02/45/08/175024508.db2.gz MKUHMVLZKDSPDT-SECBINFHSA-N 1 0 220.292 1.710 40 0 BDABRO COc1ccc(-c2nnc([C@H](C)[NH3+])[nH]2)cc1 ZINC000061843970 175037738 /nfs/dbraw/zinc/03/77/38/175037738.db2.gz ZABUVSRNJDAUSV-ZETCQYMHSA-N 1 0 218.260 1.500 40 0 BDABRO COc1ccc(F)c(CN2CCC([NH3+])CC2)c1 ZINC000038539916 175124715 /nfs/dbraw/zinc/12/47/15/175124715.db2.gz HDASMGOLBWXRIQ-UHFFFAOYSA-N 1 0 238.306 1.757 40 0 BDABRO COc1ccc2[nH]cc([C@@H](O)C[NH3+])c2c1 ZINC000006018840 175202805 /nfs/dbraw/zinc/20/28/05/175202805.db2.gz LXJQQNSPZRPXLY-NSHDSACASA-N 1 0 206.245 1.169 40 0 BDABRO COc1ccc2c(c1)CCC[C@@H]([NH3+])[C@H]2O ZINC000008699480 175207416 /nfs/dbraw/zinc/20/74/16/175207416.db2.gz NRISILHIRDWJME-NEPJUHHUSA-N 1 0 207.273 1.392 40 0 BDABRO COc1ccc2c(c1)c(C[NH3+])c(C)n2C ZINC000082593099 175218319 /nfs/dbraw/zinc/21/83/19/175218319.db2.gz HYMANGQZINZRGQ-UHFFFAOYSA-N 1 0 204.273 1.954 40 0 BDABRO COc1ccc2c(c1OC)CCO[C@@H]2C[NH3+] ZINC000082291134 175222006 /nfs/dbraw/zinc/22/20/06/175222006.db2.gz MLQMEPWUOQUKCM-LLVKDONJSA-N 1 0 223.272 1.276 40 0 BDABRO COc1cccc(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000062617026 175243287 /nfs/dbraw/zinc/24/32/87/175243287.db2.gz PDGZWOJOOWTIAB-SNVBAGLBSA-N 1 0 234.299 1.129 40 0 BDABRO COc1cccc(C(=O)NC[n+]2ccccc2)c1 ZINC000001623463 175245383 /nfs/dbraw/zinc/24/53/83/175245383.db2.gz IJPXBQKMYJCLLU-UHFFFAOYSA-O 1 0 243.286 1.370 40 0 BDABRO COc1cccc(C2(C[NH3+])CCOCC2)c1 ZINC000040907697 175247769 /nfs/dbraw/zinc/24/77/69/175247769.db2.gz VCRKYGDZXSUHJM-UHFFFAOYSA-N 1 0 221.300 1.702 40 0 BDABRO COc1cccc(C2([NH3+])CC[NH2+]CC2)c1 ZINC000096029464 175248080 /nfs/dbraw/zinc/24/80/80/175248080.db2.gz BOEZMQUINHFINF-UHFFFAOYSA-N 1 0 206.289 1.233 40 0 BDABRO COc1cccc(C2(C[NH3+])CCOCC2)n1 ZINC000075090134 175248336 /nfs/dbraw/zinc/24/83/36/175248336.db2.gz OHSNMEBKDIKMJY-UHFFFAOYSA-N 1 0 222.288 1.097 40 0 BDABRO COc1cccc(C2=NO[C@@H](C[NH3+])C2)c1 ZINC000069978248 175249183 /nfs/dbraw/zinc/24/91/83/175249183.db2.gz VCPHYLSDEUZPGZ-SNVBAGLBSA-N 1 0 206.245 1.147 40 0 BDABRO COc1cccc(CN(C(=O)C[NH3+])C(C)C)c1 ZINC000032090040 175253686 /nfs/dbraw/zinc/25/36/86/175253686.db2.gz JSGAWFLZBHFMAZ-UHFFFAOYSA-N 1 0 236.315 1.391 40 0 BDABRO COc1cccc(CN2CC[C@@H]([NH3+])C2)c1 ZINC000022942126 175259401 /nfs/dbraw/zinc/25/94/01/175259401.db2.gz YFXLADVUIYRKLL-LLVKDONJSA-N 1 0 206.289 1.228 40 0 BDABRO COc1ccccc1-c1cc(C[NH3+])[nH]n1 ZINC000020270454 175309021 /nfs/dbraw/zinc/30/90/21/175309021.db2.gz KLPUZLUHDDGWMD-UHFFFAOYSA-N 1 0 203.245 1.544 40 0 BDABRO COc1ccccc1-c1c[nH+]c(N)n1C ZINC000199791874 175310076 /nfs/dbraw/zinc/31/00/76/175310076.db2.gz IKVFPJGHBTWJAR-UHFFFAOYSA-N 1 0 203.245 1.678 40 0 BDABRO COc1ccccc1-c1n[nH]c([C@H](C)[NH3+])n1 ZINC000082510290 175310793 /nfs/dbraw/zinc/31/07/93/175310793.db2.gz AYTGYOATPQRWHS-ZETCQYMHSA-N 1 0 218.260 1.500 40 0 BDABRO COc1ccccc1CC1([NH3+])CCOCC1 ZINC000016719187 175321872 /nfs/dbraw/zinc/32/18/72/175321872.db2.gz IPZAXKZXFVUGJG-UHFFFAOYSA-N 1 0 221.300 1.746 40 0 BDABRO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C[NH3+] ZINC000038101359 176016617 /nfs/dbraw/zinc/01/66/17/176016617.db2.gz PFRAPOXSOCWRRO-QMMMGPOBSA-N 1 0 226.707 1.818 40 0 BDABRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](O)C1 ZINC000095089039 176027469 /nfs/dbraw/zinc/02/74/69/176027469.db2.gz IKDJNGOSFJDSOY-WDEREUQCSA-N 1 0 206.289 1.599 40 0 BDABRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](CO)C1 ZINC000072203953 176027865 /nfs/dbraw/zinc/02/78/65/176027865.db2.gz CCCKFMGXAZWYAU-RYUDHWBXSA-N 1 0 220.316 1.847 40 0 BDABRO C[C@@H](c1cnccn1)N(C)C1CC[NH2+]CC1 ZINC000072203843 176035201 /nfs/dbraw/zinc/03/52/01/176035201.db2.gz ZSDRVHYYBUTYDC-JTQLQIEISA-N 1 0 220.320 1.221 40 0 BDABRO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](CO)C1 ZINC000072202898 176037285 /nfs/dbraw/zinc/03/72/85/176037285.db2.gz ZXTPHABXDVSFCI-QWRGUYRKSA-N 1 0 221.304 1.242 40 0 BDABRO C[C@@H](c1nccs1)N(C)[C@H]1CCC[NH2+]C1 ZINC000095068180 176039687 /nfs/dbraw/zinc/03/96/87/176039687.db2.gz HLWZWVHOTIFKLT-UWVGGRQHSA-N 1 0 225.361 1.888 40 0 BDABRO C[C@H]1CCN(CCO)CC[N@@H+]1Cc1ccccc1 ZINC000177842957 177159877 /nfs/dbraw/zinc/15/98/77/177159877.db2.gz YTUVMHUKVKWZEJ-AWEZNQCLSA-N 1 0 248.370 1.575 40 0 BDABRO C[C@H]1C[NH2+]CCN(Cc2ccccc2)C1 ZINC000049661285 177282680 /nfs/dbraw/zinc/28/26/80/177282680.db2.gz DELQSIXFTFPJOQ-LBPRGKRZSA-N 1 0 204.317 1.728 40 0 BDABRO C[C@H]1C[C@@H]([NH3+])c2ccccc2S1(=O)=O ZINC000035752101 177327329 /nfs/dbraw/zinc/32/73/29/177327329.db2.gz ZGKBUKWATUFQGG-IONNQARKSA-N 1 0 211.286 1.252 40 0 BDABRO C[C@H]1C[C@@](O)(c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000107993719 177352533 /nfs/dbraw/zinc/35/25/33/177352533.db2.gz QBPQEQQKSQOQBI-GVXVVHGQSA-N 1 0 205.301 1.892 40 0 BDABRO C[C@H]1[NH2+]CCC[C@H]1N(C)C(=O)OC(C)(C)C ZINC000217678065 177395799 /nfs/dbraw/zinc/39/57/99/177395799.db2.gz NWFQIKRLZPHXDX-NXEZZACHSA-N 1 0 228.336 1.994 40 0 BDABRO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH3+] ZINC000072208922 262722092 /nfs/dbraw/zinc/72/20/92/262722092.db2.gz CCDGWMGDQSLCED-BDAKNGLRSA-N 1 0 216.325 1.883 40 0 BDABRO CC(C)[N@H+](C)[C@H]1CC[C@H]([NH2+]CC(=O)[O-])CC1 ZINC000242390175 519632127 /nfs/dbraw/zinc/63/21/27/519632127.db2.gz ACCKOIBVQPZXOE-XYPYZODXSA-N 1 0 228.336 1.312 40 0 BDABRO COCCn1cc([C@H]2CCCC[NH2+]2)cn1 ZINC000225775403 522114738 /nfs/dbraw/zinc/11/47/38/522114738.db2.gz QMKPZQRZHQXWAM-LLVKDONJSA-N 1 0 209.293 1.344 40 0 BDABRO CCn1cc(C[NH2+]Cc2cn(C)nc2C)cn1 ZINC000020349857 523383760 /nfs/dbraw/zinc/38/37/60/523383760.db2.gz FWFJPQCOESADFN-UHFFFAOYSA-N 1 0 233.319 1.235 40 0 BDABRO C[C@H]1[C@@H]([NH3+])C(=O)N1c1ccc2ccccc2c1 ZINC000225776743 525086623 /nfs/dbraw/zinc/08/66/23/525086623.db2.gz BYHYCDUINMCLOR-TVQRCGJNSA-N 1 0 226.279 1.902 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])C[C@H](F)C1 ZINC000107260507 534862376 /nfs/dbraw/zinc/86/23/76/534862376.db2.gz QHVIBSNJHHGNCZ-YUMQZZPRSA-N 1 0 218.272 1.293 40 0 BDABRO O=C1NCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000261507629 527071638 /nfs/dbraw/zinc/07/16/38/527071638.db2.gz KLBIDDAWGHRPBL-STQMWFEESA-N 1 0 230.311 1.255 40 0 BDABRO [NH3+]C[C@@H]1C[C@H](C(F)(F)F)C[C@@H]2OCC[C@@H]21 ZINC000225761735 527220599 /nfs/dbraw/zinc/22/05/99/527220599.db2.gz VPKPDQBQCZBISA-MAUMQABQSA-N 1 0 223.238 1.939 40 0 BDABRO Cn1cc(Cc2ccc(F)cc2)[nH+]c1N ZINC000199550947 527235810 /nfs/dbraw/zinc/23/58/10/527235810.db2.gz RCXPEMZDWBACPI-UHFFFAOYSA-N 1 0 205.236 1.732 40 0 BDABRO [NH3+][C@@H]1C[C@H](C(F)(F)F)C[C@@H]2OCC[C@H]21 ZINC000242538741 527375221 /nfs/dbraw/zinc/37/52/21/527375221.db2.gz JDVVYQROBUQBAO-HSNKUXOKSA-N 1 0 209.211 1.691 40 0 BDABRO CC[NH+]1CCC(c2cc(CCO)n[nH]2)CC1 ZINC000072361071 343980127 /nfs/dbraw/zinc/98/01/27/343980127.db2.gz BHJHUVOLPRJTGU-UHFFFAOYSA-N 1 0 223.320 1.144 40 0 BDABRO CC[N@@H+]1CCC[C@@]1(C)c1nc(C)cc(N)n1 ZINC000072388335 343979993 /nfs/dbraw/zinc/97/99/93/343979993.db2.gz LRUWZYRVALINMH-LBPRGKRZSA-N 1 0 220.320 1.698 40 0 BDABRO NC(=[NH2+])CS(=O)(=O)c1ccc(Cl)cc1 ZINC000200446561 136216570 /nfs/dbraw/zinc/21/65/70/136216570.db2.gz CJVRFGLEEHFWBX-UHFFFAOYSA-N 1 0 232.692 1.050 40 0 BDABRO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000038538938 178086191 /nfs/dbraw/zinc/08/61/91/178086191.db2.gz DSAWDXREQMUHEF-GFCCVEGCSA-N 1 0 209.264 1.701 40 0 BDABRO Cc1ccc(-n2ncc3c2nc[nH+]c3NN)cc1 ZINC000040217212 178349951 /nfs/dbraw/zinc/34/99/51/178349951.db2.gz GVPJRVBQDVTETN-UHFFFAOYSA-N 1 0 240.270 1.410 40 0 BDABRO CCc1ccc([C@@H](CO)N2CCOCC2)cc1 ZINC000070452922 259313617 /nfs/dbraw/zinc/31/36/17/259313617.db2.gz GYDUNUHZGSBBCL-CQSZACIVSA-N 1 0 235.327 1.615 40 0 BDABRO CCOC(=O)[C@@H](CN)C1([NH+](C)C)CCCCC1 ZINC000072210448 259316937 /nfs/dbraw/zinc/31/69/37/259316937.db2.gz VXSIBMRCJPPOLG-LLVKDONJSA-N 1 0 242.363 1.389 40 0 BDABRO CCn1nc(C)c([C@@H](C)OCC[NH3+])c1C ZINC000072219915 259318895 /nfs/dbraw/zinc/31/88/95/259318895.db2.gz CTIYBFVTOQMMIK-SNVBAGLBSA-N 1 0 211.309 1.556 40 0 BDABRO C[C@@H](O)C[C@H]1CCC[C@H](C[C@@H](C)O)[NH2+]1 ZINC000005083196 342757710 /nfs/dbraw/zinc/75/77/10/342757710.db2.gz RLVDVFLJEJAKEW-GWOFURMSSA-N 1 0 201.310 1.039 40 0 BDABRO Cn1c2ccccc2nc1N1CCC[C@H]([NH3+])C1 ZINC000043220326 342790905 /nfs/dbraw/zinc/79/09/05/342790905.db2.gz BCLHKEHYRYFDLN-JTQLQIEISA-N 1 0 230.315 1.501 40 0 BDABRO Cc1cccc(C[C@H]2C[N@@H+]3CCC[C@H]3CN2)c1 ZINC000039957313 361908727 /nfs/dbraw/zinc/90/87/27/361908727.db2.gz XWOBZZWMVQMZLD-GJZGRUSLSA-N 1 0 230.355 1.974 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C[C@@H](F)C1 ZINC000107260508 539021141 /nfs/dbraw/zinc/02/11/41/539021141.db2.gz QHVIBSNJHHGNCZ-HTQZYQBOSA-N 1 0 218.272 1.293 40 0 BDABRO C[C@@H]([NH3+])CN(C)c1cnnc2ccccc21 ZINC000082592540 259323290 /nfs/dbraw/zinc/32/32/90/259323290.db2.gz APOMUAPISQOARN-SECBINFHSA-N 1 0 216.288 1.413 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1cccc(F)c1 ZINC000242648718 259325941 /nfs/dbraw/zinc/32/59/41/259325941.db2.gz RECSJVDZPUFSAZ-RYUDHWBXSA-N 1 0 237.274 1.644 40 0 BDABRO CCc1cc(CN2CCC([NH3+])CC2)on1 ZINC000012398767 342851306 /nfs/dbraw/zinc/85/13/06/342851306.db2.gz PVFZXSUFRONJHM-UHFFFAOYSA-N 1 0 209.293 1.160 40 0 BDABRO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CC12CC2 ZINC000165261668 342893577 /nfs/dbraw/zinc/89/35/77/342893577.db2.gz HOVWKJWUCRVIBO-SECBINFHSA-N 1 0 226.320 1.511 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccc(N)cc1 ZINC000217668999 398322808 /nfs/dbraw/zinc/32/28/08/398322808.db2.gz JSOMRGBZMHYPNK-VXGBXAGGSA-N 1 0 234.299 1.087 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccc(N)cc1 ZINC000217669071 398322957 /nfs/dbraw/zinc/32/29/57/398322957.db2.gz JSOMRGBZMHYPNK-NEPJUHHUSA-N 1 0 234.299 1.087 40 0 BDABRO Clc1ccc(CN2C[C@H]3C[C@@H]2C[NH2+]3)cc1 ZINC000019796096 342958340 /nfs/dbraw/zinc/95/83/40/342958340.db2.gz JRXFRRAVHNPHTL-VXGBXAGGSA-N 1 0 222.719 1.886 40 0 BDABRO [NH3+][C@@H](Cc1ccccc1)C(=O)C(F)(F)F ZINC000020285466 342980680 /nfs/dbraw/zinc/98/06/80/342980680.db2.gz ZNXJGEZIJAPSKJ-QMMMGPOBSA-N 1 0 217.190 1.688 40 0 BDABRO CC(C)(C)OC(=O)N1CC([C@@H]([NH3+])C2CCC2)C1 ZINC000214704624 349792918 /nfs/dbraw/zinc/79/29/18/349792918.db2.gz MQNHIGBPJIWQKX-NSHDSACASA-N 1 0 240.347 1.981 40 0 BDABRO CCCCOC[C@H](O)C[NH2+]Cc1ccccc1 ZINC000026897765 343110557 /nfs/dbraw/zinc/11/05/57/343110557.db2.gz DPZSYOLTDCJNES-CQSZACIVSA-N 1 0 237.343 1.954 40 0 BDABRO CC[C@H]1SC2(CC[NH+](C)CC2)NC1=O ZINC000034617971 343276269 /nfs/dbraw/zinc/27/62/69/343276269.db2.gz PHOZOHFUXHPOCK-MRVPVSSYSA-N 1 0 214.334 1.050 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccncc1 ZINC000036776824 343304863 /nfs/dbraw/zinc/30/48/63/343304863.db2.gz GXGJSYCXSBBDBI-NSHDSACASA-N 1 0 221.304 1.023 40 0 BDABRO CO[C@H]1CC[NH2+]C[C@H]1Cc1cccc(F)c1 ZINC000221731163 346987286 /nfs/dbraw/zinc/98/72/86/346987286.db2.gz BATOXWCYRQWBLC-YPMHNXCESA-N 1 0 223.291 1.993 40 0 BDABRO c1nn(-c2ncccn2)cc1C1CC[NH2+]CC1 ZINC000575623437 343876175 /nfs/dbraw/zinc/87/61/75/343876175.db2.gz RHPCMPTXGDKJGL-UHFFFAOYSA-N 1 0 229.287 1.129 40 0 BDABRO Cc1cccc(-c2ccc(=O)n(CC[NH3+])n2)c1 ZINC000575622312 343869164 /nfs/dbraw/zinc/86/91/64/343869164.db2.gz HYXHLMHJEXQCEU-UHFFFAOYSA-N 1 0 229.283 1.177 40 0 BDABRO C[C@H]([NH3+])c1cnn(C[C@@H]2CCCOC2)c1 ZINC000585143039 344178842 /nfs/dbraw/zinc/17/88/42/344178842.db2.gz OTOLBYMCQWRTJK-UWVGGRQHSA-N 1 0 209.293 1.329 40 0 BDABRO Nc1n[nH]c2nc([C@@H]3CCCC[NH2+]3)ccc12 ZINC000019695517 347031903 /nfs/dbraw/zinc/03/19/03/347031903.db2.gz KMKAFWCFIQMFMT-QMMMGPOBSA-N 1 0 217.276 1.355 40 0 BDABRO CC[N@@H+]1CCC12CCN(C(=O)c1ccc[nH]1)CC2 ZINC000096078015 344366450 /nfs/dbraw/zinc/36/64/50/344366450.db2.gz CHYINAQBICTCGG-UHFFFAOYSA-N 1 0 247.342 1.715 40 0 BDABRO [NH3+]Cc1cncn1Cc1ccc(F)c(F)c1 ZINC000085198033 344507568 /nfs/dbraw/zinc/50/75/68/344507568.db2.gz WTWFDCHYTXSEDD-UHFFFAOYSA-N 1 0 223.226 1.668 40 0 BDABRO CC[NH+](CC)[C@@H](c1ccccc1)[C@@H](C[NH3+])CO ZINC000072210336 344511847 /nfs/dbraw/zinc/51/18/47/344511847.db2.gz FYOOYRIPBTWIDE-KBPBESRZSA-N 1 0 236.359 1.637 40 0 BDABRO [NH2+]=C(Cc1ccccc1)N1CCOCC1 ZINC000059925157 323090375 /nfs/dbraw/zinc/09/03/75/323090375.db2.gz DPPDDLQWEAMUSK-UHFFFAOYSA-N 1 0 204.273 1.539 40 0 BDABRO Cc1ccc2c(c1)oc(=O)n2C1CC[NH2+]CC1 ZINC000041630350 178960475 /nfs/dbraw/zinc/96/04/75/178960475.db2.gz LYPLLQJLGUQRCB-UHFFFAOYSA-N 1 0 232.283 1.827 40 0 BDABRO Cc1cccc(OC[C@H]2C[NH2+]CCO2)c1 ZINC000011587388 179172157 /nfs/dbraw/zinc/17/21/57/179172157.db2.gz URNKPKSMPXZPEE-GFCCVEGCSA-N 1 0 207.273 1.362 40 0 BDABRO Cc1cccc([C@H](O)C2(C[NH3+])CCOCC2)c1 ZINC000085395883 179202574 /nfs/dbraw/zinc/20/25/74/179202574.db2.gz HUHGIBXTPKRYDI-ZDUSSCGKSA-N 1 0 235.327 1.784 40 0 BDABRO Cc1cccc2c([C@@H](O)CC[NH3+])c[nH]c21 ZINC000082380343 179211884 /nfs/dbraw/zinc/21/18/84/179211884.db2.gz FRMBBKDPEDXHGD-NSHDSACASA-N 1 0 204.273 1.859 40 0 BDABRO Cc1ccccc1-c1nc(CC[NH3+])no1 ZINC000008729363 179238727 /nfs/dbraw/zinc/23/87/27/179238727.db2.gz MSFNPFVTFBIWPF-UHFFFAOYSA-N 1 0 203.245 1.546 40 0 BDABRO CCCC[C@H](CC)C(=O)N1CC[NH2+]CC1 ZINC000020481608 347518120 /nfs/dbraw/zinc/51/81/20/347518120.db2.gz GATHXBFJVRUGRD-NSHDSACASA-N 1 0 212.337 1.635 40 0 BDABRO CC(C)c1cc(CN2CC[NH2+]CC2)on1 ZINC000022763270 347604448 /nfs/dbraw/zinc/60/44/48/347604448.db2.gz APZJZLQNSCNBIU-UHFFFAOYSA-N 1 0 209.293 1.203 40 0 BDABRO C[N@@H+]1CC[C@@H](c2n[nH]cc2-c2ccnc(N)c2)C1 ZINC000205677856 348572426 /nfs/dbraw/zinc/57/24/26/348572426.db2.gz KVXWJNJPCRJQMX-SNVBAGLBSA-N 1 0 243.314 1.473 40 0 BDABRO CCOc1ccc([C@@H]2C[C@]2(C[NH3+])CO)cc1 ZINC000062713332 259405233 /nfs/dbraw/zinc/40/52/33/259405233.db2.gz PLJBQSGICFBIDR-STQMWFEESA-N 1 0 221.300 1.510 40 0 BDABRO CSc1nccc(OC[C@H]2CCC[NH2+]2)n1 ZINC000072203073 191004882 /nfs/dbraw/zinc/00/48/82/191004882.db2.gz JOVYXUWBSMNYJZ-MRVPVSSYSA-N 1 0 225.317 1.329 40 0 BDABRO CSc1nccc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000072203140 191005087 /nfs/dbraw/zinc/00/50/87/191005087.db2.gz OEXBUMVYDGVEBP-SECBINFHSA-N 1 0 239.344 1.719 40 0 BDABRO CCC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005427986 350087272 /nfs/dbraw/zinc/08/72/72/350087272.db2.gz LDCQPTDRQJWLOD-NWDGAFQWSA-N 1 0 224.348 1.777 40 0 BDABRO Cc1nc2ccccc2c(N2CC[C@H]([NH3+])C2)n1 ZINC000096516017 180003969 /nfs/dbraw/zinc/00/39/69/180003969.db2.gz UWCOXYYPAUZJPX-JTQLQIEISA-N 1 0 228.299 1.476 40 0 BDABRO Cc1nc(NC(=O)[C@@H]([NH3+])C(C)C)sc1C ZINC000042573138 180009669 /nfs/dbraw/zinc/00/96/69/180009669.db2.gz VFKRTIYLLFYGGJ-QMMMGPOBSA-N 1 0 227.333 1.682 40 0 BDABRO Cn1c(N)[nH+]cc1-c1ccc2c(c1)OCO2 ZINC000000873793 350346929 /nfs/dbraw/zinc/34/69/29/350346929.db2.gz IFFMVHLRENHEPF-UHFFFAOYSA-N 1 0 217.228 1.398 40 0 BDABRO Cc1nn(C)c(F)c1C[NH2+]C[C@@H]1CCCO1 ZINC000256051764 180351755 /nfs/dbraw/zinc/35/17/55/180351755.db2.gz KKZCICJQHRQEJH-VIFPVBQESA-N 1 0 227.283 1.136 40 0 BDABRO Cc1nn(C)cc1CN(C)C[C@H]1CCCC[NH2+]1 ZINC000096524002 180371396 /nfs/dbraw/zinc/37/13/96/180371396.db2.gz AVLPGGHLBRXMBI-CYBMUJFWSA-N 1 0 236.363 1.302 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000038539623 362965439 /nfs/dbraw/zinc/96/54/39/362965439.db2.gz IWWLKPPORQFPPZ-LBPRGKRZSA-N 1 0 208.280 1.749 40 0 BDABRO CC(C)(C)c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000019233356 363144234 /nfs/dbraw/zinc/14/42/34/363144234.db2.gz SKQGHAVHAHZUNK-QMMMGPOBSA-N 1 0 209.293 1.834 40 0 BDABRO Cc1ccc(OCc2noc(CC[NH3+])n2)cc1 ZINC000019786256 352739806 /nfs/dbraw/zinc/73/98/06/352739806.db2.gz BUTVMTMLPUKKEM-UHFFFAOYSA-N 1 0 233.271 1.458 40 0 BDABRO FC(F)CNc1cnc([C@@H]2CCC[NH2+]2)cn1 ZINC000072386916 180902316 /nfs/dbraw/zinc/90/23/16/180902316.db2.gz LVWNPOFQHAFRAV-ZETCQYMHSA-N 1 0 228.246 1.578 40 0 BDABRO CC1(C)N=C(Nc2ccc(F)cc2)NC(=[NH2+])N1 ZINC000000203677 188272156 /nfs/dbraw/zinc/27/21/56/188272156.db2.gz CNDSGGROBRBCIB-UHFFFAOYSA-N 1 0 235.266 1.248 40 0 BDABRO CC1=[NH+]CCNc2c3ccccc3n(C)c(=O)c21 ZINC000003846447 188275457 /nfs/dbraw/zinc/27/54/57/188275457.db2.gz YIWRRYAEZZEJBO-UHFFFAOYSA-N 1 0 241.294 1.773 40 0 BDABRO COc1ccc([C@]23CCC[N@@H+]2CCCN3)cc1 ZINC000019329203 188280747 /nfs/dbraw/zinc/28/07/47/188280747.db2.gz PMGLPQRIWNNHRB-AWEZNQCLSA-N 1 0 232.327 1.937 40 0 BDABRO CC(C)N(CC[NH3+])[C@H](C)c1cnccn1 ZINC000079422334 188291751 /nfs/dbraw/zinc/29/17/51/188291751.db2.gz LTPCDOIJYWPWSZ-SNVBAGLBSA-N 1 0 208.309 1.207 40 0 BDABRO CC(C)N(Cc1ccccc1F)C(=O)[C@H](C)[NH3+] ZINC000079420557 188291845 /nfs/dbraw/zinc/29/18/45/188291845.db2.gz ZJTTZUWRNWUGAI-JTQLQIEISA-N 1 0 238.306 1.910 40 0 BDABRO CC(=O)N1CCCC[C@@H]1C[N@@H+](CCO)C(C)C ZINC000079405427 188292130 /nfs/dbraw/zinc/29/21/30/188292130.db2.gz SYJMBZSGIUGZJF-CYBMUJFWSA-N 1 0 242.363 1.090 40 0 BDABRO O=C1Oc2ccccc2C12CC[NH2+]CC2 ZINC000044137601 188296517 /nfs/dbraw/zinc/29/65/17/188296517.db2.gz IXPNINVKWCBKDH-UHFFFAOYSA-N 1 0 203.241 1.227 40 0 BDABRO CC(C)[N@@H+]1CCC[C@@H]1c1cc(CCO)n[nH]1 ZINC000072381385 188306515 /nfs/dbraw/zinc/30/65/15/188306515.db2.gz DUMIXPHNIFSMHB-GFCCVEGCSA-N 1 0 223.320 1.490 40 0 BDABRO CC(C)(C)c1cc(CN2CCC[C@H]([NH3+])C2)[nH]n1 ZINC000096523541 188321526 /nfs/dbraw/zinc/32/15/26/188321526.db2.gz VMNXHSGITBYWEK-JTQLQIEISA-N 1 0 236.363 1.630 40 0 BDABRO C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000082320036 188313106 /nfs/dbraw/zinc/31/31/06/188313106.db2.gz ZHBSOBRTWCHELU-GFCCVEGCSA-N 1 0 224.348 1.731 40 0 BDABRO CC(C)[C@H]([NH3+])c1nc(-c2cccnc2)n[nH]1 ZINC000095534724 188320189 /nfs/dbraw/zinc/32/01/89/188320189.db2.gz ZGGIALRZKSIUOT-VIFPVBQESA-N 1 0 217.276 1.523 40 0 BDABRO C(OC[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)C1CC1 ZINC000107488033 188324774 /nfs/dbraw/zinc/32/47/74/188324774.db2.gz SXGIIDOXJNZQDE-IJLUTSLNSA-N 1 0 211.305 1.323 40 0 BDABRO CCCC[C@H]1C[C@H](OCCOCC)C[NH2+]1 ZINC000217861976 188355905 /nfs/dbraw/zinc/35/59/05/188355905.db2.gz RYGWORIXCFPDHY-RYUDHWBXSA-N 1 0 215.337 1.960 40 0 BDABRO Cc1nn(C)cc1C[NH2+]Cc1ccnn1C(C)C ZINC000256052439 188370117 /nfs/dbraw/zinc/37/01/17/188370117.db2.gz NIKSGBOBICGMBP-UHFFFAOYSA-N 1 0 247.346 1.796 40 0 BDABRO Cc1csc2c1ncnc2N1CCC[NH2+]CC1 ZINC000012955380 356424582 /nfs/dbraw/zinc/42/45/82/356424582.db2.gz VINSIKPBMPNAJX-UHFFFAOYSA-N 1 0 248.355 1.799 40 0 BDABRO CC[C@H](C)[N@H+](C1CC1)[C@H]1CNCC[C@@]1(C)O ZINC000685936324 538754965 /nfs/dbraw/zinc/75/49/65/538754965.db2.gz QMSBJDKRCKCHIB-WCFLWFBJSA-N 1 0 226.364 1.362 40 0 BDABRO NC(=O)c1cc([C@@H]2CC[NH2+]C2)nc2ccccc21 ZINC000019695430 181291974 /nfs/dbraw/zinc/29/19/74/181291974.db2.gz ACQBSGILGMNAON-SECBINFHSA-N 1 0 241.294 1.411 40 0 BDABRO [NH3+][C@@H](CO)c1cc(Br)cs1 ZINC000041678727 358333873 /nfs/dbraw/zinc/33/38/73/358333873.db2.gz YEKUOYPMPXADTL-YFKPBYRVSA-N 1 0 222.107 1.503 40 0 BDABRO [NH3+]C1CCN(Cc2cn3cc(F)ccc3n2)CC1 ZINC000082694490 181344641 /nfs/dbraw/zinc/34/46/41/181344641.db2.gz ISTGIMNRWJIWTJ-UHFFFAOYSA-N 1 0 248.305 1.397 40 0 BDABRO [NH3+]C1CCN(Cc2cnn(CC3CC3)c2)CC1 ZINC000328579651 181345134 /nfs/dbraw/zinc/34/51/34/181345134.db2.gz UYKIYBVFWWRKMQ-UHFFFAOYSA-N 1 0 234.347 1.216 40 0 BDABRO [NH3+]CC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000037807690 181347715 /nfs/dbraw/zinc/34/77/15/181347715.db2.gz QTDIFKLFXIWRHJ-UHFFFAOYSA-N 1 0 222.263 1.275 40 0 BDABRO [NH3+]CC1(Cc2ccccc2)CCOCC1 ZINC000061673917 181360742 /nfs/dbraw/zinc/36/07/42/181360742.db2.gz YHZHBSLUNSCPNV-UHFFFAOYSA-N 1 0 205.301 1.985 40 0 BDABRO [NH3+]CCO[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000096528326 181398999 /nfs/dbraw/zinc/39/89/99/181398999.db2.gz LLVUUXZVPVWYQS-GFCCVEGCSA-N 1 0 224.279 1.380 40 0 BDABRO [NH3+]CCO[C@@H]1CCN(c2cccc(F)c2)C1 ZINC000096528330 181399540 /nfs/dbraw/zinc/39/95/40/181399540.db2.gz NFULZWTZEYXLOB-GFCCVEGCSA-N 1 0 224.279 1.380 40 0 BDABRO [NH3+]CCc1c(Br)cncc1[N+](=O)[O-] ZINC000165541930 368352594 /nfs/dbraw/zinc/35/25/94/368352594.db2.gz NWGNVNWONCDTDL-UHFFFAOYSA-N 1 0 246.064 1.254 40 0 BDABRO Nc1cccc(C[C@H]2COC3(C2)CC[NH2+]CC3)n1 ZINC000205681058 368356850 /nfs/dbraw/zinc/35/68/50/368356850.db2.gz LHNLTNNRVNIAFW-LLVKDONJSA-N 1 0 247.342 1.365 40 0 BDABRO Nc1nc2nc(C3CC[NH2+]CC3)ccc2s1 ZINC000205687034 368358576 /nfs/dbraw/zinc/35/85/76/368358576.db2.gz DWCPGUZVXHQOBD-UHFFFAOYSA-N 1 0 234.328 1.741 40 0 BDABRO FC(F)CNc1nccnc1C1CC[NH2+]CC1 ZINC000205697924 368359840 /nfs/dbraw/zinc/35/98/40/368359840.db2.gz FUSYZLRWEFWYPM-UHFFFAOYSA-N 1 0 242.273 1.621 40 0 BDABRO [NH3+]C[C@@H]1CCN1C(=O)OCc1ccccc1 ZINC000016083195 181435711 /nfs/dbraw/zinc/43/57/11/181435711.db2.gz PPUBHDIIKVQLMJ-NSHDSACASA-N 1 0 220.272 1.356 40 0 BDABRO [NH3+]C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 ZINC000002525881 181460270 /nfs/dbraw/zinc/46/02/70/181460270.db2.gz MJTYLDGVLFSXDG-YPMHNXCESA-N 1 0 221.300 1.729 40 0 world BDABRO C[N@@H+]1CCC[C@H](CO)[C@H]1c1cccnc1 ZINC000110754798 369975596 /nfs/dbraw/zinc/97/55/96/369975596.db2.gz PEGYGTJMLPKERQ-VXGBXAGGSA-N 1 0 206.289 1.457 40 0 BDABRO CNc1cc(C)nc([C@]2(C)CCC[NH2+]C2)n1 ZINC000205684667 369996505 /nfs/dbraw/zinc/99/65/05/369996505.db2.gz PXBPQRYDPJUMNA-GFCCVEGCSA-N 1 0 220.320 1.468 40 0 BDABRO Cn1cncc1-c1cncc([C@@H]2CCC[NH2+]C2)n1 ZINC000205690145 369996753 /nfs/dbraw/zinc/99/67/53/369996753.db2.gz SZHNASVQTXUBTR-SNVBAGLBSA-N 1 0 243.314 1.344 40 0 BDABRO c1cc2cc(C[C@H]3C[NH2+]CCOC3)ccc2[nH]1 ZINC000205703303 369997971 /nfs/dbraw/zinc/99/79/71/369997971.db2.gz IHZGCOJGIKLUAV-LBPRGKRZSA-N 1 0 230.311 1.946 40 0 BDABRO CC(C)[NH2+][C@H]1CCN(c2ccc(N)cn2)C1 ZINC000256052020 370635791 /nfs/dbraw/zinc/63/57/91/370635791.db2.gz LOEVDIIMFACTKM-NSHDSACASA-N 1 0 220.320 1.241 40 0 BDABRO C[C@](O)(c1c[nH+]ccc1N)C(F)(F)F ZINC000256054397 370638011 /nfs/dbraw/zinc/63/80/11/370638011.db2.gz WCGHONGFMNNUJP-ZETCQYMHSA-N 1 0 206.167 1.434 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2cnn(CC3CC3)c2)C1 ZINC000328579569 181645144 /nfs/dbraw/zinc/64/51/44/181645144.db2.gz PBGUIYYRONCHSL-ZDUSSCGKSA-N 1 0 234.347 1.216 40 0 BDABRO [NH3+]C[C@H]1C[C@H](C(F)(F)F)C[C@@H]2OCC[C@@H]21 ZINC000225761761 371574048 /nfs/dbraw/zinc/57/40/48/371574048.db2.gz VPKPDQBQCZBISA-XAVMHZPKSA-N 1 0 223.238 1.939 40 0 BDABRO O=C(CCc1ccccc1)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096054069 181930010 /nfs/dbraw/zinc/93/00/10/181930010.db2.gz ZRZQPRQWUNAZCO-KGLIPLIRSA-N 1 0 244.338 1.440 40 0 BDABRO O=C(Cc1cccc(F)c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036236741 182040808 /nfs/dbraw/zinc/04/08/08/182040808.db2.gz LAUFENUNVSYYHQ-WCQYABFASA-N 1 0 248.301 1.189 40 0 BDABRO O=C(NCCC[NH+]1CCCCC1)c1cccnc1 ZINC000003654374 182166433 /nfs/dbraw/zinc/16/64/33/182166433.db2.gz FAXQQQWOLVINSQ-UHFFFAOYSA-N 1 0 247.342 1.687 40 0 BDABRO O=C(Nc1ccccc1Cl)N1CC[NH2+]CC1 ZINC000000873717 182378401 /nfs/dbraw/zinc/37/84/01/182378401.db2.gz NRXGOKYUGMAKBJ-UHFFFAOYSA-N 1 0 239.706 1.777 40 0 BDABRO CCCC[NH2+]C[C@H](O)COCC(C)C ZINC000005419924 168868410 /nfs/dbraw/zinc/86/84/10/168868410.db2.gz ZOEXNPHIIILWEF-NSHDSACASA-N 1 0 203.326 1.410 40 0 BDABRO OCC1([NH2+]C[C@H]2C[C@H]3C=C[C@@H]2C3)CCOCC1 ZINC000195537227 183037679 /nfs/dbraw/zinc/03/76/79/183037679.db2.gz MCHHVLUDGJROQR-YNEHKIRRSA-N 1 0 237.343 1.330 40 0 BDABRO OCC[NH2+]CCNCc1ccccc1Cl ZINC000023468431 183078154 /nfs/dbraw/zinc/07/81/54/183078154.db2.gz OOLPEYPEURTGEB-UHFFFAOYSA-N 1 0 228.723 1.012 40 0 BDABRO OCC[N@H+](Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000079421386 183069302 /nfs/dbraw/zinc/06/93/02/183069302.db2.gz WOIVAJKXFXGULF-UHFFFAOYSA-N 1 0 249.310 1.415 40 0 BDABRO OCCc1cc([C@H]2CCCC[N@@H+]2CC2CC2)[nH]n1 ZINC000072350803 183100681 /nfs/dbraw/zinc/10/06/81/183100681.db2.gz BAHHTGTZNWCQQT-CQSZACIVSA-N 1 0 249.358 1.882 40 0 BDABRO OC[C@@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000005553640 183123026 /nfs/dbraw/zinc/12/30/26/183123026.db2.gz MOAXSRVLHDNZLR-CQSZACIVSA-N 1 0 235.327 1.517 40 0 BDABRO OCc1cc([C@H]2CCC[N@H+](CC3CC3)C2)n[nH]1 ZINC000072350801 183161941 /nfs/dbraw/zinc/16/19/41/183161941.db2.gz REGZDTOKEOAOJK-NSHDSACASA-N 1 0 235.331 1.491 40 0 BDABRO CCC[NH+](CCC)Cc1cc(N)n(C)n1 ZINC000058083907 169149064 /nfs/dbraw/zinc/14/90/64/169149064.db2.gz FCCBWNMWIGNWOM-UHFFFAOYSA-N 1 0 210.325 1.624 40 0 BDABRO O=c1cc([C@@H]2CCCC[NH2+]2)nc2[nH]ccn21 ZINC000257259886 183261274 /nfs/dbraw/zinc/26/12/74/183261274.db2.gz LAMXYRHUWSLAQD-QMMMGPOBSA-N 1 0 218.260 1.250 40 0 BDABRO c1cc(-c2cnc3n2CC[C@]32CC[NH2+]C2)co1 ZINC000306135209 183329317 /nfs/dbraw/zinc/32/93/17/183329317.db2.gz OLBIFCSALMOAMY-ZDUSSCGKSA-N 1 0 229.283 1.778 40 0 BDABRO c1cc(-c2nnc([C@H]3CCC[NH2+]3)[nH]2)ccn1 ZINC000012114037 183330314 /nfs/dbraw/zinc/33/03/14/183330314.db2.gz NNOPUXKJLMFDAQ-SECBINFHSA-N 1 0 215.260 1.291 40 0 BDABRO CCC[NH2+]C[C@H](O)Cc1ccc(OCC)cc1 ZINC000001672742 169263675 /nfs/dbraw/zinc/26/36/75/169263675.db2.gz HLJJIHKXUZIEOH-CYBMUJFWSA-N 1 0 237.343 1.988 40 0 BDABRO c1ccc(CC[NH2+]Cc2ccccn2)nc1 ZINC000013281552 183393153 /nfs/dbraw/zinc/39/31/53/183393153.db2.gz GNAHOLRYNAIPHY-UHFFFAOYSA-N 1 0 213.284 1.809 40 0 BDABRO CCC[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000256053359 169268755 /nfs/dbraw/zinc/26/87/55/169268755.db2.gz RDHIARSEPLDUPS-UHFFFAOYSA-N 1 0 221.226 1.939 40 0 BDABRO CCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000054719424 169269975 /nfs/dbraw/zinc/26/99/75/169269975.db2.gz KBDZUPYDRNRLHE-UHFFFAOYSA-N 1 0 203.236 1.648 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@H]1C[C@@H]([NH3+])CO ZINC000002527634 166649034 /nfs/dbraw/zinc/64/90/34/166649034.db2.gz KYFURKFJGCSLKC-ZJUUUORDSA-N 1 0 244.335 1.096 40 0 BDABRO C[C@@H]1Cc2ccc(OCC[NH+](C)C)cc2[C@H]1O ZINC000001668189 383919056 /nfs/dbraw/zinc/91/90/56/383919056.db2.gz CEOBYMIETDTWSK-YGRLFVJLSA-N 1 0 235.327 1.853 40 0 BDABRO CCCC[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001710401 383928961 /nfs/dbraw/zinc/92/89/61/383928961.db2.gz VHNVXIXPZPUTGD-UHFFFAOYSA-N 1 0 236.315 1.815 40 0 BDABRO C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000038121261 383975715 /nfs/dbraw/zinc/97/57/15/383975715.db2.gz XMIUEEBDEWNEOF-VIFPVBQESA-N 1 0 219.206 1.958 40 0 BDABRO Cc1cc2c(ncn2CN2CCOCC2)c(C)c1 ZINC000073634231 384024963 /nfs/dbraw/zinc/02/49/63/384024963.db2.gz MHGZJLDRWZDLCI-UHFFFAOYSA-N 1 0 245.326 1.943 40 0 BDABRO N[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000035677011 384088604 /nfs/dbraw/zinc/08/86/04/384088604.db2.gz RZAHNHAAWBMEIF-SSDOTTSWSA-N 1 0 205.088 1.952 40 0 BDABRO C[C@H](NC1CC[NH2+]CC1)c1ccccn1 ZINC000038040650 384061303 /nfs/dbraw/zinc/06/13/03/384061303.db2.gz CDUJSRKGPBLLBY-JTQLQIEISA-N 1 0 205.305 1.484 40 0 BDABRO [NH3+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000069978242 384069858 /nfs/dbraw/zinc/06/98/58/384069858.db2.gz LWOGDFBJRHHJTN-SECBINFHSA-N 1 0 210.664 1.792 40 0 BDABRO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1cccnc1 ZINC000005162359 384103691 /nfs/dbraw/zinc/10/36/91/384103691.db2.gz DVQVJRFKIRFPAA-ZDUSSCGKSA-N 1 0 241.294 1.590 40 0 BDABRO CC(C)[N@H+](C)C[C@H]1CCC[NH+](CC(=O)[O-])C1 ZINC000079419752 384142480 /nfs/dbraw/zinc/14/24/80/384142480.db2.gz BWKSUZHXOCUDIW-LLVKDONJSA-N 1 0 228.336 1.123 40 0 BDABRO CN(CC[NH3+])Cc1ccc(Br)nc1 ZINC000079421572 384143480 /nfs/dbraw/zinc/14/34/80/384143480.db2.gz XPMJGIJVNLTLOL-UHFFFAOYSA-N 1 0 244.136 1.235 40 0 BDABRO CC(C)(C)c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000062256952 384163085 /nfs/dbraw/zinc/16/30/85/384163085.db2.gz ZXAADZDDAQZNCO-QMMMGPOBSA-N 1 0 209.293 1.834 40 0 BDABRO Cc1ccc(OC[C@H](O)C[NH3+])c(C(C)(C)C)c1 ZINC000008028935 384190987 /nfs/dbraw/zinc/19/09/87/384190987.db2.gz VISTYIMPEPOLNW-LLVKDONJSA-N 1 0 237.343 1.991 40 0 BDABRO Cc1c(NC(=O)CC2CC[NH2+]CC2)cnn1C ZINC000072343356 384208651 /nfs/dbraw/zinc/20/86/51/384208651.db2.gz IZCZLILRSLECOP-UHFFFAOYSA-N 1 0 236.319 1.057 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000008699267 384209445 /nfs/dbraw/zinc/20/94/45/384209445.db2.gz ZACOZGRAXFFGLR-QWRGUYRKSA-N 1 0 239.702 1.816 40 0 BDABRO CC(C)[NH+]1CCC(c2cncn2CCO)CC1 ZINC000072356948 384211246 /nfs/dbraw/zinc/21/12/46/384211246.db2.gz NMFYXJPYQOGGNR-UHFFFAOYSA-N 1 0 237.347 1.463 40 0 BDABRO CNc1cc(C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072381299 384217311 /nfs/dbraw/zinc/21/73/11/384217311.db2.gz UYCZSBKJDIJBHQ-JTQLQIEISA-N 1 0 220.320 1.636 40 0 BDABRO c1cncc(-c2cnc([C@H]3CCC[NH2+]3)cn2)c1 ZINC000072386806 384220075 /nfs/dbraw/zinc/22/00/75/384220075.db2.gz HTIRNDSOZOMIST-LLVKDONJSA-N 1 0 226.283 1.963 40 0 BDABRO c1cncc(-c2n[nH]c([C@H]3CCC[NH2+]C3)n2)c1 ZINC000012114032 384307065 /nfs/dbraw/zinc/30/70/65/384307065.db2.gz KHBKSNQUUZMONT-JTQLQIEISA-N 1 0 229.287 1.334 40 0 BDABRO C[NH+](C)[C@H]1CC[C@H]([N@H+](CC(=O)[O-])C2CC2)CC1 ZINC000100178005 384283532 /nfs/dbraw/zinc/28/35/32/384283532.db2.gz GVNQGHAYNYPCDX-PHIMTYICSA-N 1 0 240.347 1.408 40 0 BDABRO CC(C)CCC(=O)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000077480722 384291343 /nfs/dbraw/zinc/29/13/43/384291343.db2.gz TZJMGAIULMOCDR-MNOVXSKESA-N 1 0 210.321 1.243 40 0 BDABRO Fc1ccc(-n2cnnc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000082552805 384328483 /nfs/dbraw/zinc/32/84/83/384328483.db2.gz QZKOXNHSSOVKAP-SNVBAGLBSA-N 1 0 246.289 1.873 40 0 BDABRO Fc1cccc(-n2cnnc2C2CC[NH2+]CC2)c1 ZINC000082552807 384328579 /nfs/dbraw/zinc/32/85/79/384328579.db2.gz ZRVVGCIQDAGQDQ-UHFFFAOYSA-N 1 0 246.289 1.873 40 0 BDABRO CC(C)(C)OC(=O)NCC1(C[NH3+])CC(F)C1 ZINC000095743175 384393477 /nfs/dbraw/zinc/39/34/77/384393477.db2.gz VLFFYQYFYLJQHF-UHFFFAOYSA-N 1 0 232.299 1.588 40 0 BDABRO C[C@H]([NH3+])c1nnc(-c2ccc(O)cc2)[nH]1 ZINC000061843914 384383178 /nfs/dbraw/zinc/38/31/78/384383178.db2.gz ULNOECSBYOKOHC-LURJTMIESA-N 1 0 204.233 1.197 40 0 BDABRO [NH3+]Cc1ccc(Br)c(Cl)n1 ZINC000095630935 384384983 /nfs/dbraw/zinc/38/49/83/384384983.db2.gz KPZURHJJIQHLIT-UHFFFAOYSA-N 1 0 221.485 1.956 40 0 BDABRO F[C@H]1CC[NH2+]C[C@]12CCN(Cc1ccncc1)C2 ZINC000096241247 384445149 /nfs/dbraw/zinc/44/51/49/384445149.db2.gz PAYRGVYUQFNYRC-KBPBESRZSA-N 1 0 249.333 1.605 40 0 BDABRO CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CC1CC1 ZINC000096260282 384445777 /nfs/dbraw/zinc/44/57/77/384445777.db2.gz HITCERALPFOPJV-ZDUSSCGKSA-N 1 0 249.358 1.766 40 0 BDABRO CCCCOCCC[NH2+]C[C@@H](C)C(=O)OC ZINC000047219156 384447010 /nfs/dbraw/zinc/44/70/10/384447010.db2.gz YCWIPQYSLFYFGK-LLVKDONJSA-N 1 0 231.336 1.592 40 0 BDABRO C[N@@H+]1CCC[C@@H](C(=O)NCCc2ccccc2)C1 ZINC000078578391 384450190 /nfs/dbraw/zinc/45/01/90/384450190.db2.gz XWGAEGPDSXDLOY-CQSZACIVSA-N 1 0 246.354 1.687 40 0 BDABRO [NH3+]C[C@@H]1CN(Cc2cccc(Cl)c2)CCO1 ZINC000016083132 384450989 /nfs/dbraw/zinc/45/09/89/384450989.db2.gz MSRSSSIIOKVGIL-GFCCVEGCSA-N 1 0 240.734 1.500 40 0 BDABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccco3)CC2)N1 ZINC000096047435 384429258 /nfs/dbraw/zinc/42/92/58/384429258.db2.gz XXQFJNGEJZPGJL-AWEZNQCLSA-N 1 0 248.326 1.914 40 0 BDABRO Cc1cc(C)cc(CN2C[C@@H]3C[C@]3([NH3+])C2)c1 ZINC000096082172 384435270 /nfs/dbraw/zinc/43/52/70/384435270.db2.gz AXMRCBHFAITPLG-KBPBESRZSA-N 1 0 216.328 1.836 40 0 BDABRO c1cncc(N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000096222815 384443615 /nfs/dbraw/zinc/44/36/15/384443615.db2.gz UABSRGDCVKHCIB-CHWSQXEVSA-N 1 0 233.315 1.405 40 0 BDABRO O=C1c2ccccc2C[C@H]1[C@@H]1CCC[NH2+]1 ZINC000019695368 384532665 /nfs/dbraw/zinc/53/26/65/384532665.db2.gz ITATZIBCEDJSHE-RYUDHWBXSA-N 1 0 201.269 1.794 40 0 BDABRO C[C@]1([NH3+])CCCN(Cc2ccccc2)C1 ZINC000082380028 384676272 /nfs/dbraw/zinc/67/62/72/384676272.db2.gz WVCJHFSAQOVXDK-ZDUSSCGKSA-N 1 0 204.317 2.000 40 0 BDABRO Cc1ccsc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000052093006 384713004 /nfs/dbraw/zinc/71/30/04/384713004.db2.gz FSOGTDWPBYPVHI-QMMMGPOBSA-N 1 0 210.302 1.148 40 0 BDABRO Cc1noc(C)c1[C@H]1CCCN1CC[NH3+] ZINC000022763037 384774163 /nfs/dbraw/zinc/77/41/63/384774163.db2.gz XLOVCVALEQYLTK-SNVBAGLBSA-N 1 0 209.293 1.387 40 0 BDABRO Cn1c2ccccc2cc(CC[NH3+])c1=O ZINC000071495030 384929656 /nfs/dbraw/zinc/92/96/56/384929656.db2.gz LZTUQTLMUFAVFN-UHFFFAOYSA-N 1 0 202.257 1.040 40 0 BDABRO Cc1ccc(OC(C)C)c(C[NH2+]CCO)c1 ZINC000095094929 384962768 /nfs/dbraw/zinc/96/27/68/384962768.db2.gz JWDAXRKOKSYSCC-UHFFFAOYSA-N 1 0 223.316 1.864 40 0 BDABRO c1ccc(CN2Cc3cncnc3C2)cc1 ZINC000072206891 385058246 /nfs/dbraw/zinc/05/82/46/385058246.db2.gz CMJVIOQTXNYNOD-UHFFFAOYSA-N 1 0 211.268 1.992 40 0 BDABRO C[C@H]([NH3+])[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000072208852 385063823 /nfs/dbraw/zinc/06/38/23/385063823.db2.gz CABIRYRCSXLJTD-CIUDSAMLSA-N 1 0 232.299 1.681 40 0 BDABRO CC[C@H]([NH3+])[C@H](C)NC(=O)OC(C)(C)C ZINC000072208904 385065023 /nfs/dbraw/zinc/06/50/23/385065023.db2.gz STQXVGTXOOQFKZ-YUMQZZPRSA-N 1 0 202.298 1.637 40 0 BDABRO CC[C@H]([NH3+])c1ccc(N2CCOCC2)nc1C ZINC000072224603 385119087 /nfs/dbraw/zinc/11/90/87/385119087.db2.gz MYYFDTZXXMPOKV-LBPRGKRZSA-N 1 0 235.331 1.636 40 0 BDABRO [NH3+]Cc1ccc(I)nc1 ZINC000072225924 385125724 /nfs/dbraw/zinc/12/57/24/385125724.db2.gz GJLUJVBIKCHHEH-UHFFFAOYSA-N 1 0 234.040 1.145 40 0 BDABRO CC(C)n1cc([C@@H](O)C2(C[NH3+])CCC2)cn1 ZINC000085395980 385161964 /nfs/dbraw/zinc/16/19/64/385161964.db2.gz CUMCYGMAHDAZQE-LLVKDONJSA-N 1 0 223.320 1.626 40 0 BDABRO Cc1nc(C2CC2)nc(N2CC[NH2+]CC2)c1C ZINC000096516925 385256707 /nfs/dbraw/zinc/25/67/07/385256707.db2.gz QVADOAHQEHJZTD-UHFFFAOYSA-N 1 0 232.331 1.380 40 0 BDABRO CC[C@@H](C)[C@@H]([NH3+])c1nc2cnccc2c(=O)[nH]1 ZINC000096510446 385249426 /nfs/dbraw/zinc/24/94/26/385249426.db2.gz JQTFBPXJFVGEPQ-GMSGAONNSA-N 1 0 232.287 1.776 40 0 BDABRO [NH3+][C@@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000050227863 385310202 /nfs/dbraw/zinc/31/02/02/385310202.db2.gz ARSVSLJJGJZYQU-SSDOTTSWSA-N 1 0 245.120 1.575 40 0 BDABRO CCCn1nc(C)cc1CN(C)C[C@H](C)[NH3+] ZINC000096523913 385272096 /nfs/dbraw/zinc/27/20/96/385272096.db2.gz NRPKCYPGOWCCRH-JTQLQIEISA-N 1 0 224.352 1.381 40 0 BDABRO Cc1ccc(N2CC[C@H](OCC[NH3+])C2)cc1 ZINC000096528312 385273948 /nfs/dbraw/zinc/27/39/48/385273948.db2.gz QIMRBZGUGJQVSA-ZDUSSCGKSA-N 1 0 220.316 1.549 40 0 BDABRO c1ccc2c(c1)C[NH2+]C[C@@H]2N1CCCC1 ZINC000020270307 385368632 /nfs/dbraw/zinc/36/86/32/385368632.db2.gz AEOIWUMKLYANOM-ZDUSSCGKSA-N 1 0 202.301 1.927 40 0 BDABRO [NH3+][C@@H]1CCN(CCOc2ccc(F)cc2)C1 ZINC000050242961 385471969 /nfs/dbraw/zinc/47/19/69/385471969.db2.gz KSKCHOMALLABJE-LLVKDONJSA-N 1 0 224.279 1.238 40 0 BDABRO c1ccc2c(CN3CC[NH2+]CC3)ccnc2c1 ZINC000022884746 385545074 /nfs/dbraw/zinc/54/50/74/385545074.db2.gz GIZRHQKDMZBGBP-UHFFFAOYSA-N 1 0 227.311 1.640 40 0 BDABRO CCSc1ncc(C[NH2+]C(C)(C)CO)cn1 ZINC000062717282 385710853 /nfs/dbraw/zinc/71/08/53/385710853.db2.gz URVYBXIUJVAHAB-UHFFFAOYSA-N 1 0 241.360 1.449 40 0 BDABRO CCc1nc(-c2cncnc2[C@@H]2CC[NH2+]C2)no1 ZINC000019695445 385669507 /nfs/dbraw/zinc/66/95/07/385669507.db2.gz IBPMVOADBZCOPH-MRVPVSSYSA-N 1 0 245.286 1.166 40 0 BDABRO CNc1cc([C@@H]2CCC[N@@H+]2C)nc(C)n1 ZINC000257252893 385757186 /nfs/dbraw/zinc/75/71/86/385757186.db2.gz JWONDWWDFHERKM-JTQLQIEISA-N 1 0 206.293 1.593 40 0 BDABRO CC(C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000096268807 385916654 /nfs/dbraw/zinc/91/66/54/385916654.db2.gz LZTILEGDGLJYTD-GFCCVEGCSA-N 1 0 210.321 1.245 40 0 BDABRO CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[NH2+]C2)O1 ZINC000306129306 385991009 /nfs/dbraw/zinc/99/10/09/385991009.db2.gz IAHPLARDMNWYMK-DGCLKSJQSA-N 1 0 240.347 1.060 40 0 BDABRO O=C1[C@H]2C[NH2+]C[C@@H]2CN1Cc1cccc(F)c1 ZINC000306143462 385992264 /nfs/dbraw/zinc/99/22/64/385992264.db2.gz YCURCMPDXAEFOD-PWSUYJOCSA-N 1 0 234.274 1.004 40 0 BDABRO COC(=O)c1ccc2c(c1)OCC[C@@]21CC[NH2+]1 ZINC000306145512 385994335 /nfs/dbraw/zinc/99/43/35/385994335.db2.gz HGIMZXDCWJMDFL-ZDUSSCGKSA-N 1 0 233.267 1.444 40 0 BDABRO [NH3+]C[C@@H]1[C@H](F)CCCN1Cc1ccccc1 ZINC000263583533 386147447 /nfs/dbraw/zinc/14/74/47/386147447.db2.gz ICHZCEZXZLAOOB-CHWSQXEVSA-N 1 0 222.307 1.948 40 0 BDABRO COC(=O)[C@H]1C[C@@H]([NH3+])c2cc(F)ccc2O1 ZINC000040546786 386219840 /nfs/dbraw/zinc/21/98/40/386219840.db2.gz GKJNKHRZXFQWAP-PSASIEDQSA-N 1 0 225.219 1.150 40 0 BDABRO CCc1ccc(C[NH2+]C[C@@H]2CCCO2)[nH]1 ZINC000226019309 386232858 /nfs/dbraw/zinc/23/28/58/386232858.db2.gz JIKDWZPEDLBDQO-LBPRGKRZSA-N 1 0 208.305 1.846 40 0 BDABRO Cc1noc([C@H]2C[NH2+]C[C@@H]2c2cccs2)n1 ZINC000328579461 386527888 /nfs/dbraw/zinc/52/78/88/386527888.db2.gz JSOYNKZEHUNFPH-IUCAKERBSA-N 1 0 235.312 1.910 40 0 BDABRO O=C1c2ccc(F)cc2CN1[C@@H]1CCC[NH2+]C1 ZINC000098213937 386581248 /nfs/dbraw/zinc/58/12/48/386581248.db2.gz SHRASXSCNDUODQ-LLVKDONJSA-N 1 0 234.274 1.534 40 0 BDABRO O=C1c2cc(F)ccc2CN1[C@H]1CCC[NH2+]C1 ZINC000098213940 386582103 /nfs/dbraw/zinc/58/21/03/386582103.db2.gz MHCSBVSQWPBNMT-NSHDSACASA-N 1 0 234.274 1.534 40 0 BDABRO c1ccc(CN2CCO[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000096082157 386587671 /nfs/dbraw/zinc/58/76/71/386587671.db2.gz OLWKHFKTUXKTFC-ZIAGYGMSSA-N 1 0 232.327 1.249 40 0 BDABRO CO[C@@H]1Cn2nccc2C[N@@H+](C2CCCC2)C1 ZINC000247834581 386734352 /nfs/dbraw/zinc/73/43/52/386734352.db2.gz IOPGONIETHSFCO-ZDUSSCGKSA-N 1 0 235.331 1.656 40 0 BDABRO O=C1c2c(cccc2F)CN1[C@@H]1CC[NH2+]C1 ZINC000095483712 386991143 /nfs/dbraw/zinc/99/11/43/386991143.db2.gz OOQQBEOILNZGGM-SECBINFHSA-N 1 0 220.247 1.143 40 0 BDABRO COc1ccccc1[C@@H]1C[N@H+](C)C[C@H]1CO ZINC000242648366 386949952 /nfs/dbraw/zinc/94/99/52/386949952.db2.gz QUNRHFORAMKQMF-CMPLNLGQSA-N 1 0 221.300 1.333 40 0 BDABRO CCn1cc(-c2noc([C@H]3CCC[NH2+]C3)n2)cn1 ZINC000575410781 387014864 /nfs/dbraw/zinc/01/48/64/387014864.db2.gz HJBBDGWGNDRXCL-VIFPVBQESA-N 1 0 247.302 1.420 40 0 BDABRO [NH3+]CCn1cccc1-c1noc(C2CC2)n1 ZINC000575415099 387023137 /nfs/dbraw/zinc/02/31/37/387023137.db2.gz BGLMARKKFSVIMI-UHFFFAOYSA-N 1 0 218.260 1.374 40 0 BDABRO O=c1[nH]c(-c2ccccc2)nc2c1C[NH2+]CC2 ZINC000034135552 387120152 /nfs/dbraw/zinc/12/01/52/387120152.db2.gz JUBDGRFMGFWJFS-UHFFFAOYSA-N 1 0 227.267 1.083 40 0 BDABRO CCCn1nccc1C[NH2+]CCCOC ZINC000164827738 387853081 /nfs/dbraw/zinc/85/30/81/387853081.db2.gz MXQGZTNHQQJGRV-UHFFFAOYSA-N 1 0 211.309 1.419 40 0 BDABRO CCCn1cc(C[NH2+]Cc2cnn(C)c2)c(C)n1 ZINC000256050912 387857971 /nfs/dbraw/zinc/85/79/71/387857971.db2.gz GZCOUOXYQYPXIA-UHFFFAOYSA-N 1 0 247.346 1.625 40 0 BDABRO Cn1cccc1C[NH2+]Cc1ccnn1CCF ZINC000256051187 387858247 /nfs/dbraw/zinc/85/82/47/387858247.db2.gz IBKDOUHIBXXKBL-UHFFFAOYSA-N 1 0 236.294 1.481 40 0 BDABRO CCCn1nc(C)cc1C[NH2+]C[C@H]1CCCO1 ZINC000256052754 387860168 /nfs/dbraw/zinc/86/01/68/387860168.db2.gz ONFSKPTYQUKULD-CYBMUJFWSA-N 1 0 237.347 1.870 40 0 BDABRO COC(=O)C12CCC(C[NH3+])(CC1)CCC2 ZINC000306145808 387864257 /nfs/dbraw/zinc/86/42/57/387864257.db2.gz QXDDGYOJFAJMDE-UHFFFAOYSA-N 1 0 211.305 1.849 40 0 BDABRO CN[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000050269865 387955014 /nfs/dbraw/zinc/95/50/14/387955014.db2.gz OMTKJAYXDQFZKH-SECBINFHSA-N 1 0 247.111 1.807 40 0 BDABRO Cc1cc(C(=O)N2C[C@@H]3C[C@]3([NH3+])C2)c(C)o1 ZINC000096082173 177769867 /nfs/dbraw/zinc/76/98/67/177769867.db2.gz HXMMFNOTPNBNPV-CABZTGNLSA-N 1 0 220.272 1.070 40 0 BDABRO CCC[C@@H]1C[C@H](OCCOCC)C[NH2+]1 ZINC000217861558 388382691 /nfs/dbraw/zinc/38/26/91/388382691.db2.gz FSCVLYYGDCOZPE-MNOVXSKESA-N 1 0 201.310 1.570 40 0 BDABRO CCS(=O)(=O)[C@@H]1[C@@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000218026154 388385889 /nfs/dbraw/zinc/38/58/89/388385889.db2.gz MAIWNDTZASVJOM-SDDRHHMPSA-N 1 0 239.340 1.162 40 0 BDABRO [NH3+]CCN1CCC(Oc2ccc(O)cc2)CC1 ZINC000242547849 388399471 /nfs/dbraw/zinc/39/94/71/388399471.db2.gz KWKZMBDBELIFQC-UHFFFAOYSA-N 1 0 236.315 1.194 40 0 BDABRO F[C@@H]1CC[NH2+]C[C@]12CCN(Cc1ccco1)C2 ZINC000107244615 388615929 /nfs/dbraw/zinc/61/59/29/388615929.db2.gz MQMYWDNJWFITHN-OLZOCXBDSA-N 1 0 238.306 1.803 40 0 BDABRO Cc1ccc2c(n1)N(CC1CC1)CC[NH2+]C2 ZINC000096199079 388616092 /nfs/dbraw/zinc/61/60/92/388616092.db2.gz YYKUJMXIBWSNFE-UHFFFAOYSA-N 1 0 217.316 1.710 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccc(F)cc1 ZINC000242390145 388580338 /nfs/dbraw/zinc/58/03/38/388580338.db2.gz AAMDSQYMUNGGNR-RYUDHWBXSA-N 1 0 237.274 1.644 40 0 BDABRO CN1CCC[N@H+](C[C@H]2Cc3ccccc3N2)CC1 ZINC000250561890 388681690 /nfs/dbraw/zinc/68/16/90/388681690.db2.gz CQTKEIKVJHTPFH-CQSZACIVSA-N 1 0 245.370 1.661 40 0 BDABRO CCOc1ccccc1[C@@H]1C[C@@]1(C[NH3+])CO ZINC000062713349 388655371 /nfs/dbraw/zinc/65/53/71/388655371.db2.gz FOHHAUWFXFOJIL-WCQYABFASA-N 1 0 221.300 1.510 40 0 BDABRO CCN(CC)c1ccc([C@H]2C[C@@]2(C[NH3+])CO)cc1 ZINC000062713427 388655405 /nfs/dbraw/zinc/65/54/05/388655405.db2.gz PBYWNARSXHOGLV-HUUCEWRRSA-N 1 0 248.370 1.958 40 0 BDABRO CSc1ncc(C[NH2+]C[C@H]2CCCO2)cn1 ZINC000062717211 388655724 /nfs/dbraw/zinc/65/57/24/388655724.db2.gz JGOXWPKHGWCVGI-SNVBAGLBSA-N 1 0 239.344 1.467 40 0 BDABRO CC(C)Nc1ncc(C[NH2+]CCCCO)cn1 ZINC000062717656 388655790 /nfs/dbraw/zinc/65/57/90/388655790.db2.gz LMERYPRXUADBAQ-UHFFFAOYSA-N 1 0 238.335 1.159 40 0 BDABRO CCNc1ncc(C[NH2+]Cc2cccnc2)cn1 ZINC000062717524 388655876 /nfs/dbraw/zinc/65/58/76/388655876.db2.gz ALGJAIHHHMVXPD-UHFFFAOYSA-N 1 0 243.314 1.593 40 0 BDABRO CCCNc1ncc(C[NH2+]C2CC2)cn1 ZINC000062717701 388656247 /nfs/dbraw/zinc/65/62/47/388656247.db2.gz NVXMJKIGDNCEID-UHFFFAOYSA-N 1 0 206.293 1.551 40 0 BDABRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCCCCC1 ZINC000019502834 388741427 /nfs/dbraw/zinc/74/14/27/388741427.db2.gz YRLGNCQASLTTNG-GHMZBOCLSA-N 1 0 212.337 1.762 40 0 BDABRO CC(C)[C@@H]([NH3+])CN(C)CCc1ccccn1 ZINC000020074310 388755126 /nfs/dbraw/zinc/75/51/26/388755126.db2.gz OVVFIILUGDNMOB-ZDUSSCGKSA-N 1 0 221.348 1.539 40 0 BDABRO [NH3+]C[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000079439397 388696048 /nfs/dbraw/zinc/69/60/48/388696048.db2.gz XSWBUHPHPZKADG-SNVBAGLBSA-N 1 0 247.346 1.226 40 0 BDABRO Cc1ccc([C@@H]2[C@@H](C[NH3+])[C@H]2S(C)(=O)=O)cc1 ZINC000242498663 388837117 /nfs/dbraw/zinc/83/71/17/388837117.db2.gz HMWLFUBGCFWOGW-IJLUTSLNSA-N 1 0 239.340 1.080 40 0 BDABRO Cc1ccc(N2CCN(C3C[NH2+]C3)CC2)cc1 ZINC000022007606 132332354 /nfs/dbraw/zinc/33/23/54/132332354.db2.gz CNKMKGOJNNJCQE-UHFFFAOYSA-N 1 0 231.343 1.089 40 0 BDABRO Cc1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000040175308 132346901 /nfs/dbraw/zinc/34/69/01/132346901.db2.gz AIAOFXSCMJXDLF-UHFFFAOYSA-N 1 0 227.311 1.953 40 0 BDABRO [NH3+]Cc1cccc(N2CCCOC2=O)c1 ZINC000041054554 132349326 /nfs/dbraw/zinc/34/93/26/132349326.db2.gz IHXPLGFUXBRZCD-UHFFFAOYSA-N 1 0 206.245 1.492 40 0 BDABRO c1nc2c(cccc2N2CC[NH2+]CC2)o1 ZINC000062522832 132387636 /nfs/dbraw/zinc/38/76/36/132387636.db2.gz ABQLIOHPHGHDFE-UHFFFAOYSA-N 1 0 203.245 1.237 40 0 BDABRO Cc1cnc(N2CCC([NH3+])CC2)nc1Cl ZINC000072203810 132396198 /nfs/dbraw/zinc/39/61/98/132396198.db2.gz MJUROQJLVNMNNV-UHFFFAOYSA-N 1 0 226.711 1.366 40 0 BDABRO C[NH2+]C1CCN(c2ncc(Cl)cn2)CC1 ZINC000072203160 132396364 /nfs/dbraw/zinc/39/63/64/132396364.db2.gz WFKLIMJZBTUVRK-UHFFFAOYSA-N 1 0 226.711 1.318 40 0 BDABRO C[N@@H+]1CCC[C@@H]1c1cccc(N2CCOCC2)n1 ZINC000072386614 132397157 /nfs/dbraw/zinc/39/71/57/132397157.db2.gz YXYKJCGTTODPQW-CYBMUJFWSA-N 1 0 247.342 1.685 40 0 BDABRO CN1C[C@@H]2C[N@H+](CCO)C[C@H]2c2ccccc21 ZINC000096251749 132431666 /nfs/dbraw/zinc/43/16/66/132431666.db2.gz IZFGAEKZFDWYBP-DGCLKSJQSA-N 1 0 232.327 1.144 40 0 BDABRO CC(=O)c1ccc(C(=O)N2CC[C@H]([NH3+])C2)s1 ZINC000335404190 133856314 /nfs/dbraw/zinc/85/63/14/133856314.db2.gz YGNPDFOAVUBMEL-QMMMGPOBSA-N 1 0 238.312 1.124 40 0 BDABRO COc1ccc(CC(N)=[NH2+])cc1Br ZINC000049596338 134634316 /nfs/dbraw/zinc/63/43/16/134634316.db2.gz NWTLPUIAFGVOBT-UHFFFAOYSA-N 1 0 243.104 1.936 40 0 BDABRO Brc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC000051868427 166098141 /nfs/dbraw/zinc/09/81/41/166098141.db2.gz XWIFUYNFGVIYON-MRVPVSSYSA-N 1 0 243.104 1.585 40 0 BDABRO Brc1cccc([C@H]2CC[NH2+]C2)n1 ZINC000044121867 166101370 /nfs/dbraw/zinc/10/13/70/166101370.db2.gz HBVGYHNKCKMQOQ-ZETCQYMHSA-N 1 0 227.105 1.921 40 0 BDABRO CC(C)C[NH2+]C1(CO)CCSCC1 ZINC000041058919 167003973 /nfs/dbraw/zinc/00/39/73/167003973.db2.gz YCNQBNMPLJNQEN-UHFFFAOYSA-N 1 0 203.351 1.490 40 0 BDABRO CC(C)C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256049627 167009180 /nfs/dbraw/zinc/00/91/80/167009180.db2.gz ARIHRBWADNNGPL-UHFFFAOYSA-N 1 0 217.263 1.894 40 0 BDABRO CC(C)NC(=O)COc1ccc(C[NH3+])cc1 ZINC000022142594 167062376 /nfs/dbraw/zinc/06/23/76/167062376.db2.gz AJBLTIJOLURZRS-UHFFFAOYSA-N 1 0 222.288 1.049 40 0 BDABRO CC(C)NC(=O)C[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000096221926 167065922 /nfs/dbraw/zinc/06/59/22/167065922.db2.gz KMAXXTRQMQGFJZ-LLVKDONJSA-N 1 0 240.347 1.060 40 0 BDABRO [NH3+][C@H]1C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218005391 411183791 /nfs/dbraw/zinc/18/37/91/411183791.db2.gz AHCXSLUQKZFUNX-IUCAKERBSA-N 1 0 231.704 1.213 40 0 BDABRO CC1(CNC(=O)OCc2ccccc2)C[NH2+]C1 ZINC000261508351 168033335 /nfs/dbraw/zinc/03/33/35/168033335.db2.gz RNOCLBYYXWVXSC-UHFFFAOYSA-N 1 0 234.299 1.522 40 0 BDABRO CC1(c2nccs2)CC[NH+](CCO)CC1 ZINC000257295758 168074245 /nfs/dbraw/zinc/07/42/45/168074245.db2.gz QZRZHQCQHONECJ-UHFFFAOYSA-N 1 0 226.345 1.489 40 0 BDABRO CC[N@@H+]1CC[C@@H](CNc2ccnc(Cl)n2)C1 ZINC000038579683 170009296 /nfs/dbraw/zinc/00/92/96/170009296.db2.gz ZTEHEZPIXNFRBQ-VIFPVBQESA-N 1 0 240.738 1.884 40 0 BDABRO CCNC(=O)c1cc2ccccc2[n+](C)c1 ZINC000001665424 170100819 /nfs/dbraw/zinc/10/08/19/170100819.db2.gz MLFKEBYNPKLIJB-UHFFFAOYSA-O 1 0 215.276 1.414 40 0 BDABRO CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1 ZINC000257291218 170100997 /nfs/dbraw/zinc/10/09/97/170100997.db2.gz QGDROGIHXCFWDY-GFCCVEGCSA-N 1 0 233.315 1.598 40 0 BDABRO CC[NH2+][C@H](C)C(=O)Nc1ccccc1C ZINC000065740913 170156067 /nfs/dbraw/zinc/15/60/67/170156067.db2.gz NAXASDSUCOOCOT-SNVBAGLBSA-N 1 0 206.289 1.932 40 0 in-vitro BDABRO CCOC(=O)[C@@H]1CC[NH2+][C@@H]1c1ccccc1 ZINC000082110831 170258933 /nfs/dbraw/zinc/25/89/33/170258933.db2.gz PXFPDTOVEBHWER-VXGBXAGGSA-N 1 0 219.284 1.900 40 0 BDABRO CCOC(=O)c1ccn2c(C)[nH+]cc2c1 ZINC000072206875 170300693 /nfs/dbraw/zinc/30/06/93/170300693.db2.gz GHSYPQHTRWSEQP-UHFFFAOYSA-N 1 0 204.229 1.819 40 0 BDABRO CC[C@H](C)[C@@H]([NH3+])CN(C)CCc1ccncc1 ZINC000048260176 171372015 /nfs/dbraw/zinc/37/20/15/171372015.db2.gz MSXXWKCWHXGNDA-JSGCOSHPSA-N 1 0 235.375 1.929 40 0 BDABRO CC[C@H](C)[C@H]([NH3+])C(=S)N1CCCC1 ZINC000075629730 171397031 /nfs/dbraw/zinc/39/70/31/171397031.db2.gz PAAWYGFBSCGGHY-IUCAKERBSA-N 1 0 200.351 1.783 40 0 BDABRO CC[C@H](C)[C@H]([NH3+])C(=S)N1CCSC1 ZINC000075629729 171397050 /nfs/dbraw/zinc/39/70/50/171397050.db2.gz IXFPGXSAFSQMGY-YUMQZZPRSA-N 1 0 218.391 1.694 40 0 BDABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)COC ZINC000222978866 171607184 /nfs/dbraw/zinc/60/71/84/171607184.db2.gz WEFGVHATJIWALR-LBPRGKRZSA-N 1 0 242.363 1.404 40 0 BDABRO CCn1nc(C)c(C[NH2+]C[C@@H]2CCCO2)c1F ZINC000256051772 172247855 /nfs/dbraw/zinc/24/78/55/172247855.db2.gz KLMXXJLPTNHEOA-JTQLQIEISA-N 1 0 241.310 1.619 40 0 BDABRO CN(C)C(=O)C[C@@H](C[NH3+])c1ccccc1 ZINC000057494135 172373626 /nfs/dbraw/zinc/37/36/26/172373626.db2.gz LBHCYAOJKODXGR-NSHDSACASA-N 1 0 206.289 1.207 40 0 BDABRO CN(C)C(=O)Oc1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000001695369 172382457 /nfs/dbraw/zinc/38/24/57/172382457.db2.gz WWJUDKWORQNUFC-NSHDSACASA-N 1 0 249.314 1.909 40 0 BDABRO C[NH+](C)CCCNC(=S)Nc1cccnc1 ZINC000007065209 172439874 /nfs/dbraw/zinc/43/98/74/172439874.db2.gz APJOJSRSMIYOEY-UHFFFAOYSA-N 1 0 238.360 1.320 40 0 BDABRO CN(C)c1nc(C(F)(F)F)c(CC[NH3+])s1 ZINC000218731478 172576912 /nfs/dbraw/zinc/57/69/12/172576912.db2.gz JFCHICQHGPPCHW-UHFFFAOYSA-N 1 0 239.266 1.729 40 0 BDABRO C[NH+]1CCC2(CC1)C(=O)Nc1ccc(F)cc12 ZINC000079032873 173001751 /nfs/dbraw/zinc/00/17/51/173001751.db2.gz NDKOLCXOWQSTLS-UHFFFAOYSA-N 1 0 234.274 1.741 40 0 BDABRO CN(C)c1ccc([C@@H]2CCC[N@H+](C)C2)nc1 ZINC000072381235 173023102 /nfs/dbraw/zinc/02/31/02/173023102.db2.gz HAMYRKUTYKMWNY-LLVKDONJSA-N 1 0 219.332 1.957 40 0 BDABRO C[N@@H+]1CCC[C@@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257262438 173023402 /nfs/dbraw/zinc/02/34/02/173023402.db2.gz LLKJTBYRDXWJDG-SNVBAGLBSA-N 1 0 243.314 1.676 40 0 BDABRO C[N@@H+]1CCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000016697178 173027087 /nfs/dbraw/zinc/02/70/87/173027087.db2.gz QEVQEWQGMDZNTH-SNVBAGLBSA-N 1 0 228.336 1.995 40 0 BDABRO C[N@@H+]1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000072370017 173048511 /nfs/dbraw/zinc/04/85/11/173048511.db2.gz KEYBQITYLHAWBF-QMMMGPOBSA-N 1 0 217.276 1.162 40 0 BDABRO C[N@@H+]1CC[C@]2(C1)C[C@H](Nc1ccccn1)CCO2 ZINC000096206548 173142083 /nfs/dbraw/zinc/14/20/83/173142083.db2.gz NLSVDFSDMKQQBJ-TZMCWYRMSA-N 1 0 247.342 1.747 40 0 BDABRO C[N@@H+]1CC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000049169053 173157087 /nfs/dbraw/zinc/15/70/87/173157087.db2.gz XUKNBMXUAXNTQT-VIFPVBQESA-N 1 0 201.273 1.982 40 0 biogenic,in-vitro BDABRO C[N@H+]1C[C@@H](c2cccc(Cl)c2)[C@H](CO)C1 ZINC000217672861 173183478 /nfs/dbraw/zinc/18/34/78/173183478.db2.gz GXCBTASVJFFRNX-JQWIXIFHSA-N 1 0 225.719 1.978 40 0 BDABRO C[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000019388779 173334211 /nfs/dbraw/zinc/33/42/11/173334211.db2.gz JOFFOYXDXMBTRC-UHFFFAOYSA-N 1 0 243.104 1.607 40 0 BDABRO C[NH2+]CCCNC(=O)OCc1ccccc1 ZINC000039952143 173347826 /nfs/dbraw/zinc/34/78/26/173347826.db2.gz IOONVUKQGKWAOU-UHFFFAOYSA-N 1 0 222.288 1.522 40 0 BDABRO COC1(c2cnn(CC3CC3)c2)CC[NH2+]CC1 ZINC000096525699 174010301 /nfs/dbraw/zinc/01/03/01/174010301.db2.gz OBXFFOKYYGIJMD-UHFFFAOYSA-N 1 0 235.331 1.518 40 0 BDABRO COc1ccc(-c2ccnn2CC[NH3+])cc1OC ZINC000096527693 175035772 /nfs/dbraw/zinc/03/57/72/175035772.db2.gz GNSLTEVFKCTIOJ-UHFFFAOYSA-N 1 0 247.298 1.526 40 0 BDABRO COc1ccc(C(=O)NC[n+]2ccccc2)cc1 ZINC000001623467 175061387 /nfs/dbraw/zinc/06/13/87/175061387.db2.gz KGYXPVKQWFOGCU-UHFFFAOYSA-O 1 0 243.286 1.370 40 0 BDABRO COc1ccc(C)cc1C[NH2+]CCN(C)C ZINC000035161788 175075923 /nfs/dbraw/zinc/07/59/23/175075923.db2.gz HJNIXWHOOYEETN-UHFFFAOYSA-N 1 0 222.332 1.655 40 0 BDABRO COc1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218872084 175109927 /nfs/dbraw/zinc/10/99/27/175109927.db2.gz QSSMZORTYZYQMX-QWHCGFSZSA-N 1 0 220.316 1.665 40 0 BDABRO COc1ccc([C@@H](C[NH3+])N(C)C)c(OC)c1 ZINC000038827582 175178410 /nfs/dbraw/zinc/17/84/10/175178410.db2.gz PIVGAJNHFRGDPV-LLVKDONJSA-N 1 0 224.304 1.265 40 0 BDABRO COc1ccc2[nH]cc([C@H](O)C[NH3+])c2c1 ZINC000006018837 175202940 /nfs/dbraw/zinc/20/29/40/175202940.db2.gz LXJQQNSPZRPXLY-LLVKDONJSA-N 1 0 206.245 1.169 40 0 BDABRO COc1ccc2c(c1)CCc1[nH+]c(N)nc(N)c1-2 ZINC000015894696 175209639 /nfs/dbraw/zinc/20/96/39/175209639.db2.gz PTYPACYJLPCXBJ-UHFFFAOYSA-N 1 0 242.282 1.415 40 0 BDABRO COc1ccc2c(c1)C[NH2+]CC[C@H]1COC(=O)N21 ZINC000225491623 175210516 /nfs/dbraw/zinc/21/05/16/175210516.db2.gz GJARRFQHLQAMAL-JTQLQIEISA-N 1 0 248.282 1.514 40 0 biogenic,in-vitro BDABRO COc1ccc2c(c1)[C@]1(CC[NH2+]1)CCO2 ZINC000306145818 175217443 /nfs/dbraw/zinc/21/74/43/175217443.db2.gz RGCQWYWRDFHAIY-LBPRGKRZSA-N 1 0 205.257 1.666 40 0 BDABRO COc1ccc2c3c([nH]c2c1N)[C@@H](C)[NH2+]CC3 ZINC000001582983 175223980 /nfs/dbraw/zinc/22/39/80/175223980.db2.gz WXIJGUPZJIXTMQ-SSDOTTSWSA-N 1 0 231.299 1.965 40 0 BDABRO COc1ccc2c3c([nH]c2c1N)[C@H](C)[NH2+]CC3 ZINC000005486836 175224052 /nfs/dbraw/zinc/22/40/52/175224052.db2.gz WXIJGUPZJIXTMQ-ZETCQYMHSA-N 1 0 231.299 1.965 40 0 BDABRO COc1ccc2cc3c(nc2c1)OCC[NH2+]C3 ZINC000019564019 175225580 /nfs/dbraw/zinc/22/55/80/175225580.db2.gz OYJZXZDYBULLNR-UHFFFAOYSA-N 1 0 230.267 1.725 40 0 BDABRO COc1cccc(N[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000218876260 175280356 /nfs/dbraw/zinc/28/03/56/175280356.db2.gz PIYNVKHKNJOAOO-VXGBXAGGSA-N 1 0 206.289 1.987 40 0 BDABRO COc1ccccc1-n1nnc(C[NH3+])c1C ZINC000062247622 175312393 /nfs/dbraw/zinc/31/23/93/175312393.db2.gz VVRYLCSOHKADRQ-UHFFFAOYSA-N 1 0 218.260 1.043 40 0 BDABRO COc1ccccc1CN(CC[NH3+])C(C)C ZINC000032014353 175325515 /nfs/dbraw/zinc/32/55/15/175325515.db2.gz ZWTDOIYOQSVEAI-UHFFFAOYSA-N 1 0 222.332 1.864 40 0 BDABRO COc1ccccc1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000218875760 175339059 /nfs/dbraw/zinc/33/90/59/175339059.db2.gz UKTIJZJXZYPQDB-VHSXEESVSA-N 1 0 206.289 1.987 40 0 BDABRO COc1ccccc1[C@H](CO)[NH+]1CCCC1 ZINC000041237222 175353702 /nfs/dbraw/zinc/35/37/02/175353702.db2.gz XHVCVUFMZUMRAE-LBPRGKRZSA-N 1 0 221.300 1.824 40 0 BDABRO CS(=O)(=O)C[C@@H](C[NH3+])C1CCCCC1 ZINC000217762203 175424687 /nfs/dbraw/zinc/42/46/87/175424687.db2.gz LUOXJPWHAUBOAN-SNVBAGLBSA-N 1 0 219.350 1.186 40 0 BDABRO C[C@@H](c1cnccn1)N1CCCC[C@@H]1C[NH3+] ZINC000070026280 176037638 /nfs/dbraw/zinc/03/76/38/176037638.db2.gz TXAUAHKBMGAYJU-WDEREUQCSA-N 1 0 220.320 1.351 40 0 BDABRO C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000062619565 176261170 /nfs/dbraw/zinc/26/11/70/176261170.db2.gz IIZUZFRKAIBQCA-MRVPVSSYSA-N 1 0 240.253 1.399 40 0 BDABRO C[C@@H]1CN(C(=O)c2cccc(F)c2)CC[NH2+]1 ZINC000062610994 176261671 /nfs/dbraw/zinc/26/16/71/176261671.db2.gz GEKAQEZWMKZGCA-SECBINFHSA-N 1 0 222.263 1.260 40 0 BDABRO C[C@@H]1CN(CCO)CC[N@@H+]1Cc1ccccc1 ZINC000022584223 176292001 /nfs/dbraw/zinc/29/20/01/176292001.db2.gz GAWXNKFHKLHGTA-CYBMUJFWSA-N 1 0 234.343 1.185 40 0 BDABRO C[C@H](c1ccccn1)N(C(=O)C[NH3+])C1CC1 ZINC000079421804 177042385 /nfs/dbraw/zinc/04/23/85/177042385.db2.gz VNKNPDZPCDERBJ-SECBINFHSA-N 1 0 219.288 1.092 40 0 BDABRO C[C@H]1CCCCN1C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000020597454 177072586 /nfs/dbraw/zinc/07/25/86/177072586.db2.gz YDGAUSYYGSGDDL-RYUDHWBXSA-N 1 0 224.348 1.920 40 0 BDABRO C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000074713299 177091465 /nfs/dbraw/zinc/09/14/65/177091465.db2.gz JFUHNXHVPCJBJQ-NSHDSACASA-N 1 0 224.348 1.587 40 0 BDABRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCCC1 ZINC000087122051 177395274 /nfs/dbraw/zinc/39/52/74/177395274.db2.gz HYNWCGPXMNVYNI-MNOVXSKESA-N 1 0 210.321 1.387 40 0 BDABRO C[C@H]([NH3+])[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000072208854 262722058 /nfs/dbraw/zinc/72/20/58/262722058.db2.gz CABIRYRCSXLJTD-XHNCKOQMSA-N 1 0 232.299 1.681 40 0 BDABRO C[NH+]1CCC2(CCCN(c3cnccn3)C2)CC1 ZINC000096071780 490360305 /nfs/dbraw/zinc/36/03/05/490360305.db2.gz WYXJQUVNQHLLFH-UHFFFAOYSA-N 1 0 246.358 1.789 40 0 BDABRO CC(C)(C)OC(=O)C[C@H]([NH3+])c1ccccn1 ZINC000228957728 518797207 /nfs/dbraw/zinc/79/72/07/518797207.db2.gz ITLKZZZEPMFVAA-VIFPVBQESA-N 1 0 222.288 1.813 40 0 BDABRO CC(C)(C)OC(=O)C[C@@H]([NH3+])c1ccccn1 ZINC000228957709 518797898 /nfs/dbraw/zinc/79/78/98/518797898.db2.gz ITLKZZZEPMFVAA-SECBINFHSA-N 1 0 222.288 1.813 40 0 BDABRO CC[N@H+](CC(=O)[O-])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000247953328 520380308 /nfs/dbraw/zinc/38/03/08/520380308.db2.gz CLXOCZUNMRRRHZ-XYPYZODXSA-N 1 0 228.336 1.266 40 0 BDABRO C[C@H]1[C@H]([NH3+])C(=O)N1c1ccc(Cl)cc1 ZINC000225776395 525105404 /nfs/dbraw/zinc/10/54/04/525105404.db2.gz AJYLZROFYYOHFL-RCOVLWMOSA-N 1 0 210.664 1.402 40 0 BDABRO CC[N@@H+]1CCC[C@H](c2cc(CCO)n[nH]2)C1 ZINC000072383161 343979955 /nfs/dbraw/zinc/97/99/55/343979955.db2.gz HCVRAZGEMKDLIT-JTQLQIEISA-N 1 0 223.320 1.144 40 0 BDABRO CCS(=O)(=O)[C@H]1[C@@H]([NH3+])[C@@H]1c1ccc(F)cc1 ZINC000218538624 398174549 /nfs/dbraw/zinc/17/45/49/398174549.db2.gz NKBPKNOHJPXKNO-GARJFASQSA-N 1 0 243.303 1.054 40 0 BDABRO Cc1cc(N(C)C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072381300 178096011 /nfs/dbraw/zinc/09/60/11/178096011.db2.gz ZHRWRJLSTAJRJT-LLVKDONJSA-N 1 0 234.347 1.660 40 0 BDABRO CCOCc1nn(CC2CC2)c2c1C[NH2+]CC2 ZINC000306128770 398199922 /nfs/dbraw/zinc/19/99/22/398199922.db2.gz HKBLHJFXIIYGDP-UHFFFAOYSA-N 1 0 235.331 1.475 40 0 BDABRO Cc1ccc(-c2nc(SCC[NH3+])n[nH]2)cc1 ZINC000224978904 178340514 /nfs/dbraw/zinc/34/05/14/178340514.db2.gz LITBXVQDUGEXBB-UHFFFAOYSA-N 1 0 234.328 1.831 40 0 BDABRO C[C@@H]([NH3+])[C@H](C)CC(=O)Nc1ccccc1 ZINC000072208163 259315144 /nfs/dbraw/zinc/31/51/44/259315144.db2.gz XBDKHTVRZFOLSN-NXEZZACHSA-N 1 0 206.289 1.999 40 0 BDABRO CCOC(=O)[C@H](CN)C1([NH+](C)C)CCCCC1 ZINC000072210449 259316769 /nfs/dbraw/zinc/31/67/69/259316769.db2.gz VXSIBMRCJPPOLG-NSHDSACASA-N 1 0 242.363 1.389 40 0 BDABRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](C)C1 ZINC000034689301 342726820 /nfs/dbraw/zinc/72/68/20/342726820.db2.gz QYFKHMNKZMJIHM-AXFHLTTASA-N 1 0 212.337 1.618 40 0 BDABRO C[N@H+](CCO)C1CC(C)(C)N(O)C(C)(C)C1 ZINC000005664590 342768235 /nfs/dbraw/zinc/76/82/35/342768235.db2.gz KIGULAIUUVDROS-UHFFFAOYSA-N 1 0 230.352 1.321 40 0 BDABRO COc1cc(C[C@H](C)[NH3+])c(OC)cc1C ZINC000005765127 342769750 /nfs/dbraw/zinc/76/97/50/342769750.db2.gz NTJQREUGJKIARY-VIFPVBQESA-N 1 0 209.289 1.902 40 0 in-man BDABRO Cc1ccc(N[NH2+]c2cc(=O)[nH]c(=O)[nH]2)cc1C ZINC000006488168 342778537 /nfs/dbraw/zinc/77/85/37/342778537.db2.gz LSVFPOJHNUYNBK-UHFFFAOYSA-N 1 0 246.270 1.258 40 0 BDABRO CCn1nc(C)c(N)c1C[NH+]1CCCC1 ZINC000072220847 259319737 /nfs/dbraw/zinc/31/97/37/259319737.db2.gz YKVNDNFJGSCFIQ-UHFFFAOYSA-N 1 0 208.309 1.389 40 0 BDABRO CCOc1ccc(C[NH2+]CCO)cc1OCC ZINC000008324872 342797932 /nfs/dbraw/zinc/79/79/32/342797932.db2.gz LLSCKJFTDJOMKF-UHFFFAOYSA-N 1 0 239.315 1.566 40 0 BDABRO Fc1cccc(C[C@@H]2C[N@@H+]3CCC[C@H]3CN2)c1 ZINC000039957315 361908744 /nfs/dbraw/zinc/90/87/44/361908744.db2.gz UILPXBJQYNEVFD-KGLIPLIRSA-N 1 0 234.318 1.804 40 0 BDABRO [NH3+]C[C@H](O)c1cccc(OC(F)(F)F)c1 ZINC000084991688 398287807 /nfs/dbraw/zinc/28/78/07/398287807.db2.gz AQGZPXKBMIKDGM-QMMMGPOBSA-N 1 0 221.178 1.577 40 0 BDABRO Cc1occc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096058537 398312246 /nfs/dbraw/zinc/31/22/46/398312246.db2.gz QIVHNNPFFRYNAZ-MNOVXSKESA-N 1 0 234.299 1.555 40 0 BDABRO COC[C@@H]1C[N@H+](CC2CC2)Cc2cn(C)nc21 ZINC000096059820 398312281 /nfs/dbraw/zinc/31/22/81/398312281.db2.gz ZNSVCIBWJJIJLQ-LBPRGKRZSA-N 1 0 235.331 1.376 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1cccc(N)c1 ZINC000217668895 398322908 /nfs/dbraw/zinc/32/29/08/398322908.db2.gz QOISGXDCUJFTKH-NEPJUHHUSA-N 1 0 234.299 1.087 40 0 BDABRO CC(=O)N[C@@H]1CCCC[C@H]1[N@@H+](CCO)C(C)C ZINC000169676203 398342224 /nfs/dbraw/zinc/34/22/24/398342224.db2.gz KFMFJKAQLUCOSW-CHWSQXEVSA-N 1 0 242.363 1.136 40 0 BDABRO Cc1cnc(-c2nc(C3CC[NH2+]CC3)no2)cn1 ZINC000019239044 342944666 /nfs/dbraw/zinc/94/46/66/342944666.db2.gz CXAUCJUAXXEIDV-UHFFFAOYSA-N 1 0 245.286 1.302 40 0 BDABRO CC(=O)Nc1cc(CCC2CC[NH2+]CC2)ccn1 ZINC000019695360 342954070 /nfs/dbraw/zinc/95/40/70/342954070.db2.gz KGCBFOZTQXQHPR-UHFFFAOYSA-N 1 0 247.342 1.972 40 0 BDABRO CC(C)(C)NC(=O)COc1cccc(C[NH3+])c1 ZINC000021964171 343030949 /nfs/dbraw/zinc/03/09/49/343030949.db2.gz UYLRHKPUJYPFBV-UHFFFAOYSA-N 1 0 236.315 1.439 40 0 BDABRO CC(C)(C)OC(=O)Nc1ccnc(C[NH3+])c1 ZINC000021984977 343073744 /nfs/dbraw/zinc/07/37/44/343073744.db2.gz INTNEUYNPHHOKA-UHFFFAOYSA-N 1 0 223.276 1.887 40 0 BDABRO [NH3+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC000212393467 343077255 /nfs/dbraw/zinc/07/72/55/343077255.db2.gz OYLFJBRUQNAJJS-UHFFFAOYSA-N 1 0 219.210 1.697 40 0 BDABRO CCCCOC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000026897763 343110795 /nfs/dbraw/zinc/11/07/95/343110795.db2.gz DPZSYOLTDCJNES-AWEZNQCLSA-N 1 0 237.343 1.954 40 0 BDABRO COC(=O)[C@H](C)C[NH2+]Cc1cccs1 ZINC000035133445 343285663 /nfs/dbraw/zinc/28/56/63/343285663.db2.gz GETWSJVTSCAPOK-MRVPVSSYSA-N 1 0 213.302 1.647 40 0 BDABRO COC(=O)[C@@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC000035133361 343285876 /nfs/dbraw/zinc/28/58/76/343285876.db2.gz VWQYMFAACAIQRL-NSHDSACASA-N 1 0 221.300 1.894 40 0 BDABRO COC(=O)[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC000035133327 343285929 /nfs/dbraw/zinc/28/59/29/343285929.db2.gz IXUJTWWDAFOYJS-SECBINFHSA-N 1 0 225.263 1.724 40 0 BDABRO COc1ccc(CN(C(=O)C[NH3+])C(C)C)cc1 ZINC000032090044 343290823 /nfs/dbraw/zinc/29/08/23/343290823.db2.gz JJDVEFQSTYUVRL-UHFFFAOYSA-N 1 0 236.315 1.391 40 0 BDABRO COC(=O)C[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000035747767 343303520 /nfs/dbraw/zinc/30/35/20/343303520.db2.gz ZVXDBWMXNIJZEF-JTQLQIEISA-N 1 0 239.290 1.909 40 0 BDABRO COC(=O)C[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000035748335 343303542 /nfs/dbraw/zinc/30/35/42/343303542.db2.gz ZVXFUMAMXNSEGD-SECBINFHSA-N 1 0 225.263 1.867 40 0 BDABRO CSc1ccc(CN(C)C(=O)C[NH3+])cc1 ZINC000037495237 343310417 /nfs/dbraw/zinc/31/04/17/343310417.db2.gz MJACVGHWMXZHAX-UHFFFAOYSA-N 1 0 224.329 1.326 40 0 BDABRO CC[N@H+]1CC=C(c2nn3cnnc3s2)CC1 ZINC000073636207 343357567 /nfs/dbraw/zinc/35/75/67/343357567.db2.gz OSHLWHNJSYVZPZ-UHFFFAOYSA-N 1 0 235.316 1.295 40 0 BDABRO CC(C)(C)OC(=O)[C@@H](N)C[C@H]1CCCC[NH2+]1 ZINC000040448427 343403383 /nfs/dbraw/zinc/40/33/83/343403383.db2.gz SBGGYLSKSFJIQO-ZJUUUORDSA-N 1 0 228.336 1.188 40 0 BDABRO FC(F)(F)[C@H]1CCN(C2CC[NH2+]CC2)C1 ZINC000393778581 343810255 /nfs/dbraw/zinc/81/02/55/343810255.db2.gz PZQMKTYYZQOQLZ-QMMMGPOBSA-N 1 0 222.254 1.623 40 0 BDABRO [NH3+]CCc1cnn(CCOCc2ccccc2)c1 ZINC000393663632 343810572 /nfs/dbraw/zinc/81/05/72/343810572.db2.gz WIQUDMGNBXKKAU-UHFFFAOYSA-N 1 0 245.326 1.601 40 0 BDABRO COC[C@H]1CCCCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000395945392 343810913 /nfs/dbraw/zinc/81/09/13/343810913.db2.gz HMFJHULFPFXJEC-VXGBXAGGSA-N 1 0 240.347 1.156 40 0 BDABRO [NH3+]CCCc1cnn(C[C@H]2CCCOC2)c1 ZINC000575623447 343876243 /nfs/dbraw/zinc/87/62/43/343876243.db2.gz RXVYTHPAKYPNQZ-GFCCVEGCSA-N 1 0 223.320 1.201 40 0 BDABRO [NH3+]CCCc1cnn(Cc2ccccc2F)c1 ZINC000575623488 343876276 /nfs/dbraw/zinc/87/62/76/343876276.db2.gz VCHBTHVTOLIQBP-UHFFFAOYSA-N 1 0 233.290 1.962 40 0 BDABRO C[NH2+]CCCc1cnn(C[C@H]2CCOC2)c1 ZINC000575623422 343876342 /nfs/dbraw/zinc/87/63/42/343876342.db2.gz QIKMZIJKQJGHDD-GFCCVEGCSA-N 1 0 223.320 1.072 40 0 BDABRO C[NH2+]CCCc1cnn(CC2CCC2)c1 ZINC000575623329 343875687 /nfs/dbraw/zinc/87/56/87/343875687.db2.gz JGGUDZMDGIIBLO-UHFFFAOYSA-N 1 0 207.321 1.835 40 0 BDABRO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccccn1 ZINC000019519519 347023545 /nfs/dbraw/zinc/02/35/45/347023545.db2.gz RIIFGPOBRLQCSA-LLVKDONJSA-N 1 0 221.304 1.071 40 0 BDABRO CC(C)(C)OC(=O)Cn1cc(CCC[NH3+])cn1 ZINC000585143102 344178754 /nfs/dbraw/zinc/17/87/54/344178754.db2.gz UFSBLDLHEGFIKZ-UHFFFAOYSA-N 1 0 239.319 1.116 40 0 BDABRO C[C@@H]([NH3+])c1cnn(C[C@H]2CCCOC2)c1 ZINC000585143035 344178828 /nfs/dbraw/zinc/17/88/28/344178828.db2.gz OTOLBYMCQWRTJK-NXEZZACHSA-N 1 0 209.293 1.329 40 0 BDABRO Cn1cnc2c1C[C@@H](CO)[N@@H+](C1CCCC1)C2 ZINC000585095020 344129697 /nfs/dbraw/zinc/12/96/97/344129697.db2.gz ZZCNJRIQESYXOS-NSHDSACASA-N 1 0 235.331 1.082 40 0 BDABRO OC[C@@H]1CCn2nccc2C[N@@H+]1C1CCCC1 ZINC000585097849 344130775 /nfs/dbraw/zinc/13/07/75/344130775.db2.gz RVCURRPSLNHMHP-ZDUSSCGKSA-N 1 0 235.331 1.392 40 0 BDABRO CN1C(=O)CC[C@]12CCC[N@H+](CC1CC1)CC2 ZINC000585100530 344131140 /nfs/dbraw/zinc/13/11/40/344131140.db2.gz MMINCPIHVJDQAC-AWEZNQCLSA-N 1 0 236.359 1.873 40 0 BDABRO c1cncc(O[C@H]2CSC3(C[NH2+]C3)C2)c1 ZINC000585104292 344133994 /nfs/dbraw/zinc/13/39/94/344133994.db2.gz GTQNJYLINMUVHF-SNVBAGLBSA-N 1 0 222.313 1.308 40 0 BDABRO Clc1ccccc1OC[C@H]1C[NH2+]CCO1 ZINC000011587418 344375178 /nfs/dbraw/zinc/37/51/78/344375178.db2.gz RYWXNQIWNDSHQK-SECBINFHSA-N 1 0 227.691 1.707 40 0 BDABRO CO[C@]1(COc2ccccc2)C[NH2+]CCOC1 ZINC000585269093 344388331 /nfs/dbraw/zinc/38/83/31/344388331.db2.gz JXWJUZAMWKDPRI-CYBMUJFWSA-N 1 0 237.299 1.070 40 0 BDABRO COc1ccc(C(=O)CN)cc1SC ZINC000257979368 344446582 /nfs/dbraw/zinc/44/65/82/344446582.db2.gz DXCIRDMZMVHHIS-UHFFFAOYSA-N 1 0 211.286 1.559 40 0 BDABRO Cn1cncc1-c1nccnc1[C@H]1CCC[NH2+]C1 ZINC000205689586 345181485 /nfs/dbraw/zinc/18/14/85/345181485.db2.gz XASLQSXOSABSOG-JTQLQIEISA-N 1 0 243.314 1.344 40 0 BDABRO Cn1ccc2cc(C[C@@H]3C[NH2+]CCOC3)ccc21 ZINC000205672080 345145800 /nfs/dbraw/zinc/14/58/00/345145800.db2.gz ACTCOVRJLYGYFR-CYBMUJFWSA-N 1 0 244.338 1.957 40 0 BDABRO [NH3+]C1(c2cccc(OC(F)(F)F)c2)COC1 ZINC000095094611 345753001 /nfs/dbraw/zinc/75/30/01/345753001.db2.gz PINMWAIWVRLDRW-UHFFFAOYSA-N 1 0 233.189 1.769 40 0 BDABRO CC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1F ZINC000006440083 346283958 /nfs/dbraw/zinc/28/39/58/346283958.db2.gz QDPQIXRPGZNCHF-MNOVXSKESA-N 1 0 241.306 1.954 40 0 BDABRO C[C@H]([NH2+]C1(C)CCC1)C1CCS(=O)(=O)CC1 ZINC000187526103 346582539 /nfs/dbraw/zinc/58/25/39/346582539.db2.gz UWLIXLQPOCUYKX-JTQLQIEISA-N 1 0 245.388 1.732 40 0 BDABRO Cc1cccc(N2C[C@]3(CC[NH2+]C3)CC2=O)c1 ZINC000306138929 179123820 /nfs/dbraw/zinc/12/38/20/179123820.db2.gz SLAWILVRDDLWDF-CQSZACIVSA-N 1 0 230.311 1.711 40 0 BDABRO CC(=O)Nc1ccc(C(=O)CC[NH+](C)C)cc1 ZINC000168381999 346735617 /nfs/dbraw/zinc/73/56/17/346735617.db2.gz FFWDHGWUSVRVLV-UHFFFAOYSA-N 1 0 234.299 1.779 40 0 BDABRO Cc1cccc(OC[C@@H](O)C[NH2+]CC(C)C)c1 ZINC000026781812 179170312 /nfs/dbraw/zinc/17/03/12/179170312.db2.gz GOLRMULURISJFO-ZDUSSCGKSA-N 1 0 237.343 1.980 40 0 BDABRO Cc1cccc(OC[C@@H](O)C[NH2+]C2CC2)c1C ZINC000033465453 179171282 /nfs/dbraw/zinc/17/12/82/179171282.db2.gz ZJMZORXHJZZATF-ZDUSSCGKSA-N 1 0 235.327 1.795 40 0 BDABRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1[NH3+] ZINC000097759071 347285843 /nfs/dbraw/zinc/28/58/43/347285843.db2.gz JJWSEQIPGLDBOO-UWVGGRQHSA-N 1 0 228.336 1.981 40 0 BDABRO CC(C)N(C)[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC000101676558 347287262 /nfs/dbraw/zinc/28/72/62/347287262.db2.gz BKJJZGNQAKTVIZ-VXGBXAGGSA-N 1 0 214.353 1.220 40 0 BDABRO CCN(CC[NH3+])C(=O)OCc1ccccc1 ZINC000115874685 347356503 /nfs/dbraw/zinc/35/65/03/347356503.db2.gz QWSKQIZFQPGGRE-UHFFFAOYSA-N 1 0 222.288 1.604 40 0 BDABRO Cn1nccc1-c1cnc(C[C@H]2CC[NH2+]C2)cn1 ZINC000205683423 347453720 /nfs/dbraw/zinc/45/37/20/347453720.db2.gz VHKQBJGXAWSZNX-SNVBAGLBSA-N 1 0 243.314 1.029 40 0 BDABRO Cc1ccccc1N1CC[C@@H](OCC[NH3+])C1 ZINC000096528322 179296392 /nfs/dbraw/zinc/29/63/92/179296392.db2.gz VRDYJHRYOHEIGX-GFCCVEGCSA-N 1 0 220.316 1.549 40 0 BDABRO O=C(c1ccncc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932758 347892033 /nfs/dbraw/zinc/89/20/33/347892033.db2.gz UTTQDQXGZNYMLV-LBPRGKRZSA-N 1 0 231.299 1.002 40 0 BDABRO Cc1ccccc1[C@@H]([NH3+])[C@@H](C)S(C)(=O)=O ZINC000096524792 179324116 /nfs/dbraw/zinc/32/41/16/179324116.db2.gz SUJCGQFFOZYVNE-KOLCDFICSA-N 1 0 227.329 1.428 40 0 BDABRO COc1ccc(CN2CC[C@@H]([NH3+])C2)cc1F ZINC000038538915 348709993 /nfs/dbraw/zinc/70/99/93/348709993.db2.gz PLNBRSRZZNXQLL-SNVBAGLBSA-N 1 0 224.279 1.367 40 0 BDABRO CCOc1ccc([C@H]2C[C@]2(C[NH3+])CO)cc1 ZINC000062713335 259405328 /nfs/dbraw/zinc/40/53/28/259405328.db2.gz PLJBQSGICFBIDR-OLZOCXBDSA-N 1 0 221.300 1.510 40 0 BDABRO CCNc1ncc(C[NH2+][C@H](C)CC)cn1 ZINC000062717537 259407505 /nfs/dbraw/zinc/40/75/05/259407505.db2.gz DPICGSXENQAAOD-SECBINFHSA-N 1 0 208.309 1.797 40 0 BDABRO c1ncn2c1C[NH2+]C[C@H](COc1cccnc1)C2 ZINC000306124466 538043394 /nfs/dbraw/zinc/04/33/94/538043394.db2.gz BQNIHKBWZGVAEJ-NSHDSACASA-N 1 0 244.298 1.077 40 0 BDABRO Cc1nc2cc(NC(=O)[C@@H]3CC[NH2+]C3)ccc2[nH]1 ZINC000062114009 180081830 /nfs/dbraw/zinc/08/18/30/180081830.db2.gz KJDHOGVMLQRYFL-SECBINFHSA-N 1 0 244.298 1.419 40 0 BDABRO Cc1ncnc2c1CC[N@H+](CC(C)C)CC2 ZINC000096254989 180291389 /nfs/dbraw/zinc/29/13/89/180291389.db2.gz PBUUTHBJVXWJEM-UHFFFAOYSA-N 1 0 219.332 1.842 40 0 BDABRO Cc1nn(C)c(C)c1CN(C)C[C@H]([NH3+])C(C)C ZINC000096523751 180336264 /nfs/dbraw/zinc/33/62/64/180336264.db2.gz AQNPWCISKZMJNR-ZDUSSCGKSA-N 1 0 238.379 1.452 40 0 BDABRO CC(C)(C)OC(=O)[C@@H](N)[C@@]1(C)CCC[NH2+]C1 ZINC000602985555 351866133 /nfs/dbraw/zinc/86/61/33/351866133.db2.gz LEAYJOBYTRDDGM-SKDRFNHKSA-N 1 0 228.336 1.045 40 0 BDABRO CC(=O)NC1CCC([N@@H+](CCN)C(C)C)CC1 ZINC000079405686 187601417 /nfs/dbraw/zinc/60/14/17/187601417.db2.gz GDNVSMPNPIXIRI-UHFFFAOYSA-N 1 0 241.379 1.103 40 0 BDABRO COc1ccc(C[C@@H]2C[NH2+]CCOC2)cc1 ZINC000071522999 187596729 /nfs/dbraw/zinc/59/67/29/187596729.db2.gz ZWUJANFENHKFNM-GFCCVEGCSA-N 1 0 221.300 1.474 40 0 BDABRO Fc1ccc2c(c1)C1(CC[NH2+]CC1)OC2 ZINC000038585842 363145623 /nfs/dbraw/zinc/14/56/23/363145623.db2.gz USTGRUFFEVWLHT-UHFFFAOYSA-N 1 0 207.248 1.935 40 0 BDABRO CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C)C1 ZINC000019422184 188232164 /nfs/dbraw/zinc/23/21/64/188232164.db2.gz KDRVLCAYVALHSW-MNOVXSKESA-N 1 0 212.337 1.618 40 0 BDABRO COc1ccc(OC2CC[NH2+]CC2)nc1 ZINC000059688800 188258746 /nfs/dbraw/zinc/25/87/46/188258746.db2.gz CSZPBZUNXGHIIE-UHFFFAOYSA-N 1 0 208.261 1.221 40 0 BDABRO C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)N1CCOCC1 ZINC000019366074 188280418 /nfs/dbraw/zinc/28/04/18/188280418.db2.gz DGSFCBWUKDGJBJ-KBPBESRZSA-N 1 0 238.375 1.441 40 0 BDABRO CC(C)N(Cc1ccco1)C(=O)[C@H](C)[NH3+] ZINC000079436422 188292133 /nfs/dbraw/zinc/29/21/33/188292133.db2.gz BCKNVJVMYOHBBX-VIFPVBQESA-N 1 0 210.277 1.364 40 0 BDABRO CC(C)N(Cc1ccc(Cl)nc1)C(=O)C[NH3+] ZINC000079421537 188292304 /nfs/dbraw/zinc/29/23/04/188292304.db2.gz UBQIOJBIISFKGL-UHFFFAOYSA-N 1 0 241.722 1.431 40 0 BDABRO CSc1nccc(N[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000079439881 188292344 /nfs/dbraw/zinc/29/23/44/188292344.db2.gz YYXYPLGLBMENEP-RKDXNWHRSA-N 1 0 238.360 1.880 40 0 BDABRO Cc1nc(N)c2ccc([C@@H]3CCC[NH2+]3)nc2n1 ZINC000072343704 188307320 /nfs/dbraw/zinc/30/73/20/188307320.db2.gz JKIXTULEMVDAAB-VIFPVBQESA-N 1 0 229.287 1.340 40 0 BDABRO C[N@@H+]1CCC[C@@H](CO)[C@@H]1c1cccnc1 ZINC000096515817 188321035 /nfs/dbraw/zinc/32/10/35/188321035.db2.gz PEGYGTJMLPKERQ-RYUDHWBXSA-N 1 0 206.289 1.457 40 0 BDABRO C[N@@H+]1CCC[C@@H](C(=O)NCc2ccncc2)C1 ZINC000081225862 188312288 /nfs/dbraw/zinc/31/22/88/188312288.db2.gz UODXXLHXBJBJOX-GFCCVEGCSA-N 1 0 233.315 1.040 40 0 BDABRO COc1ccc(OCc2n[nH]c([C@H](C)[NH3+])n2)cc1 ZINC000095534654 188319776 /nfs/dbraw/zinc/31/97/76/188319776.db2.gz AXJISTCVMRHFEB-QMMMGPOBSA-N 1 0 248.286 1.412 40 0 BDABRO C[n+]1cccc(-c2nc3ccc(N)cc3o2)c1 ZINC000226777866 188330853 /nfs/dbraw/zinc/33/08/53/188330853.db2.gz IFDQCAZHTHBNEF-UHFFFAOYSA-N 1 0 226.259 1.902 40 0 BDABRO COc1ccc(O[C@@H]2CCC[NH2+]C2)nc1 ZINC000095483720 188364193 /nfs/dbraw/zinc/36/41/93/188364193.db2.gz PGJYHNNFZJFDNQ-SNVBAGLBSA-N 1 0 208.261 1.221 40 0 BDABRO Fc1ccc(CCN2CC[NH2+]CC2)cc1F ZINC000035874643 180963932 /nfs/dbraw/zinc/96/39/32/180963932.db2.gz DUYKKJIQVQCWLS-UHFFFAOYSA-N 1 0 226.270 1.413 40 0 BDABRO CC(C)(C)OC(=O)CC[NH2+]C[C@@H]1CCCO1 ZINC000005066399 353554432 /nfs/dbraw/zinc/55/44/32/353554432.db2.gz PDRZELNRIGBAJE-JTQLQIEISA-N 1 0 229.320 1.487 40 0 BDABRO Fc1cccnc1N[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC000096072662 181017636 /nfs/dbraw/zinc/01/76/36/181017636.db2.gz FQFHPHPQJXWYRC-SKDRFNHKSA-N 1 0 237.278 1.154 40 0 BDABRO Cc1cccc(OC[C@]2(O)CCC[NH2+]C2)c1 ZINC000383836778 355375945 /nfs/dbraw/zinc/37/59/45/355375945.db2.gz WKYRBXDBYBKCIT-ZDUSSCGKSA-N 1 0 221.300 1.488 40 0 BDABRO NC(=[NH2+])NCc1csc(C2CCC2)n1 ZINC000095093886 181190674 /nfs/dbraw/zinc/19/06/74/181190674.db2.gz FXLLDMFCOWIING-UHFFFAOYSA-N 1 0 210.306 1.394 40 0 BDABRO NC(=O)C1(CCCc2ccccn2)CC[NH2+]CC1 ZINC000072343785 181213854 /nfs/dbraw/zinc/21/38/54/181213854.db2.gz PKERLZOSYGXDLO-UHFFFAOYSA-N 1 0 247.342 1.259 40 0 BDABRO NC(=O)CC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000000034638 181225594 /nfs/dbraw/zinc/22/55/94/181225594.db2.gz MHLLUGXZWLJYSC-UHFFFAOYSA-N 1 0 222.332 1.420 40 0 BDABRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000054602962 363506470 /nfs/dbraw/zinc/50/64/70/363506470.db2.gz BBOVLYSNYGBTCQ-AOOOYVTPSA-N 1 0 205.257 1.976 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)s1 ZINC000212449605 356836001 /nfs/dbraw/zinc/83/60/01/356836001.db2.gz PURARSDHSLTWJZ-NKWVEPMBSA-N 1 0 245.731 1.878 40 0 BDABRO COC(=O)c1cccnc1NC[C@H]1CCC[NH2+]C1 ZINC000040434933 357023408 /nfs/dbraw/zinc/02/34/08/357023408.db2.gz RDZBFRPIHNARDG-JTQLQIEISA-N 1 0 249.314 1.280 40 0 BDABRO COc1cc(C[NH2+]Cc2ccnn2C)ccc1O ZINC000020352619 357339857 /nfs/dbraw/zinc/33/98/57/357339857.db2.gz YQVHVURYFBVBJP-UHFFFAOYSA-N 1 0 247.298 1.424 40 0 BDABRO [NH3+][C@H]1c2cc(Br)ccc2C[C@H]1O ZINC000039941414 491110700 /nfs/dbraw/zinc/11/07/00/491110700.db2.gz BCTITPKCHCGPPC-BDAKNGLRSA-N 1 0 228.089 1.366 40 0 BDABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000037470166 358992282 /nfs/dbraw/zinc/99/22/82/358992282.db2.gz NVISSTNTBKVSPW-SNVBAGLBSA-N 1 0 228.336 1.995 40 0 BDABRO [NH3+]C1(c2ccc(Br)nc2)CC1 ZINC000095642367 181333887 /nfs/dbraw/zinc/33/38/87/181333887.db2.gz YNTSQURMXCZMJA-UHFFFAOYSA-N 1 0 213.078 1.792 40 0 BDABRO [NH3+]C1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000058827012 181345250 /nfs/dbraw/zinc/34/52/50/181345250.db2.gz BPRKIKNLVZACAX-UHFFFAOYSA-N 1 0 226.270 1.888 40 0 BDABRO [NH3+]CCN(Cc1cnc(Cl)s1)C1CC1 ZINC000079421976 181390283 /nfs/dbraw/zinc/39/02/83/181390283.db2.gz SYGYLJOMLNRXKT-UHFFFAOYSA-N 1 0 231.752 1.720 40 0 BDABRO [NH3+]CCc1ncc(-c2ccc(F)cc2)o1 ZINC000011587012 181414116 /nfs/dbraw/zinc/41/41/16/181414116.db2.gz IIPYTSCDDXTMJU-UHFFFAOYSA-N 1 0 206.220 1.982 40 0 BDABRO c1c[nH]c(-c2cncc([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000205683859 368356322 /nfs/dbraw/zinc/35/63/22/368356322.db2.gz OUTUFPDZFPEORX-SECBINFHSA-N 1 0 229.287 1.334 40 0 BDABRO c1ncc(C[C@@H]2COC3(C2)CC[NH2+]CC3)cn1 ZINC000205674763 368356973 /nfs/dbraw/zinc/35/69/73/368356973.db2.gz JONBDBCGBXQMBZ-NSHDSACASA-N 1 0 233.315 1.178 40 0 BDABRO CC(C)[N@@H+]1CC[C@@H](c2ccnc3nccn32)C1 ZINC000205697231 368357743 /nfs/dbraw/zinc/35/77/43/368357743.db2.gz MZFAZCPNRNEPSO-LLVKDONJSA-N 1 0 230.315 1.927 40 0 BDABRO Cc1ccnc([C@H]2CC[N@@H+](C3CCOCC3)C2)n1 ZINC000205694524 368358197 /nfs/dbraw/zinc/35/81/97/368358197.db2.gz KKDGWUWEHBQSKJ-LBPRGKRZSA-N 1 0 247.342 1.753 40 0 BDABRO Cc1cc(-c2cccc(C[C@@H]3CC[NH2+]C3)n2)n[nH]1 ZINC000205686028 368358766 /nfs/dbraw/zinc/35/87/66/368358766.db2.gz NALBUYWRESMEFD-NSHDSACASA-N 1 0 242.326 1.932 40 0 BDABRO c1ncc([C@@H]2CCC[NH2+]2)nc1NC1CCOCC1 ZINC000205698083 368359775 /nfs/dbraw/zinc/35/97/75/368359775.db2.gz UYPQJPLFUSJWKY-NSHDSACASA-N 1 0 248.330 1.492 40 0 BDABRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000205701038 368359844 /nfs/dbraw/zinc/35/98/44/368359844.db2.gz ZVUDSIYLERMVKA-GFCCVEGCSA-N 1 0 247.342 1.349 40 0 BDABRO OCc1cc([C@H]2CCC[N@@H+]2C2CCCC2)[nH]n1 ZINC000205701567 368359963 /nfs/dbraw/zinc/35/99/63/368359963.db2.gz XKJJUHHISNMSDL-CYBMUJFWSA-N 1 0 235.331 1.982 40 0 BDABRO CC[NH+](CC)CCOC(=O)CCC(C)=O ZINC000001562169 368648941 /nfs/dbraw/zinc/64/89/41/368648941.db2.gz HAWGKYAZYUKFOO-UHFFFAOYSA-N 1 0 215.293 1.241 40 0 BDABRO CN1C[C@H]([NH3+])[C@@H](c2ccccc2Cl)C1 ZINC000225606518 259541004 /nfs/dbraw/zinc/54/10/04/259541004.db2.gz HHFMGYILVGZFJM-KOLCDFICSA-N 1 0 210.708 1.696 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H]([NH3+])[C@@H]21 ZINC000514269646 369720927 /nfs/dbraw/zinc/72/09/27/369720927.db2.gz LKFGPMRVNCQJHB-IWSPIJDZSA-N 1 0 212.293 1.343 40 0 BDABRO C[N@@H+]1CCC[C@@H](CO)[C@H]1c1cccnc1 ZINC000110754795 369975531 /nfs/dbraw/zinc/97/55/31/369975531.db2.gz PEGYGTJMLPKERQ-NWDGAFQWSA-N 1 0 206.289 1.457 40 0 BDABRO CN(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1cccc(N)c1 ZINC000242463420 259543525 /nfs/dbraw/zinc/54/35/25/259543525.db2.gz DANXGDIJIYQMCE-QWHCGFSZSA-N 1 0 247.342 1.002 40 0 BDABRO [NH3+][C@@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000049577858 181588973 /nfs/dbraw/zinc/58/89/73/181588973.db2.gz VKVICYGZWPAIHB-SECBINFHSA-N 1 0 212.243 1.498 40 0 BDABRO CO[C@@]12COC(=O)[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000002547043 371578247 /nfs/dbraw/zinc/57/82/47/371578247.db2.gz HOJNYORDDSEUCZ-JSGCOSHPSA-N 1 0 247.294 1.060 40 0 BDABRO CC(C)(C)OC(=O)N[C@]1(C)CC[C@@H]([NH3+])C1 ZINC000215737567 371624115 /nfs/dbraw/zinc/62/41/15/371624115.db2.gz IENWELREOWCTHU-LDYMZIIASA-N 1 0 214.309 1.781 40 0 BDABRO O=C(c1c[nH]cn1)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257325178 182647583 /nfs/dbraw/zinc/64/75/83/182647583.db2.gz WRUQDSCBNJKMAA-GHMZBOCLSA-N 1 0 248.330 1.014 40 0 BDABRO O=C1N(Cc2cccnc2)CCC12CC[NH2+]CC2 ZINC000259220202 182789553 /nfs/dbraw/zinc/78/95/53/182789553.db2.gz OLBUUJNDYOEPRX-UHFFFAOYSA-N 1 0 245.326 1.184 40 0 BDABRO O=C1N(CC(F)(F)F)CCC12CC[NH2+]CC2 ZINC000098214169 182790064 /nfs/dbraw/zinc/79/00/64/182790064.db2.gz WPGSEUSMPPZUQE-UHFFFAOYSA-N 1 0 236.237 1.151 40 0 BDABRO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH2+]CC2 ZINC000096261128 182796834 /nfs/dbraw/zinc/79/68/34/182796834.db2.gz BWRNAQWQNXPJEF-GFCCVEGCSA-N 1 0 230.311 1.412 40 0 BDABRO OC1[C@H]2COC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000072266349 183032182 /nfs/dbraw/zinc/03/21/82/183032182.db2.gz FCQHVMVLHYLCFT-PBWFPOADSA-N 1 0 233.311 1.126 40 0 BDABRO OCC[NH+]1CC2(C1)CCN(c1ccccc1)C2 ZINC000096202784 183073136 /nfs/dbraw/zinc/07/31/36/183073136.db2.gz JFEDXTNGZKLKSX-UHFFFAOYSA-N 1 0 232.327 1.191 40 0 BDABRO OCC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000072381323 183074855 /nfs/dbraw/zinc/07/48/55/183074855.db2.gz BTTSYNKLEYNRJC-LLVKDONJSA-N 1 0 206.289 1.253 40 0 BDABRO OCC[NH2+]CCNCc1c(F)cccc1Cl ZINC000023255773 183078137 /nfs/dbraw/zinc/07/81/37/183078137.db2.gz MBPUQIBMIDJFEF-UHFFFAOYSA-N 1 0 246.713 1.151 40 0 BDABRO OCCOCC1CC[NH+](Cc2ccccc2)CC1 ZINC000079390548 183082829 /nfs/dbraw/zinc/08/28/29/183082829.db2.gz FCKWFMURIIWDIM-UHFFFAOYSA-N 1 0 249.354 1.908 40 0 BDABRO O[C@@H](C[NH+]1CCCCC1)c1ccncc1 ZINC000005052259 183176542 /nfs/dbraw/zinc/17/65/42/183176542.db2.gz WHHNFJHZZRKLIW-LBPRGKRZSA-N 1 0 206.289 1.601 40 0 BDABRO O[C@@H]1C[NH2+]CC[C@]12CCC[N@@H+]2Cc1ccccc1 ZINC000257298306 183207675 /nfs/dbraw/zinc/20/76/75/183207675.db2.gz RLDJWVWHQRDLQE-HUUCEWRRSA-N 1 0 246.354 1.375 40 0 BDABRO O[C@H]1CC[N@H+](Cc2ccncc2)C[C@@]12CCCO2 ZINC000257218567 183240468 /nfs/dbraw/zinc/24/04/68/183240468.db2.gz DDPAJDRDUDFUBM-KBPBESRZSA-N 1 0 248.326 1.197 40 0 BDABRO O[C@H]1C[N@H+](Cc2ccccc2)CC[C@@]12CCCO2 ZINC000257276065 183243658 /nfs/dbraw/zinc/24/36/58/183243658.db2.gz NSFSBCGIFPBYJW-GJZGRUSLSA-N 1 0 247.338 1.802 40 0 BDABRO c1cc(-c2cnc(C3CC[NH2+]CC3)cn2)n[nH]1 ZINC000257255575 183328577 /nfs/dbraw/zinc/32/85/77/183328577.db2.gz KHZZXQDEEKUTMT-UHFFFAOYSA-N 1 0 229.287 1.334 40 0 BDABRO c1cc(-c2cccc([C@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000257316639 183329498 /nfs/dbraw/zinc/32/94/98/183329498.db2.gz VGKRXFNXBQOLNW-JTQLQIEISA-N 1 0 228.299 1.939 40 0 BDABRO c1cc(-c2n[nH]c([C@@H]3CCC[NH2+]C3)n2)ccn1 ZINC000012114036 183330284 /nfs/dbraw/zinc/33/02/84/183330284.db2.gz KPQZYPQCVHROHD-SNVBAGLBSA-N 1 0 229.287 1.334 40 0 BDABRO c1cc(-c2n[nH]c3c2[C@@H]2CC[C@H](C3)[NH2+]2)ccn1 ZINC000096510293 183331061 /nfs/dbraw/zinc/33/10/61/183331061.db2.gz XYZDUXHRURFAGI-ZJUUUORDSA-N 1 0 226.283 1.821 40 0 BDABRO CCCNC(=O)COc1ccc(C[NH3+])cc1 ZINC000022144177 169231282 /nfs/dbraw/zinc/23/12/82/169231282.db2.gz QTNCSROJWMBYHZ-UHFFFAOYSA-N 1 0 222.288 1.050 40 0 BDABRO CCCNC(=O)COc1cccc(C[NH3+])c1 ZINC000019273544 169231428 /nfs/dbraw/zinc/23/14/28/169231428.db2.gz SZKRGBJVROCJJH-UHFFFAOYSA-N 1 0 222.288 1.050 40 0 BDABRO CCC[N@@H+]1CCc2[nH]c(=S)ncc2C1 ZINC000049474155 169209445 /nfs/dbraw/zinc/20/94/45/169209445.db2.gz QHXZUUZGQZBNCK-UHFFFAOYSA-N 1 0 209.318 1.533 40 0 BDABRO c1cc2c(c(NC3=[NH+]CCN3)c1)CCCC2 ZINC000001534528 183365117 /nfs/dbraw/zinc/36/51/17/183365117.db2.gz QQJLHRRUATVHED-UHFFFAOYSA-N 1 0 215.300 1.937 40 0 investigational BDABRO c1cc2c(C[C@H]3C[NH2+]CCOC3)nccn2c1 ZINC000257198091 183365300 /nfs/dbraw/zinc/36/53/00/183365300.db2.gz SJKIHVBQCCKKDU-NSHDSACASA-N 1 0 231.299 1.113 40 0 BDABRO c1cc2nc(C3CC[NH2+]CC3)nc-2c[nH]1 ZINC000019763588 183377078 /nfs/dbraw/zinc/37/70/78/183377078.db2.gz WDEVWLXKLCSSAA-UHFFFAOYSA-N 1 0 202.261 1.425 40 0 BDABRO c1ccc(-c2nnc([C@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000042013530 183381955 /nfs/dbraw/zinc/38/19/55/183381955.db2.gz QCEJBMDFLLICFF-SNVBAGLBSA-N 1 0 214.272 1.896 40 0 BDABRO c1ccc(-c2nnc3c(n2)CC[NH2+]C3)cc1 ZINC000095935368 183384908 /nfs/dbraw/zinc/38/49/08/183384908.db2.gz OOLIIPWLWOPDGF-UHFFFAOYSA-N 1 0 212.256 1.184 40 0 BDABRO CCC[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256052029 169267591 /nfs/dbraw/zinc/26/75/91/169267591.db2.gz LPHGLTHSEMQLKV-UHFFFAOYSA-N 1 0 203.236 1.648 40 0 BDABRO CC(C)[NH+]1CCC(n2cc(N)cn2)CC1 ZINC000066351592 383860992 /nfs/dbraw/zinc/86/09/92/383860992.db2.gz ZZQXMFFNBHDUDC-UHFFFAOYSA-N 1 0 208.309 1.511 40 0 BDABRO CCN(C[C@H]1CC[NH2+]C1)C(=O)OC(C)(C)C ZINC000034353987 383865054 /nfs/dbraw/zinc/86/50/54/383865054.db2.gz NYYCZYNMSIYBIS-JTQLQIEISA-N 1 0 228.336 1.853 40 0 BDABRO N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000035677138 383867112 /nfs/dbraw/zinc/86/71/12/383867112.db2.gz SICBHEQTGNGHHL-MRVPVSSYSA-N 1 0 215.094 1.408 40 0 BDABRO [NH3+][C@@H](CO)c1ccc(F)c(C(F)(F)F)c1 ZINC000072198450 384016588 /nfs/dbraw/zinc/01/65/88/384016588.db2.gz UJJZTXPJTZTQQM-QMMMGPOBSA-N 1 0 223.169 1.837 40 0 BDABRO CC[C@@H](CO)[NH2+]Cc1cc(C)ccc1OC ZINC000035161776 384018386 /nfs/dbraw/zinc/01/83/86/384018386.db2.gz TUCWXCFIOYSXAN-LBPRGKRZSA-N 1 0 223.316 1.864 40 0 BDABRO O=C1OCC[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000004203333 384044735 /nfs/dbraw/zinc/04/47/35/384044735.db2.gz QPZOFKOCEPRLRF-AWEZNQCLSA-N 1 0 231.295 1.826 40 0 BDABRO CCCc1noc(-c2cc[nH+]c(NN)c2)n1 ZINC000070451556 384109110 /nfs/dbraw/zinc/10/91/10/384109110.db2.gz HTMOGNOGMUAXBX-UHFFFAOYSA-N 1 0 219.248 1.370 40 0 BDABRO C[NH+](C)CCCNC(=O)c1c(F)cccc1F ZINC000005677747 384124072 /nfs/dbraw/zinc/12/40/72/384124072.db2.gz SVZFXPGSTMOLAF-UHFFFAOYSA-N 1 0 242.269 1.646 40 0 BDABRO CC(C)N(Cc1ccsc1)C(=O)[C@H](C)[NH3+] ZINC000079436433 384147038 /nfs/dbraw/zinc/14/70/38/384147038.db2.gz GGNQKRLMYCIKQR-VIFPVBQESA-N 1 0 226.345 1.832 40 0 BDABRO CC(C)[N@H+](CCO)Cc1cnc(Cl)s1 ZINC000079421960 384142006 /nfs/dbraw/zinc/14/20/06/384142006.db2.gz DORUUVIHVDAZRJ-UHFFFAOYSA-N 1 0 234.752 1.999 40 0 BDABRO C[N@H+](C1CC1)C1CCC([NH2+]CC(=O)[O-])CC1 ZINC000079419809 384144985 /nfs/dbraw/zinc/14/49/85/384144985.db2.gz MLOAZEOHZUISAY-UHFFFAOYSA-N 1 0 226.320 1.066 40 0 BDABRO CC(C)(C)OC(=O)Nc1cccc(CC[NH3+])n1 ZINC000071617382 384173480 /nfs/dbraw/zinc/17/34/80/384173480.db2.gz MMUMKEOHDJZUDT-UHFFFAOYSA-N 1 0 237.303 1.930 40 0 BDABRO CCN(C(=O)OC(C)(C)C)C1C[NH2+]C1 ZINC000071624767 384174118 /nfs/dbraw/zinc/17/41/18/384174118.db2.gz JSDWCZZDKHFHKH-UHFFFAOYSA-N 1 0 200.282 1.215 40 0 in-vitro BDABRO CC(C)Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000062257521 384161938 /nfs/dbraw/zinc/16/19/38/384161938.db2.gz VABHRYJFVWSGNS-SECBINFHSA-N 1 0 209.293 1.735 40 0 BDABRO CCOc1c(C[NH2+]CCOC)cccc1OC ZINC000008253467 384198148 /nfs/dbraw/zinc/19/81/48/384198148.db2.gz VBUITQUHGZQCEZ-UHFFFAOYSA-N 1 0 239.315 1.830 40 0 BDABRO Nc1nc2nc([C@@H]3CC[NH2+]C3)ccc2s1 ZINC000072344498 384208147 /nfs/dbraw/zinc/20/81/47/384208147.db2.gz VSCHCFAKVLCBSB-ZCFIWIBFSA-N 1 0 220.301 1.350 40 0 BDABRO Nc1nc2nc([C@H]3CC[NH2+]C3)ccc2s1 ZINC000072344499 384208163 /nfs/dbraw/zinc/20/81/63/384208163.db2.gz VSCHCFAKVLCBSB-LURJTMIESA-N 1 0 220.301 1.350 40 0 BDABRO [NH3+]CCc1noc(COc2ccccc2)n1 ZINC000008729410 384212638 /nfs/dbraw/zinc/21/26/38/384212638.db2.gz ZPVPPXTUSRYVGI-UHFFFAOYSA-N 1 0 219.244 1.150 40 0 BDABRO Cc1nccc(N2CCC[C@H]2Cn2cccn2)n1 ZINC000072369062 384213387 /nfs/dbraw/zinc/21/33/87/384213387.db2.gz RSVNDMBPLUDBHN-LBPRGKRZSA-N 1 0 243.314 1.651 40 0 BDABRO CN(C)c1cccc([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000072381357 384217791 /nfs/dbraw/zinc/21/77/91/384217791.db2.gz SKIAAXNECISOST-LBPRGKRZSA-N 1 0 249.358 1.319 40 0 BDABRO CC(=O)N1CC[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000072386360 384219172 /nfs/dbraw/zinc/21/91/72/384219172.db2.gz FSBIFESCFSWAAO-LBPRGKRZSA-N 1 0 247.342 1.792 40 0 BDABRO CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000082370887 384263942 /nfs/dbraw/zinc/26/39/42/384263942.db2.gz ZFUJATNIGNCUKO-DTWKUNHWSA-N 1 0 214.309 1.591 40 0 BDABRO CCCCNC(=O)CC1CC[NH+](C)CC1 ZINC000074920888 384311194 /nfs/dbraw/zinc/31/11/94/384311194.db2.gz RPOMHZJOLPUNFD-UHFFFAOYSA-N 1 0 212.337 1.635 40 0 BDABRO CCCC[NH+](CCCC)CC(=O)NC(N)=O ZINC000001598005 384407585 /nfs/dbraw/zinc/40/75/85/384407585.db2.gz IYZKSPKMQZCCBN-UHFFFAOYSA-N 1 0 229.324 1.084 40 0 BDABRO Nc1ncc2c(n1)CN(Cc1ccccc1)C2 ZINC000095931270 384410063 /nfs/dbraw/zinc/41/00/63/384410063.db2.gz GEVBPDWWIHZQOO-UHFFFAOYSA-N 1 0 226.283 1.575 40 0 BDABRO CC(C)(C)OC(=O)N1CC[NH2+][C@H](C2CC2)C1 ZINC000095642329 384385718 /nfs/dbraw/zinc/38/57/18/384385718.db2.gz HHEGEBMPXPIGCR-JTQLQIEISA-N 1 0 226.320 1.605 40 0 BDABRO c1cnc(N2CC[C@]3(CC[N@H+]3CC3CC3)C2)nc1 ZINC000096228662 384445745 /nfs/dbraw/zinc/44/57/45/384445745.db2.gz KGOIUMKRRVLMFK-AWEZNQCLSA-N 1 0 244.342 1.541 40 0 BDABRO c1csc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096252570 384446624 /nfs/dbraw/zinc/44/66/24/384446624.db2.gz LRWCFBIVFOWEPK-AOOOYVTPSA-N 1 0 208.330 1.684 40 0 BDABRO [NH3+]C[C@H]1CCN1C(=O)OCc1ccccc1 ZINC000016083196 384451475 /nfs/dbraw/zinc/45/14/75/384451475.db2.gz PPUBHDIIKVQLMJ-LLVKDONJSA-N 1 0 220.272 1.356 40 0 BDABRO O=C1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)N1 ZINC000096056439 384429269 /nfs/dbraw/zinc/42/92/69/384429269.db2.gz GRTUXCZWSPHQHT-MNOVXSKESA-N 1 0 236.340 1.601 40 0 BDABRO [NH3+][C@]12C[C@H]1CN(Cc1cccc(Cl)c1)C2 ZINC000096054893 384429482 /nfs/dbraw/zinc/42/94/82/384429482.db2.gz VSOGENVWTLGJDG-JQWIXIFHSA-N 1 0 222.719 1.873 40 0 BDABRO O=C(C1CCCCC1)N1C[C@@H]2CC[NH2+]C[C@@H]21 ZINC000096056683 384431933 /nfs/dbraw/zinc/43/19/33/384431933.db2.gz BGPZTINPUOJBHE-RYUDHWBXSA-N 1 0 222.332 1.387 40 0 BDABRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccccn1)C2 ZINC000096108624 384434275 /nfs/dbraw/zinc/43/42/75/384434275.db2.gz VBTRSPQNOCHCLK-TZMCWYRMSA-N 1 0 248.326 1.176 40 0 BDABRO C[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 ZINC000096186439 384438990 /nfs/dbraw/zinc/43/89/90/384438990.db2.gz XEJDPMBXKHAPSJ-STQMWFEESA-N 1 0 230.311 1.886 40 0 BDABRO Nc1nc(N2CCCCC2)cc(C2CC2)[nH+]1 ZINC000078404606 384443360 /nfs/dbraw/zinc/44/33/60/384443360.db2.gz VIAGVRQTUJTKPY-UHFFFAOYSA-N 1 0 218.304 1.927 40 0 BDABRO c1cc(N2CCCC2)nnc1C[C@@H]1CCC[NH2+]C1 ZINC000072386388 384501096 /nfs/dbraw/zinc/50/10/96/384501096.db2.gz BNNKVDXATGVJEY-LBPRGKRZSA-N 1 0 246.358 1.619 40 0 BDABRO Cc1nc2c(n1-c1ccccc1)CC[NH2+]C2 ZINC000082940664 384607492 /nfs/dbraw/zinc/60/74/92/384607492.db2.gz FCFBMUZIJDTNDN-UHFFFAOYSA-N 1 0 213.284 1.826 40 0 BDABRO C[N@@H+]1CCC[C@@H](C(=O)NC2CCCC2)C1 ZINC000082303883 384663780 /nfs/dbraw/zinc/66/37/80/384663780.db2.gz DKYFMUSEJJXKKZ-SNVBAGLBSA-N 1 0 210.321 1.387 40 0 BDABRO C[C@@H]([NH2+]C(C)(C)CO)C(=O)c1ccc(F)cc1 ZINC000022059468 384725781 /nfs/dbraw/zinc/72/57/81/384725781.db2.gz LXAJJRTTWLABBD-SECBINFHSA-N 1 0 239.290 1.757 40 0 in-vitro BDABRO C[C@H]([NH2+]C(C)(C)CO)C(=O)c1ccc(F)cc1 ZINC000022059472 384726273 /nfs/dbraw/zinc/72/62/73/384726273.db2.gz LXAJJRTTWLABBD-VIFPVBQESA-N 1 0 239.290 1.757 40 0 in-vitro BDABRO Nc1cccc(-c2nc(C[NH3+])cs2)c1 ZINC000083344427 384763251 /nfs/dbraw/zinc/76/32/51/384763251.db2.gz QUXOFRGYFWHYLG-UHFFFAOYSA-N 1 0 205.286 1.851 40 0 BDABRO CC(C)c1noc(CSC(N)=[NH2+])n1 ZINC000083589057 384781378 /nfs/dbraw/zinc/78/13/78/384781378.db2.gz UYTYKTPWMKWKHJ-UHFFFAOYSA-N 1 0 200.267 1.320 40 0 BDABRO c1cncc(N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000003937364 384885619 /nfs/dbraw/zinc/88/56/19/384885619.db2.gz GIMNNDHNRSREAB-LBPRGKRZSA-N 1 0 203.289 1.414 40 0 BDABRO CCn1ccnc1[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000083721117 384850651 /nfs/dbraw/zinc/85/06/51/384850651.db2.gz ZIUURKZUGRXXDW-UWVGGRQHSA-N 1 0 209.293 1.329 40 0 BDABRO CCc1ccc(CC(=O)NCC[NH+](C)C)cc1 ZINC000174980333 384856016 /nfs/dbraw/zinc/85/60/16/384856016.db2.gz KMTWWDIYPDMHRS-UHFFFAOYSA-N 1 0 234.343 1.469 40 0 BDABRO C[C@@H]1[C@H](C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000107155217 384952304 /nfs/dbraw/zinc/95/23/04/384952304.db2.gz ZEGUGBZHMDGDJD-BDAKNGLRSA-N 1 0 214.309 1.591 40 0 BDABRO O=C(Nc1ccc(O)cc1)[C@@H]1CCCCC[NH2+]1 ZINC000083896827 384921980 /nfs/dbraw/zinc/92/19/80/384921980.db2.gz RSZVOXNMSDIVQS-LBPRGKRZSA-N 1 0 234.299 1.863 40 0 BDABRO c1ccc(CN2CC[C@@]3(CC[NH2+]3)C2)cc1 ZINC000085223548 384928872 /nfs/dbraw/zinc/92/88/72/384928872.db2.gz DMEVQAIDIWCDNI-ZDUSSCGKSA-N 1 0 202.301 1.624 40 0 BDABRO CCOc1c(C)cccc1C[NH2+]CCO ZINC000095094826 384960108 /nfs/dbraw/zinc/96/01/08/384960108.db2.gz KJCQEXWTENOAFV-UHFFFAOYSA-N 1 0 209.289 1.476 40 0 BDABRO Cc1ccc(CN2CC[NH2+][C@@H](C)C2)cc1 ZINC000071509115 384940096 /nfs/dbraw/zinc/94/00/96/384940096.db2.gz ZZOJKEPWSUKPEU-LBPRGKRZSA-N 1 0 204.317 1.789 40 0 BDABRO CC[C@H]([NH3+])Cc1cc(OC)ccc1OC ZINC000029392701 384990807 /nfs/dbraw/zinc/99/08/07/384990807.db2.gz BGWUWDWDTLZQAZ-JTQLQIEISA-N 1 0 209.289 1.984 40 0 BDABRO CC[n+]1ccc(-c2nn3cnnc3s2)cc1 ZINC000226773687 385051437 /nfs/dbraw/zinc/05/14/37/385051437.db2.gz URLUZNKSOLBHQU-UHFFFAOYSA-N 1 0 232.292 1.160 40 0 BDABRO CN(Cc1ccc(Cl)nc1)[C@@H]1CCC[NH2+]C1 ZINC000072203355 385055905 /nfs/dbraw/zinc/05/59/05/385055905.db2.gz SJZYYEMXHFHPNN-LLVKDONJSA-N 1 0 239.750 1.919 40 0 BDABRO CNC(=O)C[C@H](c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000072208318 385061683 /nfs/dbraw/zinc/06/16/83/385061683.db2.gz UHWOETRDJGJSHV-CHWSQXEVSA-N 1 0 232.327 1.658 40 0 BDABRO CCOC(=O)[C@H](N)[C@](C)(CC)[NH+](CC)CC ZINC000072210569 385067829 /nfs/dbraw/zinc/06/78/29/385067829.db2.gz XYINXNDVJREPAP-JQWIXIFHSA-N 1 0 230.352 1.387 40 0 BDABRO COc1ccc(OCc2n[nH]c([C@@H](C)[NH3+])n2)cc1 ZINC000095534655 385046771 /nfs/dbraw/zinc/04/67/71/385046771.db2.gz AXJISTCVMRHFEB-MRVPVSSYSA-N 1 0 248.286 1.412 40 0 BDABRO CCC(=O)c1ccc(N2CC[NH2+]CC2)nc1C ZINC000072224618 385119774 /nfs/dbraw/zinc/11/97/74/385119774.db2.gz NDRFVEFFKSGDTR-UHFFFAOYSA-N 1 0 233.315 1.392 40 0 BDABRO C[C@@H]([NH3+])c1c2c(c[nH]c1=O)CCCCC2 ZINC000072226581 385127581 /nfs/dbraw/zinc/12/75/81/385127581.db2.gz RWVIADQQRKKITF-MRVPVSSYSA-N 1 0 206.289 1.664 40 0 BDABRO C[N@@H+]1CCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216148 385092410 /nfs/dbraw/zinc/09/24/10/385092410.db2.gz RANFLFIXFQBPPO-ZDUSSCGKSA-N 1 0 247.342 1.685 40 0 BDABRO O=C1Nc2ccccc2C12CC[NH+](CCF)CC2 ZINC000109851333 385193682 /nfs/dbraw/zinc/19/36/82/385193682.db2.gz RWNLQFKLVAKGFX-UHFFFAOYSA-N 1 0 248.301 1.942 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@]([NH3+])(CF)C1 ZINC000089223440 385194089 /nfs/dbraw/zinc/19/40/89/385194089.db2.gz VCUPYPHVRNFASM-SNVBAGLBSA-N 1 0 218.272 1.294 40 0 BDABRO Cc1ccoc1[C@@H](O)C1(C[NH3+])CCOCC1 ZINC000085395961 385159507 /nfs/dbraw/zinc/15/95/07/385159507.db2.gz TUSZRUQWIZRKKB-LLVKDONJSA-N 1 0 225.288 1.377 40 0 BDABRO [NH3+][C@H]1CCN(c2cc(C3CC3)nc(C3CC3)n2)C1 ZINC000096517001 385256311 /nfs/dbraw/zinc/25/63/11/385256311.db2.gz UUSMPJPFXRDPOK-NSHDSACASA-N 1 0 244.342 1.769 40 0 BDABRO c1c(C2CC2)nn2ccnc(N3CC[NH2+]CC3)c12 ZINC000096516388 385258137 /nfs/dbraw/zinc/25/81/37/385258137.db2.gz ZPNVEHULCGWIBX-UHFFFAOYSA-N 1 0 243.314 1.016 40 0 BDABRO CC(C)C[C@H]([NH3+])c1nc2cnccc2c(=O)[nH]1 ZINC000096510442 385250774 /nfs/dbraw/zinc/25/07/74/385250774.db2.gz RORHIJDTEIQPRU-VIFPVBQESA-N 1 0 232.287 1.776 40 0 BDABRO Cn1cccc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000096511467 385253040 /nfs/dbraw/zinc/25/30/40/385253040.db2.gz YXKFFFZOFFWBLU-UHFFFAOYSA-N 1 0 246.314 1.617 40 0 BDABRO [NH3+]CCn1nc(-c2cccc(F)c2)ccc1=O ZINC000096517285 385315778 /nfs/dbraw/zinc/31/57/78/385315778.db2.gz SIFUFZSBCWWRDA-UHFFFAOYSA-N 1 0 233.246 1.008 40 0 BDABRO [NH3+][C@@H]1CCN(c2cc3c(nn2)CCCCC3)C1 ZINC000096516144 385258500 /nfs/dbraw/zinc/25/85/00/385258500.db2.gz DPBVQDSRDQCVND-LLVKDONJSA-N 1 0 232.331 1.283 40 0 BDABRO CCN1c2ccccc2C(=O)N[C@]12CCC[NH2+]C2 ZINC000096516596 385259207 /nfs/dbraw/zinc/25/92/07/385259207.db2.gz KBNCYYRIZHSZCE-CQSZACIVSA-N 1 0 245.326 1.336 40 0 BDABRO COc1cc(Cl)ccc1CN1CC[C@H]([NH3+])C1 ZINC000096523483 385267584 /nfs/dbraw/zinc/26/75/84/385267584.db2.gz MOFCVFDATAQPJX-NSHDSACASA-N 1 0 240.734 1.882 40 0 BDABRO Cc1noc(C)c1CCN1CCCC[C@@H]1C[NH3+] ZINC000096523592 385268953 /nfs/dbraw/zinc/26/89/53/385268953.db2.gz YGNXHYFQHCYZKL-GFCCVEGCSA-N 1 0 237.347 1.647 40 0 BDABRO COc1ccc(CN2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000096523546 385269119 /nfs/dbraw/zinc/26/91/19/385269119.db2.gz KISPTFPFIAPUTP-CYBMUJFWSA-N 1 0 234.343 1.927 40 0 BDABRO [NH3+][C@@H]1CCN(Cc2nccc3ccccc32)C1 ZINC000096523496 385269840 /nfs/dbraw/zinc/26/98/40/385269840.db2.gz DJDYVYHPPKNEJB-GFCCVEGCSA-N 1 0 227.311 1.768 40 0 BDABRO [NH3+]CCc1noc(-c2cccc(Cl)c2)n1 ZINC000019682115 385274734 /nfs/dbraw/zinc/27/47/34/385274734.db2.gz IKODSGDUFSSWGZ-UHFFFAOYSA-N 1 0 223.663 1.891 40 0 BDABRO [NH3+]C[C@H](O)c1ccc(Br)o1 ZINC000021949733 385333330 /nfs/dbraw/zinc/33/33/30/385333330.db2.gz GWZTUNVYBXSBRV-BYPYZUCNSA-N 1 0 206.039 1.034 40 0 BDABRO CC[C@H]([NH3+])CN(C)c1cnnc2ccccc21 ZINC000095097473 385427405 /nfs/dbraw/zinc/42/74/05/385427405.db2.gz CROBULOUGXKZIL-JTQLQIEISA-N 1 0 230.315 1.803 40 0 BDABRO CC[NH+](CC)CCCn1cccc(N)c1=O ZINC000095098130 385485152 /nfs/dbraw/zinc/48/51/52/385485152.db2.gz CHRBWRIUOADCDP-UHFFFAOYSA-N 1 0 223.320 1.162 40 0 BDABRO O=C(CC1CC[NH2+]CC1)NC1CCCCC1 ZINC000019471900 385514583 /nfs/dbraw/zinc/51/45/83/385514583.db2.gz RQFOYNHAEQAHQZ-UHFFFAOYSA-N 1 0 224.348 1.825 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]([NH3+])C1 ZINC000250595828 385604422 /nfs/dbraw/zinc/60/44/22/385604422.db2.gz RGUXKOMAMWNWBO-CIUDSAMLSA-N 1 0 212.293 1.201 40 0 BDABRO Cc1cc(Br)cn2c(N)c[nH+]c12 ZINC000082693533 385643175 /nfs/dbraw/zinc/64/31/75/385643175.db2.gz ULVASIVRWSYFKH-UHFFFAOYSA-N 1 0 226.077 1.987 40 0 BDABRO CN1CCC[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000026459740 385705224 /nfs/dbraw/zinc/70/52/24/385705224.db2.gz DRIGFTUOAYXPIK-ZIAGYGMSSA-N 1 0 216.328 1.968 40 0 BDABRO CNc1cc([C@H]2CCC[N@@H+]2C)nc(C)n1 ZINC000257252894 385757445 /nfs/dbraw/zinc/75/74/45/385757445.db2.gz JWONDWWDFHERKM-SNVBAGLBSA-N 1 0 206.293 1.593 40 0 BDABRO Cn1cc(CN2CCCC23CC[NH2+]CC3)cn1 ZINC000257708503 385773165 /nfs/dbraw/zinc/77/31/65/385773165.db2.gz SAVKNCODGUFAPK-UHFFFAOYSA-N 1 0 234.347 1.138 40 0 BDABRO COC(=O)c1ccc2c(c1)[C@@]1(CC[NH2+]1)CCO2 ZINC000306145308 385991711 /nfs/dbraw/zinc/99/17/11/385991711.db2.gz BBKPBHUHUGEDRW-CYBMUJFWSA-N 1 0 233.267 1.444 40 0 BDABRO Cc1nc(Cc2ccccc2)[nH]c(=O)c1C[NH3+] ZINC000222419618 386044671 /nfs/dbraw/zinc/04/46/71/386044671.db2.gz DNMSLQORWGBOLS-UHFFFAOYSA-N 1 0 229.283 1.128 40 0 BDABRO C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000038121279 386123519 /nfs/dbraw/zinc/12/35/19/386123519.db2.gz ODEUVXRYEADPRF-VIFPVBQESA-N 1 0 230.105 1.702 40 0 BDABRO C[NH2+][C@@H](C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000037869946 386104335 /nfs/dbraw/zinc/10/43/35/386104335.db2.gz CXRLZLYLPSLTOE-MRVPVSSYSA-N 1 0 232.205 1.451 40 0 BDABRO C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000038121262 386122541 /nfs/dbraw/zinc/12/25/41/386122541.db2.gz XMIUEEBDEWNEOF-SECBINFHSA-N 1 0 219.206 1.958 40 0 BDABRO CCc1ccc([C@H]2[C@@H](S(C)(=O)=O)[C@H]2[NH3+])cc1 ZINC000218452923 386256885 /nfs/dbraw/zinc/25/68/85/386256885.db2.gz AIPMMWQRUVROCI-GRYCIOLGSA-N 1 0 239.340 1.087 40 0 BDABRO COC(=O)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC000215438924 386356716 /nfs/dbraw/zinc/35/67/16/386356716.db2.gz AASKKLGNFGJCHU-RYUDHWBXSA-N 1 0 219.284 1.900 40 0 BDABRO Cc1cc(C)[n+](CCc2c[nH]cn2)c(C)c1 ZINC000006187776 386473047 /nfs/dbraw/zinc/47/30/47/386473047.db2.gz OTRDYFGWTSDQPE-UHFFFAOYSA-N 1 0 216.308 1.865 40 0 in-vitro BDABRO c1nc([C@@H]2C[NH2+]C[C@@H]2c2ccccc2)no1 ZINC000328579410 386527539 /nfs/dbraw/zinc/52/75/39/386527539.db2.gz GPPVTTRGQXJLER-GHMZBOCLSA-N 1 0 215.256 1.540 40 0 BDABRO O=C1c2cccc(F)c2CN1CC1CC[NH2+]CC1 ZINC000098213953 386582878 /nfs/dbraw/zinc/58/28/78/386582878.db2.gz WYWVVDQAUCROJH-UHFFFAOYSA-N 1 0 248.301 1.781 40 0 BDABRO COC(=O)C(=C/C=C/[NH2+]C(C)(C)C)C(=O)OC ZINC000238950242 386541866 /nfs/dbraw/zinc/54/18/66/386541866.db2.gz XHOOGCKBHZSVDL-UHFFFAOYSA-N 1 0 241.287 1.161 40 0 BDABRO c1ncn2c1C[NH2+]C[C@@H]2COCC1CCCC1 ZINC000247845272 386736014 /nfs/dbraw/zinc/73/60/14/386736014.db2.gz MJFNTAAACMWZTH-CYBMUJFWSA-N 1 0 235.331 1.734 40 0 BDABRO [NH3+]Cc1cc(N2CCCCCC2=O)ccn1 ZINC000521396039 386720955 /nfs/dbraw/zinc/72/09/55/386720955.db2.gz KCIBTPANAUMAMT-UHFFFAOYSA-N 1 0 219.288 1.447 40 0 BDABRO Fc1ccc2c(c1)[nH]nc2C1CC[NH2+]CC1 ZINC000329001315 386873143 /nfs/dbraw/zinc/87/31/43/386873143.db2.gz KDBPGMAKZWBGKL-JTQLQIEISA-N 1 0 219.263 1.836 40 0 BDABRO Fc1ccc2c(c1)[nH]nc2C1CC[NH2+]CC1 ZINC000329001317 386873772 /nfs/dbraw/zinc/87/37/72/386873772.db2.gz KDBPGMAKZWBGKL-SNVBAGLBSA-N 1 0 219.263 1.836 40 0 BDABRO CC(C)n1ncc2c1CC[C@H](C(N)=[NH2+])C2 ZINC000575424853 387045311 /nfs/dbraw/zinc/04/53/11/387045311.db2.gz PDUIPJUHQNZMJV-QMMMGPOBSA-N 1 0 206.293 1.505 40 0 BDABRO O=C1CCC2(CC[NH2+]CC2)N1Cc1ccncc1 ZINC000096228317 387021549 /nfs/dbraw/zinc/02/15/49/387021549.db2.gz SLAURHMSVVYALI-UHFFFAOYSA-N 1 0 245.326 1.326 40 0 BDABRO CC(C)Cn1cc(C[NH2+]CCCCO)cn1 ZINC000193253838 387851445 /nfs/dbraw/zinc/85/14/45/387851445.db2.gz WMKWYSMJDZCASE-UHFFFAOYSA-N 1 0 225.336 1.401 40 0 BDABRO CN[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000050269869 387955525 /nfs/dbraw/zinc/95/55/25/387955525.db2.gz RBMGQIGSLPNJAN-SECBINFHSA-N 1 0 247.111 1.807 40 0 BDABRO CN[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000050269850 387955656 /nfs/dbraw/zinc/95/56/56/387955656.db2.gz WPDPRPXAAYBHCN-VIFPVBQESA-N 1 0 229.121 1.668 40 0 BDABRO N[C@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC000034144295 388351732 /nfs/dbraw/zinc/35/17/32/388351732.db2.gz XXAYGJGDVLSEML-GFCCVEGCSA-N 1 0 236.315 1.186 40 0 BDABRO [NH3+]C[C@@H](O)COc1ccccc1Cl ZINC000008028847 388557053 /nfs/dbraw/zinc/55/70/53/388557053.db2.gz WCLUBNCSEAICDL-SSDOTTSWSA-N 1 0 201.653 1.038 40 0 BDABRO Cc1ccc(O[C@H]2C[C@@H]3C[NH2+]CCN3C2)cc1 ZINC000107243942 388615913 /nfs/dbraw/zinc/61/59/13/388615913.db2.gz HBGDTJGRCMSULY-OCCSQVGLSA-N 1 0 232.327 1.420 40 0 BDABRO Cc1ccc(N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC000096223701 388616192 /nfs/dbraw/zinc/61/61/92/388616192.db2.gz RQDDJTWDUQIPHR-DGCLKSJQSA-N 1 0 248.330 1.108 40 0 BDABRO [NH3+][C@H]1C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218005571 388575715 /nfs/dbraw/zinc/57/57/15/388575715.db2.gz AHCXSLUQKZFUNX-DTWKUNHWSA-N 1 0 231.704 1.213 40 0 BDABRO Clc1cnc(SC[C@@H]2CC[NH2+]C2)nc1 ZINC000091366405 388628661 /nfs/dbraw/zinc/62/86/61/388628661.db2.gz CAVLXDTVMQIMCL-SSDOTTSWSA-N 1 0 229.736 1.832 40 0 BDABRO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[NH2+]C2 ZINC000306135511 388628925 /nfs/dbraw/zinc/62/89/25/388628925.db2.gz OTOLNQUCYRAVFX-AWEZNQCLSA-N 1 0 248.301 1.538 40 0 BDABRO Clc1ncc(CO[C@H]2CC[NH2+]C2)s1 ZINC000072411055 388639805 /nfs/dbraw/zinc/63/98/05/388639805.db2.gz GJFOEJLJQUXOLU-LURJTMIESA-N 1 0 218.709 1.675 40 0 BDABRO CSc1ncc(C[NH2+]CCCCCO)cn1 ZINC000062717259 388656041 /nfs/dbraw/zinc/65/60/41/388656041.db2.gz LRAVGPBJRGAJMG-UHFFFAOYSA-N 1 0 241.360 1.451 40 0 BDABRO CNc1ncc(C[NH2+]Cc2cccnc2)cn1 ZINC000062717439 388656055 /nfs/dbraw/zinc/65/60/55/388656055.db2.gz INDUHWLFAGXBBA-UHFFFAOYSA-N 1 0 229.287 1.203 40 0 BDABRO C[NH2+]C1CCN(c2cc(NC3CC3)ncn2)CC1 ZINC000079439425 388695916 /nfs/dbraw/zinc/69/59/16/388695916.db2.gz NHFLJUKVOAXQJJ-UHFFFAOYSA-N 1 0 247.346 1.239 40 0 BDABRO CNc1cc(C)nc([C@H]2C[NH2+]CCO2)c1 ZINC000257342055 388697874 /nfs/dbraw/zinc/69/78/74/388697874.db2.gz ZMWVRWQHGJLVKL-LLVKDONJSA-N 1 0 207.277 1.093 40 0 BDABRO COc1ccc([C@@]2(C)C[NH2+]CCO2)cc1OC ZINC000011803687 388710181 /nfs/dbraw/zinc/71/01/81/388710181.db2.gz GMEUBMIBGGPSAL-CYBMUJFWSA-N 1 0 237.299 1.539 40 0 BDABRO C[N@@H+]1C[C@H](CO)[C@@H](c2ccccc2F)C1 ZINC000225608967 388838599 /nfs/dbraw/zinc/83/85/99/388838599.db2.gz XTRXJCILCOVILR-KOLCDFICSA-N 1 0 209.264 1.463 40 0 BDABRO Cc1nc(N2CC[NH2+]CC2)nc2c1CCCC2 ZINC000000010493 132308414 /nfs/dbraw/zinc/30/84/14/132308414.db2.gz ARRUGWFKUPFPBR-UHFFFAOYSA-N 1 0 232.331 1.073 40 0 BDABRO CC1=Nc2nc(N3CCCCC3)nc(N)c2C1=[NH2+] ZINC000013637624 132322117 /nfs/dbraw/zinc/32/21/17/132322117.db2.gz YTIBYCKZGCFGKA-UHFFFAOYSA-N 1 0 244.302 1.523 40 0 BDABRO c1c2c(nnc1N1CC[NH2+]CC1)CCCCC2 ZINC000096516134 132431906 /nfs/dbraw/zinc/43/19/06/132431906.db2.gz JZDKALZSFGYIPA-UHFFFAOYSA-N 1 0 232.331 1.155 40 0 BDABRO C[C@H]1Cc2nc(Br)sc2C[NH2+]1 ZINC000265540547 135145050 /nfs/dbraw/zinc/14/50/50/135145050.db2.gz DTIKEBYHANMUCT-BYPYZUCNSA-N 1 0 233.134 1.940 40 0 BDABRO CC[C@H](C)n1nccc1CNCCC[NH+](C)C ZINC000256049551 398040693 /nfs/dbraw/zinc/04/06/93/398040693.db2.gz AKHJHOUKXQTUJS-LBPRGKRZSA-N 1 0 238.379 1.895 40 0 BDABRO Cc1ccc(C)c(NC(=O)CN2CC[NH2+]CC2)c1 ZINC000023291842 397978585 /nfs/dbraw/zinc/97/85/85/397978585.db2.gz HOWWUKVDJJPWNM-UHFFFAOYSA-N 1 0 247.342 1.147 40 0 BDABRO Brc1cccnc1O[C@H]1CC[NH2+]C1 ZINC000051868694 166103149 /nfs/dbraw/zinc/10/31/49/166103149.db2.gz UOWDFHPJLSADJC-ZETCQYMHSA-N 1 0 243.104 1.585 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2[NH3+] ZINC000100133129 166656654 /nfs/dbraw/zinc/65/66/54/166656654.db2.gz DGXZHHKGGSODLS-BRPSZJMVSA-N 1 0 212.293 1.201 40 0 BDABRO CC(C)[NH2+]C[C@@H](O)c1ccc(O)c2ncccc12 ZINC000000000690 167111754 /nfs/dbraw/zinc/11/17/54/167111754.db2.gz RSDQHEMTUCMUPQ-CYBMUJFWSA-N 1 0 246.310 1.972 40 0 in-man BDABRO CC(C)[NH2+]Cc1cccc2c1OCCO2 ZINC000036167447 167118898 /nfs/dbraw/zinc/11/88/98/167118898.db2.gz DDMTTWDITOREMB-UHFFFAOYSA-N 1 0 207.273 1.956 40 0 BDABRO CC(C)[C@@H]([NH3+])Cn1nnc2ccccc21 ZINC000012186062 167423417 /nfs/dbraw/zinc/42/34/17/167423417.db2.gz CWFBOCYFGBSTSZ-VIFPVBQESA-N 1 0 204.277 1.415 40 0 BDABRO CCC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000017466966 168232223 /nfs/dbraw/zinc/23/22/23/168232223.db2.gz LDCQPTDRQJWLOD-RYUDHWBXSA-N 1 0 224.348 1.777 40 0 BDABRO CCNc1ccnc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000091351862 170175553 /nfs/dbraw/zinc/17/55/53/170175553.db2.gz WIESPNULHXJPJD-JTQLQIEISA-N 1 0 236.319 1.287 40 0 BDABRO CCOC(=O)C1=CNc2c(C)cccc2[C@@H]1[NH3+] ZINC000026896474 170192088 /nfs/dbraw/zinc/19/20/88/170192088.db2.gz QSWGVINRGHSDMI-NSHDSACASA-N 1 0 232.283 1.867 40 0 BDABRO CCOC(=O)C1[C@@H]2CCCC(=O)C2O[N+]1=O ZINC000102945003 170192548 /nfs/dbraw/zinc/19/25/48/170192548.db2.gz AQWYBGVONYNHMP-LURJTMIESA-N 1 0 227.216 1.016 40 0 BDABRO CCOCC[C@@H]1CCOC12CC[NH2+]CC2 ZINC000253386053 170427002 /nfs/dbraw/zinc/42/70/02/170427002.db2.gz VLFJRDNOTQJHQS-LLVKDONJSA-N 1 0 213.321 1.572 40 0 BDABRO COc1ccccc1Cc1cc(N)nc(C)n1 ZINC000575621986 411863975 /nfs/dbraw/zinc/86/39/75/411863975.db2.gz HOOZLBYQSTVNBC-UHFFFAOYSA-N 1 0 229.283 1.967 40 0 BDABRO CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000082370884 171067337 /nfs/dbraw/zinc/06/73/37/171067337.db2.gz ZFUJATNIGNCUKO-BDAKNGLRSA-N 1 0 214.309 1.591 40 0 BDABRO CC[C@H]([NH3+])Cn1nc(-c2cccs2)oc1=O ZINC000072389612 171487245 /nfs/dbraw/zinc/48/72/45/171487245.db2.gz NEUBFFVEKQJMCH-ZETCQYMHSA-N 1 0 239.300 1.302 40 0 BDABRO CCn1cc(C[N@@H+]2CCC[C@H](CO)C2)c(C)n1 ZINC000013568218 172164572 /nfs/dbraw/zinc/16/45/72/172164572.db2.gz PNEFHKBZMBIJTF-LBPRGKRZSA-N 1 0 237.347 1.416 40 0 BDABRO CCn1nc(C)c(C[NH2+]C[C@H]2CCCO2)c1F ZINC000256051773 172247113 /nfs/dbraw/zinc/24/71/13/172247113.db2.gz KLMXXJLPTNHEOA-SNVBAGLBSA-N 1 0 241.310 1.619 40 0 BDABRO CCn1ncc(C)c1CNCCC[NH+](C)C ZINC000256050674 172254670 /nfs/dbraw/zinc/25/46/70/172254670.db2.gz GCBUEYVYKFOFIG-UHFFFAOYSA-N 1 0 224.352 1.253 40 0 BDABRO CN(C(=O)OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000079437729 172325713 /nfs/dbraw/zinc/32/57/13/172325713.db2.gz UCJVXPOVNQBUKI-GFCCVEGCSA-N 1 0 234.299 1.617 40 0 BDABRO CN(C(=O)c1ccccc1)C1CC[NH2+]CC1 ZINC000036282842 172342170 /nfs/dbraw/zinc/34/21/70/172342170.db2.gz QJIVZURLHLXUMO-UHFFFAOYSA-N 1 0 218.300 1.511 40 0 BDABRO C[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC000096261179 173003091 /nfs/dbraw/zinc/00/30/91/173003091.db2.gz PPAFTCIZBGQJOF-ZDUSSCGKSA-N 1 0 244.338 1.755 40 0 BDABRO C[N@@H+]1CCC[C@@H](c2nccnc2-n2ccnc2)C1 ZINC000072350491 173023661 /nfs/dbraw/zinc/02/36/61/173023661.db2.gz FYLHNAPUXRZQEA-LLVKDONJSA-N 1 0 243.314 1.472 40 0 BDABRO C[N@@H+]1CCC[C@H](C(=O)NC2CCCC2)C1 ZINC000082300915 173039850 /nfs/dbraw/zinc/03/98/50/173039850.db2.gz DKYFMUSEJJXKKZ-JTQLQIEISA-N 1 0 210.321 1.387 40 0 BDABRO CN1CCC[C@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000022788813 173059596 /nfs/dbraw/zinc/05/95/96/173059596.db2.gz DRIGFTUOAYXPIK-KBPBESRZSA-N 1 0 216.328 1.968 40 0 BDABRO CN(C)c1cc(C[C@@H]2CC[N@H+](C)C2)ncn1 ZINC000072381293 173118070 /nfs/dbraw/zinc/11/80/70/173118070.db2.gz VBTISXPZWRQJSQ-JTQLQIEISA-N 1 0 220.320 1.037 40 0 BDABRO Cn1cc2[nH]c([C@@H]3CCC[NH2+]3)ccc-2c1=O ZINC000257197469 173201708 /nfs/dbraw/zinc/20/17/08/173201708.db2.gz AHQGQLZLXQBFRD-VIFPVBQESA-N 1 0 217.272 1.092 40 0 BDABRO CNc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329045458 173208418 /nfs/dbraw/zinc/20/84/18/173208418.db2.gz TVIUTAFNYSUDGG-UHFFFAOYSA-N 1 0 232.331 1.594 40 0 BDABRO CNC(=O)[C@@H](C)[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000134810456 173295728 /nfs/dbraw/zinc/29/57/28/173295728.db2.gz GNWSGTHKHNIYGI-YTWAJWBKSA-N 1 0 212.337 1.535 40 0 BDABRO C[NH2+]CC(=O)N1CCCC[C@@H]1c1nccc(C)n1 ZINC000072383409 173326980 /nfs/dbraw/zinc/32/69/80/173326980.db2.gz RGOAKWVHNHHOAO-LLVKDONJSA-N 1 0 248.330 1.058 40 0 BDABRO C[NH2+]C[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000035225629 173364862 /nfs/dbraw/zinc/36/48/62/173364862.db2.gz HNXYRQIWABISIU-JTQLQIEISA-N 1 0 203.289 1.257 40 0 BDABRO C[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000037389307 173386502 /nfs/dbraw/zinc/38/65/02/173386502.db2.gz MULFLRRBULVCNR-UHFFFAOYSA-N 1 0 209.245 1.186 40 0 BDABRO C[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000076790280 173391472 /nfs/dbraw/zinc/39/14/72/173391472.db2.gz HICCXPRSEMBALE-UHFFFAOYSA-N 1 0 240.104 1.816 40 0 BDABRO COC(=O)Cc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000014631771 173640889 /nfs/dbraw/zinc/64/08/89/173640889.db2.gz ASHDJFPAZKPJAL-ZDUSSCGKSA-N 1 0 249.310 1.533 40 0 BDABRO COC1CCC(NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000079392070 174022240 /nfs/dbraw/zinc/02/22/40/174022240.db2.gz BJSKHHOJYYYDPM-ILDUYXDCSA-N 1 0 228.336 1.044 40 0 BDABRO COCC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013425059 174062272 /nfs/dbraw/zinc/06/22/72/174062272.db2.gz HFNRVGNQFRTRRF-RYUDHWBXSA-N 1 0 241.331 1.441 40 0 BDABRO COCCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000163968694 174248003 /nfs/dbraw/zinc/24/80/03/174248003.db2.gz ATBGFNBRMARSKE-UHFFFAOYSA-N 1 0 211.309 1.590 40 0 BDABRO COCC[NH2+]CCOc1cc(C)cc(C)c1 ZINC000041242695 174333478 /nfs/dbraw/zinc/33/34/78/174333478.db2.gz XWANOPFKWPJSNM-UHFFFAOYSA-N 1 0 223.316 1.918 40 0 BDABRO COc1ccc(C2(O)CC[NH+](C)CC2)cc1F ZINC000055261607 175084312 /nfs/dbraw/zinc/08/43/12/175084312.db2.gz RNOKTNVYEMYLIF-UHFFFAOYSA-N 1 0 239.290 1.748 40 0 BDABRO COc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000038538918 175102801 /nfs/dbraw/zinc/10/28/01/175102801.db2.gz LXOQGOMPHHZUHZ-JTQLQIEISA-N 1 0 225.263 1.401 40 0 BDABRO COc1ccc(N[C@@H]2CCC[C@H]2[NH3+])c(OC)c1 ZINC000218877254 175154010 /nfs/dbraw/zinc/15/40/10/175154010.db2.gz IBZZGXWTOISVDD-GHMZBOCLSA-N 1 0 236.315 1.996 40 0 BDABRO COc1ccc(OC)c([C@@H]2C[C@H]2C[NH3+])c1 ZINC000041215837 175167948 /nfs/dbraw/zinc/16/79/48/175167948.db2.gz VDXXDEUJMOZAFE-WCBMZHEXSA-N 1 0 207.273 1.766 40 0 BDABRO COc1ccc([C@H]2CN(C)[C@@H]3CCC[NH2+][C@@H]32)cc1 ZINC000257201049 175196069 /nfs/dbraw/zinc/19/60/69/175196069.db2.gz AFZABOLGCUAUMB-RBSFLKMASA-N 1 0 246.354 1.845 40 0 BDABRO COc1ccc2c(c1)C(=O)N[C@@]1(CC[NH2+]C1)CC2 ZINC000019562086 175206387 /nfs/dbraw/zinc/20/63/87/175206387.db2.gz NOJSRUACDYFIDQ-CQSZACIVSA-N 1 0 246.310 1.103 40 0 BDABRO COc1ccc2c(c1)CC[C@@]21COCC[NH2+]1 ZINC000306145561 175210070 /nfs/dbraw/zinc/21/00/70/175210070.db2.gz IPJPYLAJSOBXOX-CYBMUJFWSA-N 1 0 219.284 1.457 40 0 BDABRO COc1ccc2c(c1)C[C@H](CC[NH3+])C(=O)N2 ZINC000011982893 175210430 /nfs/dbraw/zinc/21/04/30/175210430.db2.gz MPEDRNOBJCJUCH-QMMMGPOBSA-N 1 0 220.272 1.155 40 0 BDABRO COc1cccc(OCC[NH2+]CCN(C)C)c1 ZINC000041280558 175283450 /nfs/dbraw/zinc/28/34/50/175283450.db2.gz UERUBWUIDMYIHC-UHFFFAOYSA-N 1 0 238.331 1.225 40 0 BDABRO COc1ccccc1C1([NH3+])CCOCC1 ZINC000011833942 175321014 /nfs/dbraw/zinc/32/10/14/175321014.db2.gz XMNMLOSMBYLLOR-UHFFFAOYSA-N 1 0 207.273 1.660 40 0 BDABRO COc1ccccc1N[C@@H]1CCC[C@H]1[NH3+] ZINC000218875920 175338506 /nfs/dbraw/zinc/33/85/06/175338506.db2.gz UKTIJZJXZYPQDB-NXEZZACHSA-N 1 0 206.289 1.987 40 0 BDABRO COc1ccccc1[C@@H]1CCCN1CC[NH3+] ZINC000032553272 175349020 /nfs/dbraw/zinc/34/90/20/175349020.db2.gz GSHJKQGKUVWUDF-LBPRGKRZSA-N 1 0 220.316 1.791 40 0 BDABRO C[C@@H]([NH3+])c1ccc(Br)nc1 ZINC000044138906 175816765 /nfs/dbraw/zinc/81/67/65/175816765.db2.gz COGGCXWSBTVYEV-RXMQYKEDSA-N 1 0 201.067 1.864 40 0 BDABRO C[C@@H]1C(=O)NC[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000096066493 176047682 /nfs/dbraw/zinc/04/76/82/176047682.db2.gz IFQRIBJSXWFCSE-NHCYSSNCSA-N 1 0 234.299 1.094 40 0 BDABRO C[C@@H]1CCCC[N@@H+]1Cc1cc(N)n(C)n1 ZINC000058083855 176073089 /nfs/dbraw/zinc/07/30/89/176073089.db2.gz FAUBRMXALMACSJ-SECBINFHSA-N 1 0 208.309 1.377 40 0 BDABRO C[C@@H]1CN(Cc2ccccc2F)CC[NH2+]1 ZINC000071511154 176307209 /nfs/dbraw/zinc/30/72/09/176307209.db2.gz UONVHGUETUAYJV-SNVBAGLBSA-N 1 0 208.280 1.619 40 0 BDABRO C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000005929446 176989533 /nfs/dbraw/zinc/98/95/33/176989533.db2.gz OQNIURKXRFUXHH-JTQLQIEISA-N 1 0 220.316 1.515 40 0 BDABRO C[C@H]([C@@H]([NH3+])c1ccc(Cl)cc1)S(C)(=O)=O ZINC000075418383 177031018 /nfs/dbraw/zinc/03/10/18/177031018.db2.gz PLCMMWZDOGFYIG-GMSGAONNSA-N 1 0 247.747 1.773 40 0 BDABRO C[C@H](c1ccccn1)[NH+]1CCC(O)CC1 ZINC000072203933 177043982 /nfs/dbraw/zinc/04/39/82/177043982.db2.gz IUVAEXQMFRVBLP-SNVBAGLBSA-N 1 0 206.289 1.599 40 0 BDABRO C[C@H](c1cnccn1)N1CCC[C@@H](C[NH3+])C1 ZINC000100438428 177051336 /nfs/dbraw/zinc/05/13/36/177051336.db2.gz HIOUSJAYXATCKX-MNOVXSKESA-N 1 0 220.320 1.208 40 0 BDABRO C[C@H](c1nccs1)N(C(=O)C[NH3+])C1CC1 ZINC000079436254 177053942 /nfs/dbraw/zinc/05/39/42/177053942.db2.gz CRVSIOGQYHTTNA-SSDOTTSWSA-N 1 0 225.317 1.154 40 0 BDABRO C[C@H]1CCCN(C(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000020597488 177091832 /nfs/dbraw/zinc/09/18/32/177091832.db2.gz IBOQKOXRFNFTOA-RYUDHWBXSA-N 1 0 224.348 1.777 40 0 BDABRO C[C@@H]1CCC[C@H](C)[N@H+]1CCS(C)(=O)=O ZINC000001662145 177117681 /nfs/dbraw/zinc/11/76/81/177117681.db2.gz QDDWZQDPYLIPRD-AOOOYVTPSA-N 1 0 219.350 1.294 40 0 BDABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccn1 ZINC000072397523 177280430 /nfs/dbraw/zinc/28/04/30/177280430.db2.gz FYKVCSDPYMFQBU-JSGCOSHPSA-N 1 0 231.343 1.750 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)c1cc(F)cc(F)c1 ZINC000054369817 177283607 /nfs/dbraw/zinc/28/36/07/177283607.db2.gz GBCJXXGBRATULZ-QMMMGPOBSA-N 1 0 240.253 1.399 40 0 BDABRO C[C@H]1CS(=O)(=O)c2ccccc2[C@@H]1[NH3+] ZINC000035755631 177302943 /nfs/dbraw/zinc/30/29/43/177302943.db2.gz NKQDYSFBXSCBFA-OIBJUYFYSA-N 1 0 211.286 1.110 40 0 BDABRO C[C@H]1Cc2ccccc2N1C(=O)CSC(N)=[NH2+] ZINC000029334369 177389918 /nfs/dbraw/zinc/38/99/18/177389918.db2.gz ZMISGTPMNQBRQS-QMMMGPOBSA-N 1 0 249.339 1.591 40 0 BDABRO CNC(=O)C[C@H](c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000072208316 262722006 /nfs/dbraw/zinc/72/20/06/262722006.db2.gz UHWOETRDJGJSHV-OLZOCXBDSA-N 1 0 232.327 1.658 40 0 BDABRO COc1nn(C)c2ccc(SCC[NH3+])cc12 ZINC000225774480 525089417 /nfs/dbraw/zinc/08/94/17/525089417.db2.gz QGMSSPSJMNPQML-UHFFFAOYSA-N 1 0 237.328 1.633 40 0 BDABRO [NH3+]C[C@H](O)CNc1ccccc1Cl ZINC000005898695 490044754 /nfs/dbraw/zinc/04/47/54/490044754.db2.gz ATVFUOPSKDWUKW-ZETCQYMHSA-N 1 0 200.669 1.072 40 0 BDABRO Cc1cccc(N(CCO)CCC[NH3+])c1 ZINC000034959892 524526166 /nfs/dbraw/zinc/52/61/66/524526166.db2.gz APINUFYSOZLKDD-UHFFFAOYSA-N 1 0 208.305 1.143 40 0 BDABRO C[C@H]1[C@@H]([NH3+])C(=O)N1c1cccc(Cl)c1 ZINC000225776453 525087835 /nfs/dbraw/zinc/08/78/35/525087835.db2.gz JJYBUGWEEYVSCD-IMTBSYHQSA-N 1 0 210.664 1.402 40 0 BDABRO C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@H]([NH3+])[C@H]21 ZINC000242687334 525157758 /nfs/dbraw/zinc/15/77/58/525157758.db2.gz UFRGULWDRREEHF-SYHAXYEDSA-N 1 0 223.238 1.937 40 0 BDABRO C[C@@H]1[C@H]([NH3+])C(=O)N1c1ccc(Cl)cc1 ZINC000225776369 525699383 /nfs/dbraw/zinc/69/93/83/525699383.db2.gz AJYLZROFYYOHFL-MUWHJKNJSA-N 1 0 210.664 1.402 40 0 BDABRO Cc1c(I)cc[nH+]c1NN ZINC000199545207 525815007 /nfs/dbraw/zinc/81/50/07/525815007.db2.gz LREDNLYYPMVVDL-UHFFFAOYSA-N 1 0 249.055 1.280 40 0 BDABRO C[NH2+][C@H]1CCCN(c2ncc(C)c(Cl)n2)C1 ZINC000072203546 536415598 /nfs/dbraw/zinc/41/55/98/536415598.db2.gz HUZJRAXNHHTFKT-VIFPVBQESA-N 1 0 240.738 1.627 40 0 BDABRO COC(=O)c1ccccc1N1CC[NH2+][C@@H](C)C1 ZINC000039952497 536818851 /nfs/dbraw/zinc/81/88/51/536818851.db2.gz ZTDQGCYWRDUEKR-JTQLQIEISA-N 1 0 234.299 1.271 40 0 BDABRO CCOCC[N@@H+]1C[C@@H](O)C[C@@H]1C(C)C ZINC000217883757 584911618 /nfs/dbraw/zinc/91/16/18/584911618.db2.gz SYFIHBZJMLYIOZ-WDEREUQCSA-N 1 0 201.310 1.114 40 0 BDABRO OC[C@@H](c1ccncc1)[NH+]1CCCCC1 ZINC000070453192 632575291 /nfs/dbraw/zinc/57/52/91/632575291.db2.gz ZQXFJONVNAPASU-LBPRGKRZSA-N 1 0 206.289 1.601 40 0 BDABRO CC(C)C[N@@H+]1CCCC[C@H]1c1nncn1C ZINC000072383184 343980096 /nfs/dbraw/zinc/98/00/96/343980096.db2.gz JQFARRMAJBSLHV-NSHDSACASA-N 1 0 222.336 1.998 40 0 BDABRO CC(C)C[N@@H+]1CC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000072361125 343980120 /nfs/dbraw/zinc/98/01/20/343980120.db2.gz OLZITVLWKIMNMW-SNVBAGLBSA-N 1 0 245.330 1.798 40 0 BDABRO Cc1cc(NN)[nH+]c(-c2ccccc2)n1 ZINC000008731080 178177620 /nfs/dbraw/zinc/17/76/20/178177620.db2.gz OHGUDCJFELKUIV-UHFFFAOYSA-N 1 0 200.245 1.738 40 0 BDABRO CCC(CC)CN1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC000096049050 168352829 /nfs/dbraw/zinc/35/28/29/168352829.db2.gz BCNQZMCUIPDWNB-CQSZACIVSA-N 1 0 240.391 1.877 40 0 BDABRO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(O)C[NH3+] ZINC000072207878 259315243 /nfs/dbraw/zinc/31/52/43/259315243.db2.gz ILMUDZBRIUTWHX-SKDRFNHKSA-N 1 0 246.351 1.245 40 0 BDABRO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](C)(O)C[NH3+] ZINC000072207875 259315310 /nfs/dbraw/zinc/31/53/10/259315310.db2.gz ILMUDZBRIUTWHX-JOYOIKCWSA-N 1 0 246.351 1.245 40 0 BDABRO Cc1ccc(NC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000001564633 342703188 /nfs/dbraw/zinc/70/31/88/342703188.db2.gz PWRKHYDMMOLPMK-CQSZACIVSA-N 1 0 234.343 1.864 40 0 BDABRO C[n+]1cccn1CC(=O)c1ccccc1 ZINC000001718933 342711179 /nfs/dbraw/zinc/71/11/79/342711179.db2.gz BABNDPOMKWNVPY-UHFFFAOYSA-N 1 0 201.249 1.196 40 0 BDABRO CC[NH+](CC)CC(=O)Nc1cccc(N)c1C ZINC000008703592 342803038 /nfs/dbraw/zinc/80/30/38/342803038.db2.gz IHEQIVCZQGDUOI-UHFFFAOYSA-N 1 0 235.331 1.858 40 0 BDABRO CCCc1ccc(OC[C@@H](O)C[NH3+])cc1 ZINC000008028885 342795764 /nfs/dbraw/zinc/79/57/64/342795764.db2.gz IFHOFCAGQXGAOM-NSHDSACASA-N 1 0 209.289 1.338 40 0 BDABRO CC(C)[C@H]([NH3+])c1nc2cccnc2n1C ZINC000075854271 259322663 /nfs/dbraw/zinc/32/26/63/259322663.db2.gz LRPRBPDQVDRYBR-VIFPVBQESA-N 1 0 204.277 1.624 40 0 BDABRO c1cn2c(n1)CO[C@@H](C[NH2+]Cc1ccccc1)C2 ZINC000096296261 398317293 /nfs/dbraw/zinc/31/72/93/398317293.db2.gz KVQSOMWEVVOENB-ZDUSSCGKSA-N 1 0 243.310 1.572 40 0 biogenic,in-vitro BDABRO CCOc1ccc([C@@H]2CN(C)C[C@@H]2[NH3+])cc1 ZINC000217662345 398322948 /nfs/dbraw/zinc/32/29/48/398322948.db2.gz GQILZPOUUGGDAF-STQMWFEESA-N 1 0 220.316 1.442 40 0 BDABRO CC(=O)N1CCC[C@@H]([NH3+])[C@@H]1c1ccccc1F ZINC000019017784 342941020 /nfs/dbraw/zinc/94/10/20/342941020.db2.gz OMDKAZJXDJDKHC-OLZOCXBDSA-N 1 0 236.290 1.836 40 0 BDABRO c1ncc(N2CC[C@]3(C[C@H]4CC[N@@H+]3C4)C2)cn1 ZINC000079042121 119105547 /nfs/dbraw/zinc/10/55/47/119105547.db2.gz BXEURBYMVKGZGC-YPMHNXCESA-N 1 0 230.315 1.151 40 0 BDABRO CCCc1ncc(C[N@@H+]2CC[C@H](CO)C2)cn1 ZINC000019525728 342950841 /nfs/dbraw/zinc/95/08/41/342950841.db2.gz BXSKCKBJWTZMIM-NSHDSACASA-N 1 0 235.331 1.243 40 0 BDABRO CC(C)(C)OC[C@H](O)C[NH2+]Cc1ccccc1 ZINC000026897792 343110791 /nfs/dbraw/zinc/11/07/91/343110791.db2.gz RLYIKVIRRBFAIG-CYBMUJFWSA-N 1 0 237.343 1.952 40 0 BDABRO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(O)cc1 ZINC000259603713 343135305 /nfs/dbraw/zinc/13/53/05/343135305.db2.gz FLAIGAZHHHCSDP-RYUDHWBXSA-N 1 0 235.283 1.258 40 0 BDABRO Cc1ccc(N2CC[NH+](C)CC2)cc1N ZINC000032010579 343228116 /nfs/dbraw/zinc/22/81/16/343228116.db2.gz FCMGLBKFHTXSER-UHFFFAOYSA-N 1 0 205.305 1.329 40 0 BDABRO O=C(c1cccs1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000033426514 343253956 /nfs/dbraw/zinc/25/39/56/343253956.db2.gz BROUBNXQQQIFHE-LBPRGKRZSA-N 1 0 236.340 1.574 40 0 BDABRO COC(=O)[C@@H](C)C[NH2+]CCc1ccc(F)cc1 ZINC000035133324 343285753 /nfs/dbraw/zinc/28/57/53/343285753.db2.gz JPYNXUPDLHHRRX-JTQLQIEISA-N 1 0 239.290 1.767 40 0 BDABRO Cc1ccc(CN(C(=O)C[NH3+])C2CC2)cc1 ZINC000032013292 343290265 /nfs/dbraw/zinc/29/02/65/343290265.db2.gz WFTLKLIPSFPXEP-UHFFFAOYSA-N 1 0 218.300 1.445 40 0 BDABRO C[C@H]([NH3+])C(=O)N(Cc1ccsc1)C1CC1 ZINC000040492088 343319687 /nfs/dbraw/zinc/31/96/87/343319687.db2.gz GEYGBINJHMYAGS-QMMMGPOBSA-N 1 0 224.329 1.586 40 0 BDABRO COC(=O)C[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000035748013 343303509 /nfs/dbraw/zinc/30/35/09/343303509.db2.gz IQXWTNLRCXSYSS-JTQLQIEISA-N 1 0 237.299 1.736 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccccn1)C(C)C ZINC000037817113 343313418 /nfs/dbraw/zinc/31/34/18/343313418.db2.gz HZQCYUDEEXFWBS-ZDUSSCGKSA-N 1 0 249.358 1.802 40 0 BDABRO C[C@@H](CN1CC[NH2+]CC1)c1ccccc1 ZINC000040240930 343399062 /nfs/dbraw/zinc/39/90/62/343399062.db2.gz UTXHKQAZYGRDBA-LBPRGKRZSA-N 1 0 204.317 1.695 40 0 BDABRO CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)[NH3+] ZINC000079420288 343400652 /nfs/dbraw/zinc/40/06/52/343400652.db2.gz FHRUBQMTCXDQQH-VIFPVBQESA-N 1 0 224.279 1.521 40 0 BDABRO CC[N@H+](Cc1ccccc1)[C@@H]1CCN(CCO)C1 ZINC000079414165 343400775 /nfs/dbraw/zinc/40/07/75/343400775.db2.gz VGMOOKQYMFPMTM-OAHLLOKOSA-N 1 0 248.370 1.575 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH3+])[C@@H](F)C1 ZINC000217553043 343588674 /nfs/dbraw/zinc/58/86/74/343588674.db2.gz JEOYTRTYHMXANL-UWVGGRQHSA-N 1 0 246.326 1.930 40 0 BDABRO CSc1nc(C)c(C[NH+]2CCCC2)c(=O)[nH]1 ZINC000062701949 343744394 /nfs/dbraw/zinc/74/43/94/343744394.db2.gz AQQIKMXFLXRMIO-UHFFFAOYSA-N 1 0 239.344 1.396 40 0 BDABRO CC[NH2+][C@@H]1C(C)=N[C@@H]2C[C@H](C(=O)OC)CC[C@H]21 ZINC000247963392 343721276 /nfs/dbraw/zinc/72/12/76/343721276.db2.gz PLYJHDWWKOTOCG-DDHJBXDOSA-N 1 0 238.331 1.397 40 0 BDABRO CN[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000050269831 259370045 /nfs/dbraw/zinc/37/00/45/259370045.db2.gz RLWOABABNDOCBI-SECBINFHSA-N 1 0 218.222 1.925 40 0 BDABRO CCN(Cc1cn(CC)nc1C)C[C@@H](C)[NH3+] ZINC000096523898 343758608 /nfs/dbraw/zinc/75/86/08/343758608.db2.gz ZMGIJVHYNRRDHE-SNVBAGLBSA-N 1 0 224.352 1.381 40 0 BDABRO CCN1CCC[C@H]1C[NH2+]C[C@@H](C)OC ZINC000096528817 343758904 /nfs/dbraw/zinc/75/89/04/343758904.db2.gz HCLGTEXDRCIUDH-MNOVXSKESA-N 1 0 200.326 1.095 40 0 BDABRO CC[C@@H]([C@@H]([NH3+])c1cccc(N)c1)S(C)(=O)=O ZINC000096524881 343758950 /nfs/dbraw/zinc/75/89/50/343758950.db2.gz KGHKWRCDTXOYRN-QWRGUYRKSA-N 1 0 242.344 1.092 40 0 BDABRO CC[NH+]1CCC(Oc2ccncc2N)CC1 ZINC000096526683 343760074 /nfs/dbraw/zinc/76/00/74/343760074.db2.gz WYFFINQNQBWRGJ-UHFFFAOYSA-N 1 0 221.304 1.527 40 0 BDABRO Cc1ncc(CO)c(C[NH+]2CCCC2)c1O ZINC000134756173 343788347 /nfs/dbraw/zinc/78/83/47/343788347.db2.gz MICXYWVPEZVXCP-UHFFFAOYSA-N 1 0 222.288 1.184 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000229205862 343793717 /nfs/dbraw/zinc/79/37/17/343793717.db2.gz OTUWIMKVPNIHSG-GHMZBOCLSA-N 1 0 211.305 1.575 40 0 BDABRO Nc1cccnc1N1CC[NH+](C2CCC2)CC1 ZINC000378685138 343795331 /nfs/dbraw/zinc/79/53/31/343795331.db2.gz VKWDZRZRVCWNPH-UHFFFAOYSA-N 1 0 232.331 1.338 40 0 BDABRO Cc1ccc([C@H]2C[NH2+]C[C@H]2CO)c(Cl)c1 ZINC000409423329 343815214 /nfs/dbraw/zinc/81/52/14/343815214.db2.gz PVACWABOXZEMMN-ONGXEEELSA-N 1 0 225.719 1.944 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1sccc1C ZINC000396830341 343810835 /nfs/dbraw/zinc/81/08/35/343810835.db2.gz RHBJKDNSPWPFRO-IUCAKERBSA-N 1 0 225.313 1.533 40 0 BDABRO CCOCCn1cc(CCC[NH2+]C)cn1 ZINC000575623229 343875742 /nfs/dbraw/zinc/87/57/42/343875742.db2.gz ALRYFPYZZKAKDE-UHFFFAOYSA-N 1 0 211.309 1.072 40 0 BDABRO c1nn(C[C@H]2CCCOC2)cc1C1CC[NH2+]CC1 ZINC000575623538 343876970 /nfs/dbraw/zinc/87/69/70/343876970.db2.gz YPDWYJBIMFRNDJ-GFCCVEGCSA-N 1 0 249.358 1.777 40 0 BDABRO Cc1nc(C)c(COCC2C[NH2+]C2)s1 ZINC000585144289 343879678 /nfs/dbraw/zinc/87/96/78/343879678.db2.gz IZZLLMPNYFHGSX-UHFFFAOYSA-N 1 0 212.318 1.496 40 0 BDABRO C[C@H](CC[NH3+])n1nc(-c2ccsc2)ccc1=O ZINC000575622099 343868559 /nfs/dbraw/zinc/86/85/59/343868559.db2.gz DWCVXECOTHMKTF-SECBINFHSA-N 1 0 249.339 1.882 40 0 BDABRO C[C@@H](CC[NH3+])n1nc(-c2ccco2)ccc1=O ZINC000575622337 343869071 /nfs/dbraw/zinc/86/90/71/343869071.db2.gz IWSRXHLWKASGBS-VIFPVBQESA-N 1 0 233.271 1.413 40 0 BDABRO C[C@@H](CC[NH3+])n1nc(-c2cccs2)ccc1=O ZINC000575622301 343869200 /nfs/dbraw/zinc/86/92/00/343869200.db2.gz HLSPQOOSOOBPCE-VIFPVBQESA-N 1 0 249.339 1.882 40 0 BDABRO Cn1cnc2c1C[C@H](CO)[N@@H+](C1CCCC1)C2 ZINC000585095019 344129664 /nfs/dbraw/zinc/12/96/64/344129664.db2.gz ZZCNJRIQESYXOS-LLVKDONJSA-N 1 0 235.331 1.082 40 0 BDABRO c1c[nH]c(-c2nccnc2C[C@@H]2CC[NH2+]C2)n1 ZINC000585178891 344276286 /nfs/dbraw/zinc/27/62/86/344276286.db2.gz CYMRNCLNZVMJKC-VIFPVBQESA-N 1 0 229.287 1.019 40 0 BDABRO c1ncc2nc([C@H]3CCCC[NH2+]3)[nH]c2n1 ZINC000084252544 344409443 /nfs/dbraw/zinc/40/94/43/344409443.db2.gz UIWWWFQILXJOCS-SSDOTTSWSA-N 1 0 203.249 1.168 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc2c(c1)CCO2 ZINC000166459896 344901011 /nfs/dbraw/zinc/90/10/11/344901011.db2.gz FPVCKVJIKXWQKN-NWDGAFQWSA-N 1 0 247.294 1.098 40 0 BDABRO Cc1sc2ccc(C)cc2[n+]1CCO ZINC000000369949 345432668 /nfs/dbraw/zinc/43/26/68/345432668.db2.gz JDZUYRYEDVEBQS-UHFFFAOYSA-N 1 0 208.306 1.798 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccccc1F ZINC000067173318 345716388 /nfs/dbraw/zinc/71/63/88/345716388.db2.gz PHKQMBKXMIDZOI-UWVGGRQHSA-N 1 0 223.247 1.302 40 0 BDABRO Cc1cccc(C)c1-n1cnc(C[NH3+])c1 ZINC000082531499 179029350 /nfs/dbraw/zinc/02/93/50/179029350.db2.gz KUBCEFWOPXFFBE-UHFFFAOYSA-N 1 0 201.273 1.948 40 0 BDABRO Cc1cccc(CN2CC[C@@]3(CC[NH2+]C3)C2=O)c1 ZINC000306138245 179083096 /nfs/dbraw/zinc/08/30/96/179083096.db2.gz RTERYOZKBCSMMW-OAHLLOKOSA-N 1 0 244.338 1.707 40 0 BDABRO CN([NH2+]c1ccnc(=O)[nH]1)c1ccccc1 ZINC000001591250 346450484 /nfs/dbraw/zinc/45/04/84/346450484.db2.gz IFUTYRDCYGGIHA-UHFFFAOYSA-N 1 0 216.244 1.233 40 0 BDABRO CC[NH+](CC)CC(=O)Nc1ccc(N)c(C)c1 ZINC000008703602 346563384 /nfs/dbraw/zinc/56/33/84/346563384.db2.gz COUVCLHYGDKDJQ-UHFFFAOYSA-N 1 0 235.331 1.858 40 0 BDABRO Cc1cccc(OC[C@H](O)C[NH2+]CC(C)C)c1 ZINC000026781810 179170777 /nfs/dbraw/zinc/17/07/77/179170777.db2.gz GOLRMULURISJFO-CYBMUJFWSA-N 1 0 237.343 1.980 40 0 BDABRO Cc1cccc(S(=O)(=O)C2CC[NH2+]CC2)c1 ZINC000071549654 179176219 /nfs/dbraw/zinc/17/62/19/179176219.db2.gz JTWUKNMAYUAVCA-UHFFFAOYSA-N 1 0 239.340 1.521 40 0 BDABRO Cc1cccc([C@@H]([NH3+])CS(C)(=O)=O)c1 ZINC000052788788 179184399 /nfs/dbraw/zinc/18/43/99/179184399.db2.gz SEJALHPNOYJDIS-JTQLQIEISA-N 1 0 213.302 1.039 40 0 BDABRO Cc1cccc([C@@H](O)C2(C[NH3+])CCOCC2)c1 ZINC000085395885 179186347 /nfs/dbraw/zinc/18/63/47/179186347.db2.gz HUHGIBXTPKRYDI-CYBMUJFWSA-N 1 0 235.327 1.784 40 0 BDABRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1[NH3+] ZINC000097759070 347285588 /nfs/dbraw/zinc/28/55/88/347285588.db2.gz JJWSEQIPGLDBOO-ZJUUUORDSA-N 1 0 228.336 1.981 40 0 BDABRO Cc1cccc([C@]2(C(=O)N(C)C)CCC[NH2+]2)n1 ZINC000072344393 179205455 /nfs/dbraw/zinc/20/54/55/179205455.db2.gz XIWUEVSGFWJUNY-ZDUSSCGKSA-N 1 0 233.315 1.057 40 0 BDABRO O=C(c1cc(F)cc(F)c1)N1CCC[NH2+]CC1 ZINC000019394804 347516836 /nfs/dbraw/zinc/51/68/36/347516836.db2.gz RXCBYVKGQFQBHX-UHFFFAOYSA-N 1 0 240.253 1.400 40 0 BDABRO Cc1ccccc1NC1=NC(C)(C)NC(=[NH2+])N1 ZINC000000203665 179305150 /nfs/dbraw/zinc/30/51/50/179305150.db2.gz BSBZXWIQLSREJM-UHFFFAOYSA-N 1 0 231.303 1.417 40 0 BDABRO Cc1ccccc1[C@H](O)C1(C[NH3+])CCOCC1 ZINC000085395887 179345729 /nfs/dbraw/zinc/34/57/29/179345729.db2.gz MAAVPRROGNOKHH-ZDUSSCGKSA-N 1 0 235.327 1.784 40 0 BDABRO [NH3+][C@H](Cc1ccccc1)CN1CCSCC1 ZINC000020257465 259403158 /nfs/dbraw/zinc/40/31/58/259403158.db2.gz LOAVXSJBCMTOHM-CYBMUJFWSA-N 1 0 236.384 1.605 40 0 BDABRO OC1(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)CCCCC1 ZINC000205689650 348576038 /nfs/dbraw/zinc/57/60/38/348576038.db2.gz GBJQDNYBYWBUBT-GFCCVEGCSA-N 1 0 249.358 1.894 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000038539569 348702720 /nfs/dbraw/zinc/70/27/20/348702720.db2.gz DSUSIOJENOJXAX-SNVBAGLBSA-N 1 0 226.270 1.888 40 0 BDABRO COc1ccc(C[NH+]2CCC(O)CC2)cc1F ZINC000038539715 348703970 /nfs/dbraw/zinc/70/39/70/348703970.db2.gz MGHBAHWMPMXLPC-UHFFFAOYSA-N 1 0 239.290 1.791 40 0 BDABRO [NH3+][C@H](CO)Cc1ccc(Br)cc1 ZINC000020268094 349256897 /nfs/dbraw/zinc/25/68/97/349256897.db2.gz PDIQXFYHTBMZHQ-VIFPVBQESA-N 1 0 230.105 1.311 40 0 BDABRO Cc1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]32)o1 ZINC000306122982 538043336 /nfs/dbraw/zinc/04/33/36/538043336.db2.gz ABJAVNLLEHJMQZ-NEPJUHHUSA-N 1 0 206.289 1.524 40 0 BDABRO Cc1nc([C@@H]2CCC[NH2+]C2)sc1C(N)=O ZINC000328579754 180044754 /nfs/dbraw/zinc/04/47/54/180044754.db2.gz ZSNLDZSONAQNIX-SSDOTTSWSA-N 1 0 225.317 1.802 40 0 BDABRO Cc1nc([C@@H]2C[NH2+]C[C@@H]2c2ccccc2)no1 ZINC000328579455 180045263 /nfs/dbraw/zinc/04/52/63/180045263.db2.gz JNGSNVZSUWUWMM-VXGBXAGGSA-N 1 0 229.283 1.849 40 0 BDABRO Cc1nc2ncnc(NCC[NH+]3CCCC3)c2[nH]1 ZINC000072240937 180115628 /nfs/dbraw/zinc/11/56/28/180115628.db2.gz XCPQTBSGUOGORM-UHFFFAOYSA-N 1 0 246.318 1.169 40 0 BDABRO Cc1ncc([C@H](C[NH3+])N2CCCCC2)cn1 ZINC000074073207 180173894 /nfs/dbraw/zinc/17/38/94/180173894.db2.gz SLCWACIQXYOTGW-LBPRGKRZSA-N 1 0 220.320 1.271 40 0 BDABRO CC(=O)Oc1cc2c(cc1O)[C@@H](C)[NH2+]CC2 ZINC000024717640 350228108 /nfs/dbraw/zinc/22/81/08/350228108.db2.gz SCXYAPDHGBPYJK-SSDOTTSWSA-N 1 0 221.256 1.524 40 0 BDABRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C2CC2)c1 ZINC000033465455 350234865 /nfs/dbraw/zinc/23/48/65/350234865.db2.gz OHEVEUHLWQXBHG-ZDUSSCGKSA-N 1 0 235.327 1.795 40 0 BDABRO CN(C)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363709 350476435 /nfs/dbraw/zinc/47/64/35/350476435.db2.gz ZCEQUXCLMBTVIP-LLVKDONJSA-N 1 0 206.289 1.183 40 0 BDABRO Cc1[nH]n2c(CCCCC[NH3+])nnc2c1Cl ZINC000255187801 180394511 /nfs/dbraw/zinc/39/45/11/180394511.db2.gz GVIJVUPCVLLZNV-UHFFFAOYSA-N 1 0 241.726 1.691 40 0 BDABRO CCOC(=O)CC[C@H]([NH3+])c1cccnc1 ZINC000231560171 350836891 /nfs/dbraw/zinc/83/68/91/350836891.db2.gz CUUPNRJONSSVMP-JTQLQIEISA-N 1 0 208.261 1.425 40 0 BDABRO OC[C@H]1C[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000105639334 352075640 /nfs/dbraw/zinc/07/56/40/352075640.db2.gz DXYYAFINPZAKJE-MWLCHTKSSA-N 1 0 211.692 1.635 40 0 BDABRO COc1ccc(CC2C[NH2+]C2)c(OC)c1OC ZINC000022157895 187592035 /nfs/dbraw/zinc/59/20/35/187592035.db2.gz LBFNOEULVSTHAL-UHFFFAOYSA-N 1 0 237.299 1.474 40 0 BDABRO CC(C)[C@H]([NH3+])c1nnc(-c2ccc(O)cc2)[nH]1 ZINC000095534722 187627300 /nfs/dbraw/zinc/62/73/00/187627300.db2.gz QSOSFNSPFBGXRU-JTQLQIEISA-N 1 0 232.287 1.833 40 0 BDABRO CC(C)(C)c1cc(CN2CC[C@H]([NH3+])C2)[nH]n1 ZINC000096523499 187628972 /nfs/dbraw/zinc/62/89/72/187628972.db2.gz UHMFOWIZVOTWEQ-VIFPVBQESA-N 1 0 222.336 1.240 40 0 BDABRO COc1ccc(CN2CC[C@H]([NH3+])C2)cc1F ZINC000038538916 187663376 /nfs/dbraw/zinc/66/33/76/187663376.db2.gz PLNBRSRZZNXQLL-JTQLQIEISA-N 1 0 224.279 1.367 40 0 BDABRO FC(F)(F)c1nccn1C1CC[NH2+]CC1 ZINC000082735079 180898481 /nfs/dbraw/zinc/89/84/81/180898481.db2.gz ASKDZSIBZXQDSL-UHFFFAOYSA-N 1 0 219.210 1.826 40 0 BDABRO CC(C)C[C@H]([NH3+])CN1CC[NH+](C(C)C)CC1 ZINC000036190239 188255343 /nfs/dbraw/zinc/25/53/43/188255343.db2.gz GXZYHHKWFGMKAX-ZDUSSCGKSA-N 1 0 227.396 1.386 40 0 BDABRO CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1 ZINC000026897869 188282915 /nfs/dbraw/zinc/28/29/15/188282915.db2.gz CGXXPDXKMSVIBS-CQSZACIVSA-N 1 0 237.343 1.810 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccco1)C1CC1 ZINC000037806087 188288352 /nfs/dbraw/zinc/28/83/52/188288352.db2.gz KSLJDLFXRPJROJ-LBPRGKRZSA-N 1 0 236.315 1.754 40 0 BDABRO CC(C)N(CC[NH3+])[C@H](C)c1nccs1 ZINC000079436104 188291318 /nfs/dbraw/zinc/29/13/18/188291318.db2.gz MFBJYQZZQBFVJU-SECBINFHSA-N 1 0 213.350 1.873 40 0 BDABRO O=C1Oc2ccccc2CN1C1CC[NH2+]CC1 ZINC000039376449 188291731 /nfs/dbraw/zinc/29/17/31/188291731.db2.gz BXTYEAQNGBPZTC-UHFFFAOYSA-N 1 0 232.283 1.753 40 0 BDABRO OCC[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000079393470 188292154 /nfs/dbraw/zinc/29/21/54/188292154.db2.gz ZFHGOCAUXHDIIY-CQSZACIVSA-N 1 0 234.343 1.233 40 0 BDABRO CC(=O)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC000096157331 188321001 /nfs/dbraw/zinc/32/10/01/188321001.db2.gz ROWMFWZREGHVKG-UHFFFAOYSA-N 1 0 244.338 1.670 40 0 BDABRO CC(C)C[C@@H]([NH3+])c1nc2cnccc2c(=O)[nH]1 ZINC000096510443 188321074 /nfs/dbraw/zinc/32/10/74/188321074.db2.gz RORHIJDTEIQPRU-SECBINFHSA-N 1 0 232.287 1.776 40 0 BDABRO C(OC[C@@H]1COCCC12CC[NH2+]CC2)C1CC1 ZINC000096106490 188321599 /nfs/dbraw/zinc/32/15/99/188321599.db2.gz YHMHIWMOQKXSMU-ZDUSSCGKSA-N 1 0 239.359 1.819 40 0 BDABRO CCCC[C@@H]1C[C@H](O)C[N@@H+]1CCOCC ZINC000217881387 188355756 /nfs/dbraw/zinc/35/57/56/188355756.db2.gz CVWULBIVPMKHKA-NEPJUHHUSA-N 1 0 215.337 1.648 40 0 BDABRO CC(C)[NH+]1CC(c2nn(C)c3nccnc23)C1 ZINC000257253081 188369692 /nfs/dbraw/zinc/36/96/92/188369692.db2.gz JXMOFYLGZKETGD-UHFFFAOYSA-N 1 0 231.303 1.171 40 0 BDABRO Cn1cccc1C[NH2+]CCCn1ccnc1 ZINC000005066066 353554147 /nfs/dbraw/zinc/55/41/47/353554147.db2.gz NKAIMZFDQFPEJG-UHFFFAOYSA-N 1 0 218.304 1.402 40 0 BDABRO Fc1ccccc1CN[C@@H]1CCC[NH2+]C1 ZINC000095147665 181012853 /nfs/dbraw/zinc/01/28/53/181012853.db2.gz ARTHDYOBGVPKQU-LLVKDONJSA-N 1 0 208.280 1.667 40 0 BDABRO Fc1ccccc1CNC[C@@H]1CCC[NH2+]1 ZINC000072202923 181013069 /nfs/dbraw/zinc/01/30/69/181013069.db2.gz IWKGDCGWFPAIGQ-NSHDSACASA-N 1 0 208.280 1.667 40 0 BDABRO C[NH+](C)[C@H](c1cccnc1)C1COCOC1 ZINC000001575235 363319811 /nfs/dbraw/zinc/31/98/11/363319811.db2.gz SMZVRZPJXBGNFT-GFCCVEGCSA-N 1 0 222.288 1.305 40 0 in-man BDABRO C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000039269470 355129362 /nfs/dbraw/zinc/12/93/62/355129362.db2.gz MUVGBRLYRTVCSM-UHFFFAOYSA-N 1 0 209.264 1.739 40 0 BDABRO NC(=[NH2+])c1cc(Br)ccn1 ZINC000071186712 181194394 /nfs/dbraw/zinc/19/43/94/181194394.db2.gz IMSYCPLDIVWPRA-UHFFFAOYSA-N 1 0 200.039 1.128 40 0 BDABRO NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000096161547 181252535 /nfs/dbraw/zinc/25/25/35/181252535.db2.gz TXUPXWCLFMLKOO-BETUJISGSA-N 1 0 245.326 1.129 40 0 BDABRO NC(=O)[C@@H](c1ccccc1)C1CC[NH2+]CC1 ZINC000205343099 181266181 /nfs/dbraw/zinc/26/61/81/181266181.db2.gz SVWIDMNGSODSJO-LBPRGKRZSA-N 1 0 218.300 1.255 40 0 BDABRO CSc1nc(Cl)c2c(n1)CC[NH2+]C2 ZINC000035269981 356466908 /nfs/dbraw/zinc/46/69/08/356466908.db2.gz WOKOJJXVQQKKEU-UHFFFAOYSA-N 1 0 215.709 1.498 40 0 BDABRO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1nccs1 ZINC000019487503 356582450 /nfs/dbraw/zinc/58/24/50/356582450.db2.gz VMIAFWZMECVHJN-SNVBAGLBSA-N 1 0 247.323 1.652 40 0 BDABRO CC(C)[N@H+](C1CCCC1)[C@H]1CNCC[C@@]1(C)O ZINC000685936087 538757036 /nfs/dbraw/zinc/75/70/36/538757036.db2.gz DIPWZUMYBYQZTB-UONOGXRCSA-N 1 0 240.391 1.752 40 0 BDABRO Cn1nc(C[NH+](C)C)c(-c2ccc(F)cc2)c1N ZINC000026511952 357163989 /nfs/dbraw/zinc/16/39/89/357163989.db2.gz CNTCEMBQPUSJRV-UHFFFAOYSA-N 1 0 248.305 1.870 40 0 BDABRO O=C1CCC(=O)N1[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000103401071 358054066 /nfs/dbraw/zinc/05/40/66/358054066.db2.gz UJZWYHABZLDLFD-MNOVXSKESA-N 1 0 236.315 1.152 40 0 BDABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000037470167 358992095 /nfs/dbraw/zinc/99/20/95/358992095.db2.gz NVISSTNTBKVSPW-JTQLQIEISA-N 1 0 228.336 1.995 40 0 BDABRO [NH3+][C@H](CO)c1cc(Br)cs1 ZINC000041678725 359328416 /nfs/dbraw/zinc/32/84/16/359328416.db2.gz YEKUOYPMPXADTL-RXMQYKEDSA-N 1 0 222.107 1.503 40 0 BDABRO NC(=S)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000085389681 181319569 /nfs/dbraw/zinc/31/95/69/181319569.db2.gz LNTQIFBASBLFBA-UHFFFAOYSA-N 1 0 235.356 1.938 40 0 BDABRO [NH3+]C/C(Br)=C/Br ZINC000031924155 181323706 /nfs/dbraw/zinc/32/37/06/181323706.db2.gz MPVYZQSMFBPMSE-IWQZZHSRSA-N 1 0 214.888 1.576 40 0 BDABRO [NH3+]C1CCN(Cc2ccc(F)cc2F)CC1 ZINC000026515162 181345145 /nfs/dbraw/zinc/34/51/45/181345145.db2.gz OURHYPJOGGGKIL-UHFFFAOYSA-N 1 0 226.270 1.888 40 0 BDABRO [NH3+]CC(=O)N(Cc1ccccc1Cl)C1CC1 ZINC000032090337 181347523 /nfs/dbraw/zinc/34/75/23/181347523.db2.gz DSKYYFWABDYEBY-UHFFFAOYSA-N 1 0 238.718 1.790 40 0 BDABRO [NH3+]CC1(c2ncccc2F)CCOCC1 ZINC000098214135 181364014 /nfs/dbraw/zinc/36/40/14/181364014.db2.gz UWNQHCHCWBPQBV-UHFFFAOYSA-N 1 0 210.252 1.228 40 0 BDABRO [NH3+]C[C@@H](CC(=O)N1CCCC1)c1ccccc1 ZINC000057520872 181417821 /nfs/dbraw/zinc/41/78/21/181417821.db2.gz YFSTYOYTUDGKTH-CYBMUJFWSA-N 1 0 232.327 1.741 40 0 BDABRO CCN(C[C@H]1CCC[NH2+]1)C(=O)OC(C)(C)C ZINC000079437593 169897231 /nfs/dbraw/zinc/89/72/31/169897231.db2.gz RYCDSOGFKNRPKD-SNVBAGLBSA-N 1 0 228.336 1.995 40 0 BDABRO C[NH2+][C@@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000101632370 368340690 /nfs/dbraw/zinc/34/06/90/368340690.db2.gz WZFJIVAORYKBMY-GHMZBOCLSA-N 1 0 220.320 1.221 40 0 BDABRO Cc1cc(N(C)C)nc([C@@]2(C)CCC[NH2+]C2)n1 ZINC000205684515 368356468 /nfs/dbraw/zinc/35/64/68/368356468.db2.gz GQCKTAZWTAZLOL-ZDUSSCGKSA-N 1 0 234.347 1.492 40 0 BDABRO c1c[nH]c(-c2cc(C[C@H]3CCC[NH2+]C3)ncn2)n1 ZINC000205687476 368357584 /nfs/dbraw/zinc/35/75/84/368357584.db2.gz WGYVMTAZPVKFNP-SNVBAGLBSA-N 1 0 243.314 1.409 40 0 BDABRO O=C1OCCN1c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000205690322 368358817 /nfs/dbraw/zinc/35/88/17/368358817.db2.gz RSQUOFBMMZULAT-SNVBAGLBSA-N 1 0 247.298 1.505 40 0 BDABRO CN(C)c1nc(C2CC[NH2+]CC2)cn2nccc12 ZINC000205686965 369996387 /nfs/dbraw/zinc/99/63/87/369996387.db2.gz RBIOADMKJMFTOH-UHFFFAOYSA-N 1 0 245.330 1.262 40 0 BDABRO CC(C)n1ccnc1[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000242648990 259545140 /nfs/dbraw/zinc/54/51/40/259545140.db2.gz RPJSBYXOKWUVIT-GHMZBOCLSA-N 1 0 223.320 1.890 40 0 BDABRO C[NH2+]C[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C ZINC000252492946 259546665 /nfs/dbraw/zinc/54/66/65/259546665.db2.gz MYCOBMTYLKGGMC-BDAKNGLRSA-N 1 0 232.299 1.553 40 0 BDABRO [NH3+][C@@H]1CCN(c2ncnc3ccccc32)C1 ZINC000050244292 181590454 /nfs/dbraw/zinc/59/04/54/181590454.db2.gz JUOPLTBLHDAQTE-SECBINFHSA-N 1 0 214.272 1.167 40 0 BDABRO CCOC(=O)c1cccc(OCC2C[NH2+]C2)c1 ZINC000038580823 372709134 /nfs/dbraw/zinc/70/91/34/372709134.db2.gz BOXUHASFXBGEHY-UHFFFAOYSA-N 1 0 235.283 1.462 40 0 BDABRO O=C(NCC1CC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC000096227852 182140504 /nfs/dbraw/zinc/14/05/04/182140504.db2.gz XSHGYKXXLANFGW-LBPRGKRZSA-N 1 0 236.359 1.683 40 0 BDABRO O=C(N[C@H]1CC[NH2+]C1)c1nccc2ccccc21 ZINC000052092886 182336025 /nfs/dbraw/zinc/33/60/25/182336025.db2.gz AWZGTZIVGDPJRS-NSHDSACASA-N 1 0 241.294 1.327 40 0 BDABRO O=C(OCc1ccccc1)N1C[C@H]2C[C@@H]1C[NH2+]2 ZINC000004290298 182605250 /nfs/dbraw/zinc/60/52/50/182605250.db2.gz SFFOUMARWDXTDD-VXGBXAGGSA-N 1 0 232.283 1.369 40 0 BDABRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+]2CCCC[C@H]12 ZINC000000900282 183001931 /nfs/dbraw/zinc/00/19/31/183001931.db2.gz FQEQMASDZFXSJI-JHJVBQTASA-N 1 0 244.338 1.820 40 0 biogenic,in-vitro BDABRO OC1(c2ccc(F)cc2)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000002598904 183023088 /nfs/dbraw/zinc/02/30/88/183023088.db2.gz MYJBPUJZBWHQTE-FUNVUKJBSA-N 1 0 221.275 1.928 40 0 BDABRO OCCCC[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000256049713 183052628 /nfs/dbraw/zinc/05/26/28/183052628.db2.gz BBXHIJMBHYSOHB-UHFFFAOYSA-N 1 0 237.347 1.860 40 0 BDABRO OCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000048065477 183068440 /nfs/dbraw/zinc/06/84/40/183068440.db2.gz PSCBHCQHYSTTRE-UHFFFAOYSA-N 1 0 209.264 1.782 40 0 BDABRO OCC[N@@H+](Cc1cccs1)C[C@@H]1CCOC1 ZINC000013997453 183069610 /nfs/dbraw/zinc/06/96/10/183069610.db2.gz ATHJADXEKOGRAI-NSHDSACASA-N 1 0 241.356 1.579 40 0 BDABRO OCC[C@H]1C[NH2+]Cc2cc(Cl)ccc21 ZINC000095891402 183098685 /nfs/dbraw/zinc/09/86/85/183098685.db2.gz BWJGRUSVADYUNO-QMMMGPOBSA-N 1 0 211.692 1.909 40 0 BDABRO OCc1cc([C@@H]2CCCC[N@@H+]2CC2CC2)[nH]n1 ZINC000072383317 183161364 /nfs/dbraw/zinc/16/13/64/183161364.db2.gz IVQBZXNTZNPPCY-ZDUSSCGKSA-N 1 0 235.331 1.839 40 0 BDABRO OC[C@H](c1ccccc1)[n+]1ccccc1 ZINC000001673060 183145454 /nfs/dbraw/zinc/14/54/54/183145454.db2.gz OFFRLEPYOPNDME-CYBMUJFWSA-N 1 0 200.261 1.556 40 0 BDABRO O[C@@H](C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000100480048 183172781 /nfs/dbraw/zinc/17/27/81/183172781.db2.gz MIXKOCBGTXYXIY-GJZGRUSLSA-N 1 0 247.338 1.658 40 0 BDABRO O[C@H](C[NH2+]C1CCCC1)COC1CCCC1 ZINC000033866892 183222825 /nfs/dbraw/zinc/22/28/25/183222825.db2.gz QESAJCTXOPNKDA-GFCCVEGCSA-N 1 0 227.348 1.839 40 0 BDABRO O[C@H](C[n+]1ccccc1)c1cccs1 ZINC000006567685 183227233 /nfs/dbraw/zinc/22/72/33/183227233.db2.gz RIMUMPPVUKSRKZ-SNVBAGLBSA-N 1 0 206.290 1.769 40 0 BDABRO O[C@H](C[n+]1ccccc1)c1ccc2c(c1)OCO2 ZINC000001578676 183227714 /nfs/dbraw/zinc/22/77/14/183227714.db2.gz YWYAEKYWZIELQR-GFCCVEGCSA-N 1 0 244.270 1.436 40 0 BDABRO O[C@H]1C[C@H]2CC[C@H]([NH2+]2)[C@@H]1c1ccccc1 ZINC000005496347 183248992 /nfs/dbraw/zinc/24/89/92/183248992.db2.gz WQPYOHFLZYRPPI-VOAKCMCISA-N 1 0 203.285 1.655 40 0 BDABRO O[C@]12CCCC[C@H]1C[n+]1ccccc1C2 ZINC000001704542 183252895 /nfs/dbraw/zinc/25/28/95/183252895.db2.gz IXSIAVPKHQVMHL-AAEUAGOBSA-N 1 0 204.293 1.452 40 0 BDABRO [O-][n+]1cc2cccc[n+]2cc1-c1ccccc1 ZINC000001564551 183318258 /nfs/dbraw/zinc/31/82/58/183318258.db2.gz FIDAHXNHHWDIEC-UHFFFAOYSA-N 1 0 223.255 1.726 40 0 BDABRO c1cc(-c2nc([C@@H]3CC[NH2+]C3)no2)cs1 ZINC000328579559 183330783 /nfs/dbraw/zinc/33/07/83/183330783.db2.gz OWOWJBALPWUSNO-SSDOTTSWSA-N 1 0 221.285 1.875 40 0 BDABRO c1cc(-c2ncc3c(n2)CC[NH2+]C3)ccn1 ZINC000038579744 183332475 /nfs/dbraw/zinc/33/24/75/183332475.db2.gz DWWFGJSENPKTIE-UHFFFAOYSA-N 1 0 212.256 1.184 40 0 BDABRO c1ccc(-c2noc([C@@H]3CC[NH2+]C3)n2)cc1 ZINC000062119558 183385370 /nfs/dbraw/zinc/38/53/70/183385370.db2.gz UIPZDAZQRBNIGB-SNVBAGLBSA-N 1 0 215.256 1.814 40 0 BDABRO c1ccc(CN2CCC3(C[NH2+]C3)C2)cc1 ZINC000083284262 183395951 /nfs/dbraw/zinc/39/59/51/183395951.db2.gz FEEPYEXHXJWMAX-UHFFFAOYSA-N 1 0 202.301 1.482 40 0 BDABRO CCC[NH2+]Cc1cnn(CC(F)F)c1C ZINC000256050365 169270049 /nfs/dbraw/zinc/27/00/49/169270049.db2.gz DTIBRVPWTPKTDV-UHFFFAOYSA-N 1 0 217.263 1.956 40 0 BDABRO N[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000035677096 383865660 /nfs/dbraw/zinc/86/56/60/383865660.db2.gz PZUVTQYOKUMPDY-MRVPVSSYSA-N 1 0 204.195 1.664 40 0 BDABRO CN(Cc1cccnc1)C[C@@H]1CCC[NH2+]1 ZINC000036771404 383908897 /nfs/dbraw/zinc/90/88/97/383908897.db2.gz QTYFRRHKULDHCA-LBPRGKRZSA-N 1 0 205.305 1.265 40 0 BDABRO CN(C)CC(C[NH+](C)C)[C@H](O)c1ccccc1 ZINC000001610074 383911742 /nfs/dbraw/zinc/91/17/42/383911742.db2.gz SQIRUSMYBMFOTE-CQSZACIVSA-N 1 0 236.359 1.459 40 0 BDABRO CCC[C@@H]1[NH2+]CCO[C@]1(O)c1ccccc1 ZINC000001622218 383915987 /nfs/dbraw/zinc/91/59/87/383915987.db2.gz UXBDYFZMNRGSOT-QWHCGFSZSA-N 1 0 221.300 1.620 40 0 BDABRO Cc1c[nH+]c(NCc2ccncc2)c(N)c1 ZINC000036226374 383886515 /nfs/dbraw/zinc/88/65/15/383886515.db2.gz AQAZNWVEAWFONA-UHFFFAOYSA-N 1 0 214.272 1.979 40 0 BDABRO CCOC(=O)C[C@@](C)(CC)[NH+]1CCOCC1 ZINC000070823423 384044243 /nfs/dbraw/zinc/04/42/43/384044243.db2.gz IUIDCNTZSRUDFW-GFCCVEGCSA-N 1 0 229.320 1.441 40 0 BDABRO c1cnc(Nc2cncc([C@H]3CCC[NH2+]3)n2)nc1 ZINC000072376505 384035653 /nfs/dbraw/zinc/03/56/53/384035653.db2.gz SPXIQGZQOUCNGJ-SECBINFHSA-N 1 0 242.286 1.435 40 0 BDABRO CN1CC[C@@](CC[NH+](C)C)(c2ccccc2)C1=O ZINC000004962469 384090889 /nfs/dbraw/zinc/09/08/89/384090889.db2.gz OCLJHJJTJRUCLS-HNNXBMFYSA-N 1 0 246.354 1.738 40 0 BDABRO [NH3+]C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000069978143 384070058 /nfs/dbraw/zinc/07/00/58/384070058.db2.gz GAGYLLOOOYKLMI-ZETCQYMHSA-N 1 0 210.664 1.792 40 0 BDABRO C[NH+](C)CCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 ZINC000004721586 384077840 /nfs/dbraw/zinc/07/78/40/384077840.db2.gz ILVRZDGATWCZSB-KPWCQOOUSA-N 1 0 220.360 1.692 40 0 BDABRO C[N@H+](CCO)Cc1nccc2ccccc21 ZINC000079422042 384141959 /nfs/dbraw/zinc/14/19/59/384141959.db2.gz LQJCWAFGUFYXSK-UHFFFAOYSA-N 1 0 216.284 1.659 40 0 BDABRO C[C@H]([NH3+])C(=O)N([C@@H](C)c1ccccn1)C1CC1 ZINC000079421824 384145314 /nfs/dbraw/zinc/14/53/14/384145314.db2.gz LLNYCCIGAWZCIQ-UWVGGRQHSA-N 1 0 233.315 1.481 40 0 BDABRO CN(C)c1cc([C@@H]2CCC[NH2+]C2)ccn1 ZINC000072344138 384208488 /nfs/dbraw/zinc/20/84/88/384208488.db2.gz SJBZEOCNDLWMEO-LLVKDONJSA-N 1 0 205.305 1.615 40 0 BDABRO CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000072849060 384235907 /nfs/dbraw/zinc/23/59/07/384235907.db2.gz OKZLLFUCAQVTBQ-JTQLQIEISA-N 1 0 212.337 1.633 40 0 BDABRO Cc1nc(CC2CC[NH+](C)CC2)cc(N(C)C)n1 ZINC000072352113 384210572 /nfs/dbraw/zinc/21/05/72/384210572.db2.gz PFRCAMSCYHRASA-UHFFFAOYSA-N 1 0 248.374 1.735 40 0 BDABRO CC(C)[NH+]1CCC(c2[nH]nc3nccnc32)CC1 ZINC000072351948 384210922 /nfs/dbraw/zinc/21/09/22/384210922.db2.gz LUQBQUZODJCGBG-UHFFFAOYSA-N 1 0 245.330 1.941 40 0 BDABRO Cc1c[nH]nc1[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000072382073 384218704 /nfs/dbraw/zinc/21/87/04/384218704.db2.gz IUVHWWAQDVMBNM-ZDUSSCGKSA-N 1 0 249.358 1.934 40 0 BDABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000072382072 384220327 /nfs/dbraw/zinc/22/03/27/384220327.db2.gz IUVHWWAQDVMBNM-CYBMUJFWSA-N 1 0 249.358 1.934 40 0 BDABRO O=C1C[C@@]2(C[C@H]3CC[C@@H]2[NH2+]3)Oc2ccccc21 ZINC000072398202 384221434 /nfs/dbraw/zinc/22/14/34/384221434.db2.gz CFFZNYKUCHNBJR-BIGNPOOSSA-N 1 0 229.279 1.915 40 0 BDABRO [NH3+]Cc1cn(-c2ccc(F)c(F)c2)cn1 ZINC000082533183 384226852 /nfs/dbraw/zinc/22/68/52/384226852.db2.gz ICBQBBRWTUOJFC-UHFFFAOYSA-N 1 0 209.199 1.609 40 0 BDABRO CC[N@H+](CC(=O)[O-])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177721 384282487 /nfs/dbraw/zinc/28/24/87/384282487.db2.gz CLXOCZUNMRRRHZ-PHIMTYICSA-N 1 0 228.336 1.266 40 0 BDABRO C[NH+](C)Cc1cccc(NC(N)=S)c1 ZINC000059672792 384325021 /nfs/dbraw/zinc/32/50/21/384325021.db2.gz QJSRVVDCAYXCBA-UHFFFAOYSA-N 1 0 209.318 1.404 40 0 BDABRO Fc1ccc(-n2cnnc2[C@H]2CCC[NH2+]C2)cc1 ZINC000082552806 384328653 /nfs/dbraw/zinc/32/86/53/384328653.db2.gz QZKOXNHSSOVKAP-JTQLQIEISA-N 1 0 246.289 1.873 40 0 BDABRO C[C@H]([NH3+])c1nc(COc2ccccc2)n[nH]1 ZINC000061843880 384383189 /nfs/dbraw/zinc/38/31/89/384383189.db2.gz OWNNAIWHGTUQHC-QMMMGPOBSA-N 1 0 218.260 1.403 40 0 BDABRO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1C1CC1 ZINC000095642332 384384431 /nfs/dbraw/zinc/38/44/31/384384431.db2.gz WRKIMEBHYLJNGY-JTQLQIEISA-N 1 0 226.320 1.605 40 0 BDABRO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](C2CC2)C1 ZINC000095642330 384384778 /nfs/dbraw/zinc/38/47/78/384384778.db2.gz HHEGEBMPXPIGCR-SNVBAGLBSA-N 1 0 226.320 1.605 40 0 BDABRO c1ccc(OC[C@@H]2C[C@H]3[NH2+]CCO[C@H]3C2)nc1 ZINC000107257863 384389591 /nfs/dbraw/zinc/38/95/91/384389591.db2.gz IMNVOPBCAIYZKB-UTUOFQBUSA-N 1 0 234.299 1.227 40 0 BDABRO O=C(c1cccc(F)c1)N1CC[C@H]2C[NH2+]CC[C@@H]21 ZINC000096249210 384445248 /nfs/dbraw/zinc/44/52/48/384445248.db2.gz FTALEENNIGJITL-AAEUAGOBSA-N 1 0 248.301 1.650 40 0 BDABRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(CC2CC2)C1 ZINC000096059187 384432330 /nfs/dbraw/zinc/43/23/30/384432330.db2.gz RJYKWIKFRHPLFY-ZDUSSCGKSA-N 1 0 248.374 1.287 40 0 BDABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2CCc2ccccc2)N1 ZINC000096186192 384439305 /nfs/dbraw/zinc/43/93/05/384439305.db2.gz NFCILIPIZSNLPC-KBPBESRZSA-N 1 0 244.338 1.582 40 0 BDABRO CC(C)[C@@H]([NH3+])Cn1nc(C2CC2)ccc1=O ZINC000013566350 384483145 /nfs/dbraw/zinc/48/31/45/384483145.db2.gz HOBMAQPFPQCWMD-JTQLQIEISA-N 1 0 221.304 1.104 40 0 BDABRO COC(=O)/C=C/[C@H]([NH3+])Cc1ccccc1 ZINC000033844220 384501865 /nfs/dbraw/zinc/50/18/65/384501865.db2.gz GIBLLUQATZGTAM-AEZGRPFRSA-N 1 0 205.257 1.286 40 0 BDABRO C[NH+](C)CC(=O)N1CCC[C@H]1c1ccccn1 ZINC000019695438 384534472 /nfs/dbraw/zinc/53/44/72/384534472.db2.gz HQCTWPCOSFTAHY-LBPRGKRZSA-N 1 0 233.315 1.307 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2[NH2+]C[C@@]2(C)C1 ZINC000238211017 384538824 /nfs/dbraw/zinc/53/88/24/384538824.db2.gz MAAKDBFEHVWWNI-KCJUWKMLSA-N 1 0 212.293 1.215 40 0 BDABRO Fc1ccc2c(c1)OCC21CC[NH2+]CC1 ZINC000098214099 384606592 /nfs/dbraw/zinc/60/65/92/384606592.db2.gz SIGNBPZEEQZEPI-UHFFFAOYSA-N 1 0 207.248 1.839 40 0 BDABRO [NH3+]Cc1ccc(N2CCCCS2(=O)=O)cc1 ZINC000082657120 384701003 /nfs/dbraw/zinc/70/10/03/384701003.db2.gz GCKLOGQCACGSFK-UHFFFAOYSA-N 1 0 240.328 1.075 40 0 BDABRO CCCCCOCc1c(C[NH3+])cnn1C ZINC000408715831 384701382 /nfs/dbraw/zinc/70/13/82/384701382.db2.gz FITGUZJBFVTFQY-UHFFFAOYSA-N 1 0 211.309 1.586 40 0 BDABRO [NH3+]Cc1ccc(OCC2CCOCC2)nc1 ZINC000052145837 384721024 /nfs/dbraw/zinc/72/10/24/384721024.db2.gz VEDIUDCVNNBVLZ-UHFFFAOYSA-N 1 0 222.288 1.346 40 0 BDABRO [NH3+]C[C@H](C1CCCCC1)N1CCOCC1 ZINC000022172202 384738595 /nfs/dbraw/zinc/73/85/95/384738595.db2.gz MNRJTKDARAKRQA-GFCCVEGCSA-N 1 0 212.337 1.226 40 0 BDABRO c1cncc(O[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC000096223635 384783742 /nfs/dbraw/zinc/78/37/42/384783742.db2.gz INGOMGUGJWGNDW-STQMWFEESA-N 1 0 234.299 1.372 40 0 BDABRO CC(C)=CC(=O)N1CCC2(CC([NH+](C)C)C2)C1 ZINC000108524450 385050997 /nfs/dbraw/zinc/05/09/97/385050997.db2.gz RVTULPVJJJSWMU-UHFFFAOYSA-N 1 0 236.359 1.895 40 0 BDABRO c1ncc(COC[C@@H]2CCCC[NH2+]2)s1 ZINC000072203781 385057614 /nfs/dbraw/zinc/05/76/14/385057614.db2.gz INPCFUJUGCPAPP-VIFPVBQESA-N 1 0 212.318 1.802 40 0 BDABRO CC[C@@H]([NH3+])[C@@H](C)NC(=O)OC(C)(C)C ZINC000072208903 385063695 /nfs/dbraw/zinc/06/36/95/385063695.db2.gz STQXVGTXOOQFKZ-HTQZYQBOSA-N 1 0 202.298 1.637 40 0 BDABRO CCOC(=O)[C@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000072210551 385067820 /nfs/dbraw/zinc/06/78/20/385067820.db2.gz IQZALQICGRCWAB-NSHDSACASA-N 1 0 240.347 1.285 40 0 BDABRO CCOC(=O)[C@@H](N)C1([NH+](CC)CC)CCCC1 ZINC000072210549 385069024 /nfs/dbraw/zinc/06/90/24/385069024.db2.gz ZVVOEOSESUAXSR-LLVKDONJSA-N 1 0 242.363 1.531 40 0 BDABRO CCSc1ncc(C[NH2+]C[C@@H](C)O)cn1 ZINC000062717333 385032669 /nfs/dbraw/zinc/03/26/69/385032669.db2.gz FEIZGRBAFPDTSF-MRVPVSSYSA-N 1 0 227.333 1.059 40 0 BDABRO Nc1ncc(C[NH2+]C2CCCCCC2)cn1 ZINC000062717385 385032760 /nfs/dbraw/zinc/03/27/60/385032760.db2.gz REVUDFCXGWJQAN-UHFFFAOYSA-N 1 0 220.320 1.871 40 0 BDABRO CC[C@@H]([NH3+])c1ccc(N2CCOCC2)nc1 ZINC000072225496 385109845 /nfs/dbraw/zinc/10/98/45/385109845.db2.gz SOPVZPCCCHAUFG-LLVKDONJSA-N 1 0 221.304 1.328 40 0 BDABRO CCC(=O)c1cnc(N2CCOCC2)cc1C ZINC000072223547 385112537 /nfs/dbraw/zinc/11/25/37/385112537.db2.gz RROKSDWVKAQINH-UHFFFAOYSA-N 1 0 234.299 1.819 40 0 BDABRO CC[NH+]1CCN(c2cc(C)c([C@@H](C)O)cn2)CC1 ZINC000072223627 385116916 /nfs/dbraw/zinc/11/69/16/385116916.db2.gz XAPWGBYURUTGIL-GFCCVEGCSA-N 1 0 249.358 1.585 40 0 BDABRO CC[C@@H]([NH3+])c1ccc(N2CCOCC2)nc1C ZINC000072224604 385119147 /nfs/dbraw/zinc/11/91/47/385119147.db2.gz MYYFDTZXXMPOKV-GFCCVEGCSA-N 1 0 235.331 1.636 40 0 BDABRO NN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000095095447 385124343 /nfs/dbraw/zinc/12/43/43/385124343.db2.gz TZTSYQMTSZFAKV-ZDUSSCGKSA-N 1 0 219.332 1.504 40 0 BDABRO Cc1cc(C)c2c(NC3CC[NH2+]CC3)n[nH]c2n1 ZINC000072353511 385256518 /nfs/dbraw/zinc/25/65/18/385256518.db2.gz QPCLACBVOBCOBZ-UHFFFAOYSA-N 1 0 245.330 1.739 40 0 BDABRO CN1C(=O)C(c2ccccc2)=N[C@]12CCC[NH2+]C2 ZINC000096516441 385257676 /nfs/dbraw/zinc/25/76/76/385257676.db2.gz BRZXSLZPJRIPNK-CQSZACIVSA-N 1 0 243.310 1.027 40 0 BDABRO Cc1nc(C2CC2)nc(N2CC[C@@H]([NH3+])C2)c1C ZINC000096517004 385255169 /nfs/dbraw/zinc/25/51/69/385255169.db2.gz QULLAIXYHOPNAZ-LLVKDONJSA-N 1 0 232.331 1.508 40 0 BDABRO CCOc1cccc([C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC000098089107 385314286 /nfs/dbraw/zinc/31/42/86/385314286.db2.gz NCURIUZGZLBULX-YPMHNXCESA-N 1 0 221.300 1.381 40 0 BDABRO Cc1nc(C2CC2)cc(N2CC[NH2+]CC2)n1 ZINC000096516873 385315083 /nfs/dbraw/zinc/31/50/83/385315083.db2.gz ZORQEDSLNFRANT-UHFFFAOYSA-N 1 0 218.304 1.072 40 0 BDABRO O=C1N[C@]2(CCC[NH2+]C2)Nc2ccc(F)cc21 ZINC000096516598 385259415 /nfs/dbraw/zinc/25/94/15/385259415.db2.gz PKIWUMFAPFBZAB-LBPRGKRZSA-N 1 0 235.262 1.061 40 0 BDABRO Cc1ccc(CN2CCCC[C@@H]2C[NH3+])cn1 ZINC000096523614 385266815 /nfs/dbraw/zinc/26/68/15/385266815.db2.gz KQASOOUAYSDJEF-CYBMUJFWSA-N 1 0 219.332 1.703 40 0 BDABRO [NH3+][C@H]1CCN(Cc2n[nH]c3ccccc32)C1 ZINC000096523509 385268945 /nfs/dbraw/zinc/26/89/45/385268945.db2.gz MWSGEAHAWOKSGC-VIFPVBQESA-N 1 0 216.288 1.096 40 0 BDABRO CCS(=O)(=O)C[C@@H]([NH3+])c1cccc(C)c1 ZINC000096524762 385275410 /nfs/dbraw/zinc/27/54/10/385275410.db2.gz FWCHQTLEIBUFBV-LLVKDONJSA-N 1 0 227.329 1.430 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@H]([NH3+])C(C)(C)C ZINC000096524851 385276917 /nfs/dbraw/zinc/27/69/17/385276917.db2.gz HJMQQCDHLRTZNJ-YUMQZZPRSA-N 1 0 207.339 1.183 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1C ZINC000096524841 385277884 /nfs/dbraw/zinc/27/78/84/385277884.db2.gz FWCANCDIXGABLX-CMPLNLGQSA-N 1 0 241.356 1.818 40 0 BDABRO C[C@@H]1CCc2nnc(N3CC[NH2+]CC3)cc2C1 ZINC000096530179 385285728 /nfs/dbraw/zinc/28/57/28/385285728.db2.gz JGFSGAXOSQOWPZ-SNVBAGLBSA-N 1 0 232.331 1.011 40 0 BDABRO [NH3+]CC1CCN(c2nc3cccnc3s2)CC1 ZINC000409428658 385326554 /nfs/dbraw/zinc/32/65/54/385326554.db2.gz NPYJUQIKHPLEMQ-UHFFFAOYSA-N 1 0 248.355 1.866 40 0 BDABRO CC[C@H]1[NH2+][C@H]1CCOC(=O)c1ccccc1 ZINC000169804302 385421248 /nfs/dbraw/zinc/42/12/48/385421248.db2.gz XNQACXQKUXBMHZ-NEPJUHHUSA-N 1 0 219.284 1.984 40 0 BDABRO [NH3+]C[C@@H](c1c(F)cccc1F)N1CCOCC1 ZINC000022214730 385685919 /nfs/dbraw/zinc/68/59/19/385685919.db2.gz NUHFWVQMJUJGBF-NSHDSACASA-N 1 0 242.269 1.297 40 0 BDABRO c1cnc(OCC[C@@H]2CCOC3(C[NH2+]C3)C2)nc1 ZINC000253596243 385686513 /nfs/dbraw/zinc/68/65/13/385686513.db2.gz OXMSVRVLWOOBHQ-LLVKDONJSA-N 1 0 249.314 1.014 40 0 BDABRO COc1cc(OC)cc([C@H]2C[C@@]2(C[NH3+])CO)c1 ZINC000062713685 385697579 /nfs/dbraw/zinc/69/75/79/385697579.db2.gz LNGMZQFCUSVSPE-CHWSQXEVSA-N 1 0 237.299 1.129 40 0 BDABRO [NH3+]C[C@@]1(CO)C[C@H]1c1ccccc1Cl ZINC000062713493 385698598 /nfs/dbraw/zinc/69/85/98/385698598.db2.gz HBXDEOLXDVKMAL-GXSJLCMTSA-N 1 0 211.692 1.765 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2F)CC1 ZINC000255189803 385713128 /nfs/dbraw/zinc/71/31/28/385713128.db2.gz SDTRWHJNXIIPAT-MGCOHNPYSA-N 1 0 236.290 1.825 40 0 BDABRO C[NH+](C)CCCNc1ccnc(Cl)n1 ZINC000038579737 385669577 /nfs/dbraw/zinc/66/95/77/385669577.db2.gz YPXPMUKPOCTOCI-UHFFFAOYSA-N 1 0 214.700 1.494 40 0 BDABRO c1n[nH]cc1-c1nccnc1C[C@H]1CC[NH2+]C1 ZINC000257207399 385753616 /nfs/dbraw/zinc/75/36/16/385753616.db2.gz BHONPDHTMHDQOT-SECBINFHSA-N 1 0 229.287 1.019 40 0 BDABRO Cn1cc(-c2cnc(C[C@H]3CC[NH2+]C3)cn2)cn1 ZINC000257238111 385754441 /nfs/dbraw/zinc/75/44/41/385754441.db2.gz HJQBGPFFQDSKOF-SNVBAGLBSA-N 1 0 243.314 1.029 40 0 BDABRO FC(F)(F)c1n[nH]c2c1CC[C@@H]1C[NH2+]C[C@@H]21 ZINC000257257627 385758079 /nfs/dbraw/zinc/75/80/79/385758079.db2.gz KQLVWBMMYFWVPI-IYSWYEEDSA-N 1 0 231.221 1.678 40 0 BDABRO Cc1cc(-c2cnc([C@H]3CCC[NH2+]C3)cn2)n[nH]1 ZINC000257291862 385761901 /nfs/dbraw/zinc/76/19/01/385761901.db2.gz QIXWAWSMKXORDG-JTQLQIEISA-N 1 0 243.314 1.642 40 0 BDABRO Cc1ccc2c(c1)[C@@]1(CC2)COCC[NH2+]1 ZINC000306145753 385995007 /nfs/dbraw/zinc/99/50/07/385995007.db2.gz PEMFIZIPRCZCMX-CYBMUJFWSA-N 1 0 203.285 1.756 40 0 BDABRO C[NH2+][C@@H](C(N)=O)c1ccccc1C(F)(F)F ZINC000037869972 386105812 /nfs/dbraw/zinc/10/58/12/386105812.db2.gz GRGDJLLKWJRZGA-MRVPVSSYSA-N 1 0 232.205 1.451 40 0 BDABRO COC(=O)[C@]12CC3C[C@H](C1)[C@@H]([NH3+])[C@@H](C3)C2 ZINC000100032999 386507121 /nfs/dbraw/zinc/50/71/21/386507121.db2.gz IXBLQWDWMIYKKE-BZBXYFLVSA-N 1 0 209.289 1.313 40 0 BDABRO Cc1c(C[NH3+])nnn1-c1cccc(F)c1 ZINC000062239870 386507148 /nfs/dbraw/zinc/50/71/48/386507148.db2.gz HIZYWYMJKHWKGV-UHFFFAOYSA-N 1 0 206.224 1.174 40 0 BDABRO O=C(OCc1ccccc1)N1C[C@@H]2CC[NH2+]C[C@@H]21 ZINC000095626829 386523043 /nfs/dbraw/zinc/52/30/43/386523043.db2.gz MHHNVRRIANKNON-STQMWFEESA-N 1 0 246.310 1.617 40 0 BDABRO O=C1c2ccccc2CN1CC1CC[NH2+]CC1 ZINC000098213954 386582692 /nfs/dbraw/zinc/58/26/92/386582692.db2.gz XMCQKFLXTPENLA-UHFFFAOYSA-N 1 0 230.311 1.642 40 0 BDABRO FC(F)(F)c1cc(O[C@H]2CCC[NH2+]C2)ncn1 ZINC000098213958 386583033 /nfs/dbraw/zinc/58/30/33/386583033.db2.gz MBVHLZSIFGWEPY-ZETCQYMHSA-N 1 0 247.220 1.626 40 0 BDABRO Cc1ccc(CN2C[C@H]3C[C@@]3([NH3+])C2)cc1C ZINC000247931581 386739090 /nfs/dbraw/zinc/73/90/90/386739090.db2.gz QUTUEZLUADMCHH-ZIAGYGMSSA-N 1 0 216.328 1.836 40 0 BDABRO c1nc2c(c(N3CCC[NH2+]CC3)n1)CCCC2 ZINC000094871355 386965159 /nfs/dbraw/zinc/96/51/59/386965159.db2.gz XJENHAQZMYPMRX-UHFFFAOYSA-N 1 0 232.331 1.155 40 0 BDABRO FC(F)(F)c1nc(CN2CC[NH2+]CC2)co1 ZINC000096509812 387034642 /nfs/dbraw/zinc/03/46/42/387034642.db2.gz LYVLYTOYUNSEKK-UHFFFAOYSA-N 1 0 235.209 1.099 40 0 BDABRO CC(C)n1ncc2c1C[C@H](C(N)=[NH2+])CC2 ZINC000575424510 387038516 /nfs/dbraw/zinc/03/85/16/387038516.db2.gz MBDPPARABSFRDV-MRVPVSSYSA-N 1 0 206.293 1.505 40 0 BDABRO CC(C)n1ncc2c1CC[C@@H](C(N)=[NH2+])C2 ZINC000575424852 387044924 /nfs/dbraw/zinc/04/49/24/387044924.db2.gz PDUIPJUHQNZMJV-MRVPVSSYSA-N 1 0 206.293 1.505 40 0 BDABRO CCn1cc(-c2noc([C@@H]3CCC[NH2+]3)n2)cn1 ZINC000575410820 387014788 /nfs/dbraw/zinc/01/47/88/387014788.db2.gz KKQBJKPXPMJGMH-VIFPVBQESA-N 1 0 233.275 1.378 40 0 BDABRO Cn1c2ccc(F)cc2c(=O)c2c1CC[NH2+]C2 ZINC000072221275 387126013 /nfs/dbraw/zinc/12/60/13/387126013.db2.gz UZCXWIXVTCLWOP-UHFFFAOYSA-N 1 0 232.258 1.323 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000052709618 387491697 /nfs/dbraw/zinc/49/16/97/387491697.db2.gz YCOGOMUBWVNMLO-JTQLQIEISA-N 1 0 225.723 1.658 40 0 BDABRO [NH3+]Cc1cccc(OC2CCOCC2)n1 ZINC000051522167 387850100 /nfs/dbraw/zinc/85/01/00/387850100.db2.gz RAYFVOHSBGRZQH-UHFFFAOYSA-N 1 0 208.261 1.098 40 0 BDABRO CCCn1cc(C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000116912132 387851824 /nfs/dbraw/zinc/85/18/24/387851824.db2.gz SOVSCVKOYZAKDE-LBPRGKRZSA-N 1 0 223.320 1.562 40 0 BDABRO CCCn1cc(C[NH2+]Cc2cccn2C)cn1 ZINC000256052983 387860120 /nfs/dbraw/zinc/86/01/20/387860120.db2.gz PNNIURFILGDTSS-UHFFFAOYSA-N 1 0 232.331 1.921 40 0 BDABRO CC[NH+](CC)CCCNCc1c(C)cnn1C ZINC000256055169 387862598 /nfs/dbraw/zinc/86/25/98/387862598.db2.gz ZNMDOAUMMNSDLV-UHFFFAOYSA-N 1 0 238.379 1.550 40 0 BDABRO [NH3+][C@H]1CCCN(CC(=O)c2cccs2)C1 ZINC000050149794 387903950 /nfs/dbraw/zinc/90/39/50/387903950.db2.gz XPVQHNSFHNEGAJ-VIFPVBQESA-N 1 0 224.329 1.354 40 0 BDABRO Cc1cc(C(=O)NCCC[NH+](C)C)c(C)n1C ZINC000008052013 177782480 /nfs/dbraw/zinc/78/24/80/177782480.db2.gz MWKYTANEQQIFOG-UHFFFAOYSA-N 1 0 237.347 1.323 40 0 BDABRO CCOC(=O)NCc1ccc([C@@H]2CCC[NH2+]2)o1 ZINC000217460736 256593383 /nfs/dbraw/zinc/59/33/83/256593383.db2.gz BNQOORUKDQELKB-JTQLQIEISA-N 1 0 238.287 1.950 40 0 BDABRO COc1cccc([C@@H]2CN(C)C[C@@H]2[NH3+])c1OC ZINC000216411568 256623596 /nfs/dbraw/zinc/62/35/96/256623596.db2.gz ZKYQIWYYJQYSPJ-QWRGUYRKSA-N 1 0 236.315 1.060 40 0 BDABRO Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000217990503 388385174 /nfs/dbraw/zinc/38/51/74/388385174.db2.gz HIAPVZWFYRGYFA-MWLCHTKSSA-N 1 0 225.313 1.116 40 0 BDABRO Cc1cc(-n2cc(N)nn2)c2ccccc2[nH+]1 ZINC000218798480 388392305 /nfs/dbraw/zinc/39/23/05/388392305.db2.gz JOKJSPZOHAURRR-UHFFFAOYSA-N 1 0 225.255 1.706 40 0 BDABRO C[C@@](O)(C1CCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000242575019 388399380 /nfs/dbraw/zinc/39/93/80/388399380.db2.gz NOVWYCUQKFQOHT-NWDGAFQWSA-N 1 0 213.321 1.306 40 0 BDABRO C([C@@H]1CCCO1)N1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000242543339 388399400 /nfs/dbraw/zinc/39/94/00/388399400.db2.gz JXGJYHMXVRWTCW-AVGNSLFASA-N 1 0 224.348 1.382 40 0 BDABRO C[C@@H]([NH3+])CN1CCCC[C@H]1c1cccnc1 ZINC000242701702 388400876 /nfs/dbraw/zinc/40/08/76/388400876.db2.gz WKYAMPGIQNSEHE-YPMHNXCESA-N 1 0 219.332 1.956 40 0 BDABRO Cc1ccnc(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000040434992 388415570 /nfs/dbraw/zinc/41/55/70/388415570.db2.gz XMIPYVFIOAREHG-LLVKDONJSA-N 1 0 206.289 1.768 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000242688346 388623843 /nfs/dbraw/zinc/62/38/43/388623843.db2.gz VNJDWHIKXSJJGX-RYUDHWBXSA-N 1 0 219.284 1.505 40 0 BDABRO Cn1ncc2c1C[NH2+]C[C@H]2COc1cccnc1 ZINC000306129130 388629636 /nfs/dbraw/zinc/62/96/36/388629636.db2.gz HVJABHRJGBLZBQ-JTQLQIEISA-N 1 0 244.298 1.081 40 0 BDABRO c1ccc(OC[C@@]23CCCO[C@@H]2CC[NH2+]C3)nc1 ZINC000306124161 388629732 /nfs/dbraw/zinc/62/97/32/388629732.db2.gz BHZQARMEHHZSCO-OCCSQVGLSA-N 1 0 248.326 1.619 40 0 BDABRO CC(C)(C)OC(=O)C[C@H]([NH3+])c1cccnc1 ZINC000136395751 388654031 /nfs/dbraw/zinc/65/40/31/388654031.db2.gz CXAKFVVLZRZSGA-JTQLQIEISA-N 1 0 222.288 1.813 40 0 BDABRO COc1ccc(OC)c([C@H]2C[C@@]2(C[NH3+])CO)c1 ZINC000062713391 388654830 /nfs/dbraw/zinc/65/48/30/388654830.db2.gz YECZMYYTOKQJNL-DGCLKSJQSA-N 1 0 237.299 1.129 40 0 BDABRO CCO[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000062711869 388655125 /nfs/dbraw/zinc/65/51/25/388655125.db2.gz WPMVETZAQAOUEA-LLVKDONJSA-N 1 0 209.245 1.452 40 0 BDABRO COc1cccc([C@@H]2C[C@]2(C[NH3+])CO)c1OC ZINC000062713535 388655257 /nfs/dbraw/zinc/65/52/57/388655257.db2.gz ZQDVKYSRTMLCHK-GWCFXTLKSA-N 1 0 237.299 1.129 40 0 BDABRO CCNc1ncc(C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000062717527 388655776 /nfs/dbraw/zinc/65/57/76/388655776.db2.gz KPHCHHXWPWOLAO-NSHDSACASA-N 1 0 236.319 1.177 40 0 BDABRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000079438559 388696091 /nfs/dbraw/zinc/69/60/91/388696091.db2.gz JXDZSPWVLSANIJ-NWDGAFQWSA-N 1 0 219.332 1.874 40 0 BDABRO C[NH+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000021300437 388806563 /nfs/dbraw/zinc/80/65/63/388806563.db2.gz SVFCKPUIJBZBQS-SNVBAGLBSA-N 1 0 228.336 1.805 40 0 BDABRO [NH3+]C1(CN2CCSCC2)CCCCC1 ZINC000020257429 388759645 /nfs/dbraw/zinc/75/96/45/388759645.db2.gz XWNOCDVHSRSSCR-UHFFFAOYSA-N 1 0 214.378 1.697 40 0 BDABRO CCOCCCN1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000225715793 388840230 /nfs/dbraw/zinc/84/02/30/388840230.db2.gz XMJKNXPALFVAJK-NEPJUHHUSA-N 1 0 212.337 1.239 40 0 BDABRO Cc1nc2c(c(N3CC[NH2+]CC3)n1)CCCC2 ZINC000079752350 132304033 /nfs/dbraw/zinc/30/40/33/132304033.db2.gz LWBREEXGJSHLEV-UHFFFAOYSA-N 1 0 232.331 1.073 40 0 BDABRO OCCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000001561575 132314141 /nfs/dbraw/zinc/31/41/41/132314141.db2.gz YFMBXOCLJCLTHL-UHFFFAOYSA-N 1 0 248.370 1.971 40 0 BDABRO C[C@@H]1CN(c2ncccc2Cl)CC[NH2+]1 ZINC000016697467 132323310 /nfs/dbraw/zinc/32/33/10/132323310.db2.gz ZIHUFGHPYQTYIP-MRVPVSSYSA-N 1 0 211.696 1.533 40 0 BDABRO CCN(CC)c1cc(N2CCC[C@H]([NH3+])C2)ncn1 ZINC000040434359 132347587 /nfs/dbraw/zinc/34/75/87/132347587.db2.gz HNTDVXCZODVPAX-NSHDSACASA-N 1 0 249.362 1.250 40 0 BDABRO Cc1cnc(N2CC[NH2+]C[C@@H]2C)nc1Cl ZINC000072203383 132396334 /nfs/dbraw/zinc/39/63/34/132396334.db2.gz WARAGHFHVBJBJC-QMMMGPOBSA-N 1 0 226.711 1.237 40 0 BDABRO Cc1nc([C@H]2CCC[NH2+]2)nc2c1CCC(=O)N2C ZINC000072352949 132396603 /nfs/dbraw/zinc/39/66/03/132396603.db2.gz ZRPPUBSXLZJVKP-SNVBAGLBSA-N 1 0 246.314 1.119 40 0 BDABRO C[C@H]1CCCCN1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080992941 135385151 /nfs/dbraw/zinc/38/51/51/135385151.db2.gz MGYVWEJCZQKKAB-RYUDHWBXSA-N 1 0 224.348 1.920 40 0 BDABRO c1cc2cnccc2c(N2CC[NH2+]CC2)c1 ZINC000026895985 397961446 /nfs/dbraw/zinc/96/14/46/397961446.db2.gz MUBNVVQOLQPCFS-UHFFFAOYSA-N 1 0 213.284 1.644 40 0 BDABRO CCC[N@H+](C)C[C@H](N)Cc1ccccc1 ZINC000037098579 397968576 /nfs/dbraw/zinc/96/85/76/397968576.db2.gz HCZKBZPJMAJMJM-CYBMUJFWSA-N 1 0 206.333 1.898 40 0 BDABRO CCc1ccc(NC(=O)CN2CC[NH2+]CC2)cc1 ZINC000023291862 397978819 /nfs/dbraw/zinc/97/88/19/397978819.db2.gz HMTXDNJHGKLJOF-UHFFFAOYSA-N 1 0 247.342 1.093 40 0 BDABRO COCC[NH2+]Cc1cccn1CC(C)C ZINC000085584207 174336241 /nfs/dbraw/zinc/33/62/41/174336241.db2.gz UMNMTTTVLVEOCM-UHFFFAOYSA-N 1 0 210.321 1.880 40 0 BDABRO CC(C)[NH2+]C[C@H](O)COc1ccc(O)cc1 ZINC000000897007 167115439 /nfs/dbraw/zinc/11/54/39/167115439.db2.gz ADUKCCWBEDSMEB-NSHDSACASA-N 1 0 225.288 1.130 40 0 in-man BDABRO CC(C)[NH2+]C[C@@H](O)COC(=O)c1cccs1 ZINC000001617767 167110796 /nfs/dbraw/zinc/11/07/96/167110796.db2.gz NSOWWSRAVDMEOZ-SECBINFHSA-N 1 0 243.328 1.264 40 0 BDABRO CC(C)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000048326640 167121095 /nfs/dbraw/zinc/12/10/95/167121095.db2.gz PBUUOCYOSUMZMU-UHFFFAOYSA-N 1 0 220.320 1.575 40 0 BDABRO CC(C)c1ncc2c(n1)C[C@H]1CC[C@@H]2[NH2+]1 ZINC000019454261 167686757 /nfs/dbraw/zinc/68/67/57/167686757.db2.gz KZJGCZHUEZWMEL-SCZZXKLOSA-N 1 0 203.289 1.949 40 0 BDABRO C[NH+](C)C[C@@H]1COc2ccccc2[C@H]1N ZINC000062702162 411220452 /nfs/dbraw/zinc/22/04/52/411220452.db2.gz GHGQETRMMUTEAD-SKDRFNHKSA-N 1 0 206.289 1.257 40 0 BDABRO CSCc1cccc(N2CC[NH2+]CC2)c1 ZINC000062701968 411220587 /nfs/dbraw/zinc/22/05/87/411220587.db2.gz QETWUAWTGLABSE-UHFFFAOYSA-N 1 0 222.357 1.959 40 0 BDABRO COC[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000395959660 411255688 /nfs/dbraw/zinc/25/56/88/411255688.db2.gz PJPOQKVMAIYGSG-NWDGAFQWSA-N 1 0 240.347 1.014 40 0 BDABRO CC1CCN([C@H](C[NH3+])c2cccnc2)CC1 ZINC000019771667 168188020 /nfs/dbraw/zinc/18/80/20/168188020.db2.gz FHSGAHODISKNAP-CYBMUJFWSA-N 1 0 219.332 1.813 40 0 BDABRO CC[N@@H+]1CC[C@H](c2ccnc(N(C)C)n2)C1 ZINC000072361099 170024334 /nfs/dbraw/zinc/02/43/34/170024334.db2.gz PHBWQNKIZJHVOU-JTQLQIEISA-N 1 0 220.320 1.352 40 0 BDABRO CCN1Cc2c(Cn3cccc3)nn(C)c2C1 ZINC000096084473 170040887 /nfs/dbraw/zinc/04/08/87/170040887.db2.gz XDMXTKVWXFLSQY-UHFFFAOYSA-N 1 0 230.315 1.605 40 0 BDABRO CC[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000001672727 170109596 /nfs/dbraw/zinc/10/95/96/170109596.db2.gz IVIFKUABYBYWCX-UHFFFAOYSA-N 1 0 212.680 1.888 40 0 BDABRO CC[NH2+]C[C@@H](O)c1ncccc1Br ZINC000217529783 170120223 /nfs/dbraw/zinc/12/02/23/170120223.db2.gz AZZDBMOKRAXVJB-MRVPVSSYSA-N 1 0 245.120 1.487 40 0 BDABRO CC[NH2+]C[C@@H]1COc2cccc(OCC)c2O1 ZINC000005340838 170120902 /nfs/dbraw/zinc/12/09/02/170120902.db2.gz WYTWFSUJPMHZBN-SNVBAGLBSA-N 1 0 237.299 1.835 40 0 BDABRO CC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000072226107 170125553 /nfs/dbraw/zinc/12/55/53/170125553.db2.gz BIANAEGCOVKGQC-UHFFFAOYSA-N 1 0 207.199 1.548 40 0 BDABRO CC[NH2+][C@H]1C(C)=N[C@H]2C[C@@H](C(=O)OC)CC[C@H]12 ZINC000096305879 170165627 /nfs/dbraw/zinc/16/56/27/170165627.db2.gz PLYJHDWWKOTOCG-BJDJZHNGSA-N 1 0 238.331 1.397 40 0 BDABRO CCOCCC[NH2+]Cc1ccn(CC)n1 ZINC000256054131 170381283 /nfs/dbraw/zinc/38/12/83/170381283.db2.gz VAUKKENUGLRULH-UHFFFAOYSA-N 1 0 211.309 1.419 40 0 BDABRO CCS(=O)(=O)[C@H]1[C@@H](c2ccccc2)[C@H]1C[NH3+] ZINC000218026320 170622357 /nfs/dbraw/zinc/62/23/57/170622357.db2.gz MAIWNDTZASVJOM-GRYCIOLGSA-N 1 0 239.340 1.162 40 0 BDABRO C[C@@H]1C[C@@H]2C=CC=C[C@H]2[N@@H+]1Cc1cc(N)nn1C ZINC000408716628 411911294 /nfs/dbraw/zinc/91/12/94/411911294.db2.gz OZGNYYJORXTVMQ-NTZNESFSSA-N 1 0 244.342 1.707 40 0 BDABRO CC[C@H](C(=O)OC)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022123208 171242086 /nfs/dbraw/zinc/24/20/86/171242086.db2.gz JDLXWZOSNRKHLR-GMTAPVOTSA-N 1 0 213.321 1.916 40 0 BDABRO CCn1cc(C[NH2+]Cc2c(C)cnn2CC)cn1 ZINC000256049899 172172913 /nfs/dbraw/zinc/17/29/13/172172913.db2.gz BXLXRKAMQRGMIV-UHFFFAOYSA-N 1 0 247.346 1.718 40 0 BDABRO CCn1ccc(C[NH2+]C[C@H]2CCCO2)n1 ZINC000256051363 172200909 /nfs/dbraw/zinc/20/09/09/172200909.db2.gz IWHHWWOPBZJOPF-LLVKDONJSA-N 1 0 209.293 1.172 40 0 BDABRO CCn1ncc(-c2cc(C[NH3+])on2)c1C ZINC000035655516 172251266 /nfs/dbraw/zinc/25/12/66/172251266.db2.gz VPIYELMJJQEAFL-UHFFFAOYSA-N 1 0 206.249 1.325 40 0 BDABRO CN(CCC[NH3+])C(=O)OCc1ccccc1 ZINC000039952142 172703572 /nfs/dbraw/zinc/70/35/72/172703572.db2.gz LRBGQVXSNFGHAY-UHFFFAOYSA-N 1 0 222.288 1.604 40 0 BDABRO C[N@@H+]1CCC[C@H](c2cccc(CCC(N)=O)n2)C1 ZINC000072382826 173048808 /nfs/dbraw/zinc/04/88/08/173048808.db2.gz MSRLADFHGGCKBK-NSHDSACASA-N 1 0 247.342 1.309 40 0 BDABRO C[N@@H+]1CCC[C@H]1c1cncc(-n2ccnc2)n1 ZINC000257312722 173057892 /nfs/dbraw/zinc/05/78/92/173057892.db2.gz UPGQRBODTWHSLA-NSHDSACASA-N 1 0 229.287 1.429 40 0 BDABRO C[NH+]1CCN(CCOc2cccc(C=O)c2)CC1 ZINC000031977631 173082149 /nfs/dbraw/zinc/08/21/49/173082149.db2.gz VUJSEKOVNTXOJD-UHFFFAOYSA-N 1 0 248.326 1.125 40 0 BDABRO CN1CC[NH+](C[C@@H]2Cc3ccccc3N2)CC1 ZINC000096524012 173086122 /nfs/dbraw/zinc/08/61/22/173086122.db2.gz HJSYJQQKBBGARB-ZDUSSCGKSA-N 1 0 231.343 1.271 40 0 BDABRO C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccsc1 ZINC000096184221 173135207 /nfs/dbraw/zinc/13/52/07/173135207.db2.gz XEKPUNYYKRHQAB-WDEREUQCSA-N 1 0 236.340 1.667 40 0 BDABRO C[N@@H+]1CC[C@H]2COC(=O)N2c2ccccc2C1 ZINC000225481994 173163167 /nfs/dbraw/zinc/16/31/67/173163167.db2.gz XLFPWJUZPCNTQS-NSHDSACASA-N 1 0 232.283 1.847 40 0 biogenic,in-vitro BDABRO CN1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]12 ZINC000248111886 173168497 /nfs/dbraw/zinc/16/84/97/173168497.db2.gz HMPCVUFHIWQIKI-KGLIPLIRSA-N 1 0 216.328 1.622 40 0 BDABRO CN1C[C@@H](c2ccccc2)C2(CC[NH2+]CC2)C1=O ZINC000044137224 173187745 /nfs/dbraw/zinc/18/77/45/173187745.db2.gz XTFHTONEBIPPKW-ZDUSSCGKSA-N 1 0 244.338 1.612 40 0 BDABRO C[NH2+]C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC000091692921 173323760 /nfs/dbraw/zinc/32/37/60/173323760.db2.gz SSLHAXMFLXPQSV-JVHMLUBASA-N 1 0 212.293 1.071 40 0 BDABRO C[NH2+]CC(=O)N1CC[C@@]2(C)C[C@H](OC)CC[C@@H]12 ZINC000257313503 173327539 /nfs/dbraw/zinc/32/75/39/173327539.db2.gz USVICVFASPNQCZ-WZRBSPASSA-N 1 0 240.347 1.012 40 0 BDABRO C[NH2+]CCc1cc(OC)c(OC)c(OC)c1 ZINC000001531060 173359440 /nfs/dbraw/zinc/35/94/40/173359440.db2.gz OTXANOLOOUNVSR-UHFFFAOYSA-N 1 0 225.288 1.474 40 0 biogenic,in-vitro BDABRO C[NH2+]C[C@H]1CCCC[C@@]1(O)c1cccc(O)c1 ZINC000006452403 173378516 /nfs/dbraw/zinc/37/85/16/173378516.db2.gz CJXNQQLTDXASSR-TZMCWYRMSA-N 1 0 235.327 1.989 40 0 BDABRO COc1cc2c(c3c1OCO3)CC[NH2+]C2 ZINC000261829796 175020407 /nfs/dbraw/zinc/02/04/07/175020407.db2.gz QPZXHRNEWDSGAA-UHFFFAOYSA-N 1 0 207.229 1.070 40 0 BDABRO COc1cc2c(cc1O)CC[N@H+](C)[C@@H]2C ZINC000002005067 175023104 /nfs/dbraw/zinc/02/31/04/175023104.db2.gz BQWXVEGUQMSXOH-MRVPVSSYSA-N 1 0 207.273 1.950 40 0 BDABRO COc1cc2c(cc1OC)C(CC[NH3+])=NCC2 ZINC000003954444 175024156 /nfs/dbraw/zinc/02/41/56/175024156.db2.gz FTTGFTOQWXLSSZ-UHFFFAOYSA-N 1 0 234.299 1.398 40 0 in-vitro BDABRO COc1cc2c(cc1OC)[C@H](CC[NH3+])[NH2+]CC2 ZINC000031947586 175025705 /nfs/dbraw/zinc/02/57/05/175025705.db2.gz YJXPOXONGWGWNK-NSHDSACASA-N 1 0 236.315 1.239 40 0 BDABRO COc1ccc(-c2nnc([C@H](C)[NH3+])[nH]2)cc1OC ZINC000061843986 175037602 /nfs/dbraw/zinc/03/76/02/175037602.db2.gz NRGOWBJGEOYKJB-ZETCQYMHSA-N 1 0 248.286 1.509 40 0 BDABRO COc1ccc(-c2nnc([C@@H](C)[NH3+])[nH]2)cc1 ZINC000061843971 175037709 /nfs/dbraw/zinc/03/77/09/175037709.db2.gz ZABUVSRNJDAUSV-SSDOTTSWSA-N 1 0 218.260 1.500 40 0 BDABRO COc1ccc(CC[NH2+][C@H]2CCCNC2)cc1 ZINC000043323984 175092769 /nfs/dbraw/zinc/09/27/69/175092769.db2.gz OPGHXKVZVJJUIO-ZDUSSCGKSA-N 1 0 234.343 1.579 40 0 BDABRO COc1ccc(N[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000218875008 175155701 /nfs/dbraw/zinc/15/57/01/175155701.db2.gz XXDNHQXVLGQASR-NEPJUHHUSA-N 1 0 206.289 1.987 40 0 BDABRO COc1ccc(OC)c([C@@H]2C[C@@H]2C[NH3+])c1 ZINC000041215833 175167949 /nfs/dbraw/zinc/16/79/49/175167949.db2.gz VDXXDEUJMOZAFE-PSASIEDQSA-N 1 0 207.273 1.766 40 0 BDABRO COc1ccc(OC)c([C@H]2C[C@H]2C[NH3+])c1 ZINC000041215839 175169602 /nfs/dbraw/zinc/16/96/02/175169602.db2.gz VDXXDEUJMOZAFE-WPRPVWTQSA-N 1 0 207.273 1.766 40 0 BDABRO COc1ccc([C@@H]2C[C@@]2(C[NH3+])CO)c(OC)c1 ZINC000062713436 175185503 /nfs/dbraw/zinc/18/55/03/175185503.db2.gz CBWDXNOKMLDGHE-WCQYABFASA-N 1 0 237.299 1.129 40 0 BDABRO COc1ccc([C@H](O)C[NH+](C)C)cc1OC ZINC000005958035 175193385 /nfs/dbraw/zinc/19/33/85/175193385.db2.gz YAIPYAQVBZPSSC-SNVBAGLBSA-N 1 0 225.288 1.299 40 0 BDABRO COc1ccc([C@H]2C[N@H+](C)C[C@@H]2CO)cc1 ZINC000217673951 175195950 /nfs/dbraw/zinc/19/59/50/175195950.db2.gz KUYYGVJYJPSSMR-DGCLKSJQSA-N 1 0 221.300 1.333 40 0 BDABRO COc1ccc2c(c1)C1(CO2)CC[NH2+]CC1 ZINC000216076040 175206432 /nfs/dbraw/zinc/20/64/32/175206432.db2.gz AAXNLYYALPYPCW-UHFFFAOYSA-N 1 0 219.284 1.709 40 0 BDABRO COc1ccc2c(c1)[C@H]1OCC[NH2+][C@H]1CC2 ZINC000001611848 175216854 /nfs/dbraw/zinc/21/68/54/175216854.db2.gz ZBQMPCXNGKZCPK-QWHCGFSZSA-N 1 0 219.284 1.671 40 0 BDABRO COc1ccc2c(c1)[C@@]1(C[C@@H]1C[NH3+])CCO2 ZINC000218686735 175217005 /nfs/dbraw/zinc/21/70/05/175217005.db2.gz QMZABYYYCUVKLH-NOZJJQNGSA-N 1 0 219.284 1.694 40 0 BDABRO COc1cccc(N[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000218876096 175280134 /nfs/dbraw/zinc/28/01/34/175280134.db2.gz PIYNVKHKNJOAOO-NWDGAFQWSA-N 1 0 206.289 1.987 40 0 BDABRO COc1cccc([C@H]2C[NH2+]CCCN2)c1 ZINC000022015867 175295589 /nfs/dbraw/zinc/29/55/89/175295589.db2.gz VRYOISCBTBWRJF-GFCCVEGCSA-N 1 0 206.289 1.319 40 0 BDABRO C[C@@H](c1cnccn1)N(C)[C@H]1CCC[NH2+]C1 ZINC000095068178 176035391 /nfs/dbraw/zinc/03/53/91/176035391.db2.gz LLZIMHNFJBPJTN-QWRGUYRKSA-N 1 0 220.320 1.221 40 0 BDABRO C[C@@H](c1nccs1)N(C)C1CC[NH2+]CC1 ZINC000095068198 176038991 /nfs/dbraw/zinc/03/89/91/176038991.db2.gz PLNOKRIRHKKBFF-VIFPVBQESA-N 1 0 225.361 1.888 40 0 BDABRO C[C@@H](c1nccs1)N1CCC[C@H](O)C1 ZINC000043220357 176039518 /nfs/dbraw/zinc/03/95/18/176039518.db2.gz JOPMEOYAIBKDPT-IUCAKERBSA-N 1 0 212.318 1.661 40 0 BDABRO C[C@@H](c1nccs1)N(CC[NH3+])C1CC1 ZINC000079436106 176039732 /nfs/dbraw/zinc/03/97/32/176039732.db2.gz FHQBHSFNOVWZLO-QMMMGPOBSA-N 1 0 211.334 1.627 40 0 BDABRO C[C@@H]1CC[NH2+]C[C@@H]1CNC(=O)OC(C)(C)C ZINC000084237604 176185314 /nfs/dbraw/zinc/18/53/14/176185314.db2.gz RNFPBXPQIJEINV-NXEZZACHSA-N 1 0 228.336 1.757 40 0 BDABRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2)CC[NH2+]1 ZINC000067801392 176241531 /nfs/dbraw/zinc/24/15/31/176241531.db2.gz IGXKBRIICHRCSE-ABZNLYFFSA-N 1 0 230.311 1.520 40 0 BDABRO C[C@@H]1CN(C(=O)c2ccccc2F)CC[NH2+]1 ZINC000062611002 176262632 /nfs/dbraw/zinc/26/26/32/176262632.db2.gz JMPHPVAUNKWEBF-SECBINFHSA-N 1 0 222.263 1.260 40 0 BDABRO C[C@@H]1C[C@@H]1C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC000096075379 176384511 /nfs/dbraw/zinc/38/45/11/176384511.db2.gz MAGYHAFKSNABKM-MNOVXSKESA-N 1 0 222.332 1.387 40 0 BDABRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000100191354 177043509 /nfs/dbraw/zinc/04/35/09/177043509.db2.gz CCCKFMGXAZWYAU-VXGBXAGGSA-N 1 0 220.316 1.847 40 0 BDABRO C[C@H](c1cnccn1)N1CCC[C@H](C[NH3+])C1 ZINC000070026277 177050809 /nfs/dbraw/zinc/05/08/09/177050809.db2.gz HIOUSJAYXATCKX-GHMZBOCLSA-N 1 0 220.320 1.208 40 0 BDABRO C[C@H]1CC[NH2+]C[C@H]1CNC(=O)OC(C)(C)C ZINC000084237609 177174722 /nfs/dbraw/zinc/17/47/22/177174722.db2.gz RNFPBXPQIJEINV-UWVGGRQHSA-N 1 0 228.336 1.757 40 0 BDABRO C[C@H]1CN(C(=O)c2cccs2)CC[NH2+]1 ZINC000062570279 177228878 /nfs/dbraw/zinc/22/88/78/177228878.db2.gz INPAQAZBWHBBTA-QMMMGPOBSA-N 1 0 210.302 1.182 40 0 BDABRO Clc1ccccc1CN[C@@H]1CC[NH2+]C1 ZINC000072202838 487995215 /nfs/dbraw/zinc/99/52/15/487995215.db2.gz WQUXRRLSOUZDQR-SNVBAGLBSA-N 1 0 210.708 1.792 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)s1 ZINC000206285641 488075337 /nfs/dbraw/zinc/07/53/37/488075337.db2.gz PURARSDHSLTWJZ-RQJHMYQMSA-N 1 0 245.731 1.878 40 0 BDABRO CCCn1nccc1C[NH2+]Cc1cnn(C)c1C ZINC000020349878 521672812 /nfs/dbraw/zinc/67/28/12/521672812.db2.gz GEBCDMWPKQORCU-UHFFFAOYSA-N 1 0 247.346 1.625 40 0 BDABRO COC(=O)c1cc(C(=O)OC)cc([C@H](C)[NH3+])c1 ZINC000228974653 521819133 /nfs/dbraw/zinc/81/91/33/521819133.db2.gz AETFCPJJGSTTHP-ZETCQYMHSA-N 1 0 237.255 1.280 40 0 BDABRO CCn1cc(C[NH2+]Cc2cnn(CC)c2)cn1 ZINC000020349888 523382890 /nfs/dbraw/zinc/38/28/90/523382890.db2.gz FPVWQNSXUOQGRG-UHFFFAOYSA-N 1 0 233.319 1.409 40 0 BDABRO C[C@H]1[C@H]([NH3+])C(=O)N1c1cccc(Cl)c1 ZINC000225776492 525105516 /nfs/dbraw/zinc/10/55/16/525105516.db2.gz JJYBUGWEEYVSCD-RCOVLWMOSA-N 1 0 210.664 1.402 40 0 BDABRO C[C@@H]1[C@@H]([NH3+])C(=O)N1c1cccc(Cl)c1 ZINC000225776429 525661264 /nfs/dbraw/zinc/66/12/64/525661264.db2.gz JJYBUGWEEYVSCD-HZGVNTEJSA-N 1 0 210.664 1.402 40 0 BDABRO COc1ccc2[nH+]c(N(C)N)ccc2c1 ZINC000199546908 525666562 /nfs/dbraw/zinc/66/65/62/525666562.db2.gz JKAJAJHFACJHQV-UHFFFAOYSA-N 1 0 203.245 1.553 40 0 BDABRO COc1ccccc1N1[C@H](C)C[NH2+]C[C@H]1C ZINC000011632706 537076666 /nfs/dbraw/zinc/07/66/66/537076666.db2.gz PMERMTHNCBOXDU-GHMZBOCLSA-N 1 0 220.316 1.882 40 0 BDABRO Cc1cn(-c2ccccn2)c(C[NH3+])c(C)c1=O ZINC001267971629 960613268 /nfs/dbraw/zinc/61/32/68/960613268.db2.gz KYGOATAWMYICGP-UHFFFAOYSA-N 1 0 229.283 1.308 40 0 BDABRO Cc1cc(CN2CC[C@H]3C[NH2+]C[C@H]32)oc1C ZINC000096054111 178002938 /nfs/dbraw/zinc/00/29/38/178002938.db2.gz SCGVGVAVQUFBJD-WCQYABFASA-N 1 0 220.316 1.690 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccc(C(N)=O)n1 ZINC000072379392 343979945 /nfs/dbraw/zinc/97/99/45/343979945.db2.gz LMGQXJFAAKNEQI-CYBMUJFWSA-N 1 0 247.342 1.973 40 0 BDABRO Cc1cc(N(C)C)nc(C2CC[NH+](C)CC2)n1 ZINC000072187681 178096698 /nfs/dbraw/zinc/09/66/98/178096698.db2.gz FYYWZRFGEIVNGP-UHFFFAOYSA-N 1 0 234.347 1.660 40 0 BDABRO CCOC[C@H]1C[NH2+]Cc2ncn(CC3CC3)c21 ZINC000306128940 398199905 /nfs/dbraw/zinc/19/99/05/398199905.db2.gz HOTKJQXEBQDRTD-LLVKDONJSA-N 1 0 235.331 1.516 40 0 BDABRO CCC(CC)CN1CCO[C@]2(CCC[NH2+]C2)C1 ZINC000096049049 168353396 /nfs/dbraw/zinc/35/33/96/168353396.db2.gz BCNQZMCUIPDWNB-AWEZNQCLSA-N 1 0 240.391 1.877 40 0 BDABRO Cc1cc2nc(C[NH+]3CCCCC3)cc(=O)n2o1 ZINC000015731932 178301146 /nfs/dbraw/zinc/30/11/46/178301146.db2.gz FTVBXKOVDKOADR-UHFFFAOYSA-N 1 0 247.298 1.582 40 0 BDABRO Cc1cc2cc(C[NH2+]CCO)c(=O)[nH]c2cc1C ZINC000004130521 178294670 /nfs/dbraw/zinc/29/46/70/178294670.db2.gz FDMHOMRMBFWZJK-UHFFFAOYSA-N 1 0 246.310 1.227 40 0 BDABRO Cc1ccccc1[C@@](C)(CO)[NH+]1CCOCC1 ZINC000070453408 259313759 /nfs/dbraw/zinc/31/37/59/259313759.db2.gz TYKBWVYDHMWKMJ-CQSZACIVSA-N 1 0 235.327 1.535 40 0 BDABRO CCC[NH2+][C@@H](C)C(=O)c1ccc2c(c1)OCO2 ZINC000213999023 349573862 /nfs/dbraw/zinc/57/38/62/349573862.db2.gz YFVKHKCZBSGZPE-VIFPVBQESA-N 1 0 235.283 1.986 40 0 in-vitro BDABRO CC[C@H]([NH2+]C)[C@H](C)NC(=O)OC(C)(C)C ZINC000072207610 259315337 /nfs/dbraw/zinc/31/53/37/259315337.db2.gz WIMPVGZRKLLUJS-IUCAKERBSA-N 1 0 216.325 1.898 40 0 BDABRO CO[C@@H](CN(C)C)C(Cl)(Cl)Cl ZINC000001557940 342702851 /nfs/dbraw/zinc/70/28/51/342702851.db2.gz CHUOBFXMRRDKOO-YFKPBYRVSA-N 1 0 220.527 1.933 40 0 BDABRO O=S1(=O)C[C@]2(N3CCCCC3)CCCC[C@@H]21 ZINC000001725414 342711303 /nfs/dbraw/zinc/71/13/03/342711303.db2.gz OOLYUTFOHFXSLT-NWDGAFQWSA-N 1 0 243.372 1.582 40 0 BDABRO O=C(CC[N@H+]1CCC[C@@H](O)C1)c1ccccc1 ZINC000038438516 398279510 /nfs/dbraw/zinc/27/95/10/398279510.db2.gz VZBUWWZRBXHVJA-CYBMUJFWSA-N 1 0 233.311 1.716 40 0 BDABRO CC[NH+](CC)CCNC(=O)NC1CCCCC1 ZINC000002472069 342720875 /nfs/dbraw/zinc/72/08/75/342720875.db2.gz DNWRAYYUHPMMJM-UHFFFAOYSA-N 1 0 241.379 1.960 40 0 BDABRO CC(C)(C)[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC000005685914 342768471 /nfs/dbraw/zinc/76/84/71/342768471.db2.gz NIRBSBIPCFQJSG-UHFFFAOYSA-N 1 0 249.314 1.112 40 0 BDABRO C[N@H+](CCO)CC[C@@H]1COc2ccccc2O1 ZINC000005940997 342771771 /nfs/dbraw/zinc/77/17/71/342771771.db2.gz RLTYCLLSHWGJIQ-LLVKDONJSA-N 1 0 237.299 1.141 40 0 BDABRO CCN(CC)c1cc(C)c(CCO)c[nH+]1 ZINC000072223275 259320749 /nfs/dbraw/zinc/32/07/49/259320749.db2.gz KEWQJFPBPWAZOR-UHFFFAOYSA-N 1 0 208.305 1.771 40 0 BDABRO Cc1cc(N2CCCCC2)[nH+]cc1CCO ZINC000072223512 259321625 /nfs/dbraw/zinc/32/16/25/259321625.db2.gz BQPNHIIEYCMAGN-UHFFFAOYSA-N 1 0 220.316 1.915 40 0 BDABRO CC(C)(C)OC(=O)N1CC([C@H]([NH3+])C2CC2)C1 ZINC000214622744 342837924 /nfs/dbraw/zinc/83/79/24/342837924.db2.gz KQZAAPBUVSKOCQ-SNVBAGLBSA-N 1 0 226.320 1.591 40 0 BDABRO Clc1ccc(OC[C@H]2C[NH2+]CCO2)cc1 ZINC000011587420 342841637 /nfs/dbraw/zinc/84/16/37/342841637.db2.gz ILWYNRKIVGWHEG-LLVKDONJSA-N 1 0 227.691 1.707 40 0 BDABRO COC(=O)C[C@H](C[NH3+])c1cccc(F)c1 ZINC000062702180 398302502 /nfs/dbraw/zinc/30/25/02/398302502.db2.gz HJMHJOXGYHJIBG-SECBINFHSA-N 1 0 211.236 1.431 40 0 BDABRO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)[C@H](c2ccccc2)N1 ZINC000113385860 398308253 /nfs/dbraw/zinc/30/82/53/398308253.db2.gz IZJYHJBPCFWESU-XQQFMLRXSA-N 1 0 248.326 1.193 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000016082894 342906023 /nfs/dbraw/zinc/90/60/23/342906023.db2.gz DHNONVNQXOJHJT-GHMZBOCLSA-N 1 0 223.247 1.302 40 0 BDABRO C[N@@H+]1C[C@H](CO)[C@H](c2ccc3c(c2)OCO3)C1 ZINC000217674139 398322726 /nfs/dbraw/zinc/32/27/26/398322726.db2.gz SWAUYCLOTDOUDN-MNOVXSKESA-N 1 0 235.283 1.053 40 0 BDABRO COc1c(C)cnc(CN2CCC([NH3+])CC2)c1C ZINC000019844381 342959267 /nfs/dbraw/zinc/95/92/67/342959267.db2.gz NZGDYSUBBFFPPB-UHFFFAOYSA-N 1 0 249.358 1.630 40 0 BDABRO O=C1C=C2C=C[C@H]3C[C@]2(O1)[C@H]1CCCC[N@@H+]31 ZINC000020806886 342995139 /nfs/dbraw/zinc/99/51/39/342995139.db2.gz SWZMSZQQJRKFBP-DMDPSCGWSA-N 1 0 217.268 1.405 40 0 biogenic,in-vitro BDABRO O=C(CC[C@H]1CCC[NH2+]C1)N1CCCC1 ZINC000036757287 349741970 /nfs/dbraw/zinc/74/19/70/349741970.db2.gz AAJATTGJAMLLDW-LLVKDONJSA-N 1 0 210.321 1.389 40 0 BDABRO CC[C@@H](C(=O)OC)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022123212 343040388 /nfs/dbraw/zinc/04/03/88/343040388.db2.gz JDLXWZOSNRKHLR-MXWKQRLJSA-N 1 0 213.321 1.916 40 0 BDABRO C[NH2+][C@H](CO)c1ccc(OC(F)(F)F)cc1 ZINC000038121252 259344239 /nfs/dbraw/zinc/34/42/39/259344239.db2.gz UNYVLNYMQQMEHA-SECBINFHSA-N 1 0 235.205 1.838 40 0 BDABRO O=C(c1cccc(F)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000033426483 343253890 /nfs/dbraw/zinc/25/38/90/343253890.db2.gz JINVHUHPWPYUSO-CQSZACIVSA-N 1 0 248.301 1.651 40 0 BDABRO COC(=O)[C@H](C)C[NH2+]Cc1ccccc1OC ZINC000035133619 343286318 /nfs/dbraw/zinc/28/63/18/343286318.db2.gz GZDXTCZEQXKDHF-SNVBAGLBSA-N 1 0 237.299 1.594 40 0 BDABRO COC(=O)C[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000035748015 343303337 /nfs/dbraw/zinc/30/33/37/343303337.db2.gz IQXWTNLRCXSYSS-SNVBAGLBSA-N 1 0 237.299 1.736 40 0 BDABRO COC(=O)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC000035748253 343303354 /nfs/dbraw/zinc/30/33/54/343303354.db2.gz IAXUABQEBZQZRK-LLVKDONJSA-N 1 0 221.300 1.770 40 0 BDABRO COC(=O)C[C@H](C)[NH2+]Cc1cccs1 ZINC000035749239 343304060 /nfs/dbraw/zinc/30/40/60/343304060.db2.gz UDWMYASFVDNWLR-QMMMGPOBSA-N 1 0 213.302 1.789 40 0 BDABRO CC(C)N(Cc1ccccn1)C(=O)[C@H](C)[NH3+] ZINC000037817123 343313536 /nfs/dbraw/zinc/31/35/36/343313536.db2.gz JJIVXQCQYJIWNN-JTQLQIEISA-N 1 0 221.304 1.166 40 0 BDABRO O=C(CC1CCCC1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000037865202 343358866 /nfs/dbraw/zinc/35/88/66/343358866.db2.gz NTNTVAWHCDPHIW-NWDGAFQWSA-N 1 0 222.332 1.387 40 0 BDABRO CC(C)(C)OC(=O)NC1(CC[NH3+])CC1 ZINC000039091280 343382105 /nfs/dbraw/zinc/38/21/05/343382105.db2.gz BPTZBLNXMXSNFR-UHFFFAOYSA-N 1 0 200.282 1.393 40 0 BDABRO CCN(Cc1cccc(OC)c1)C(=O)[C@H](C)[NH3+] ZINC000079420902 343400718 /nfs/dbraw/zinc/40/07/18/343400718.db2.gz ITANQQUULNRCKH-JTQLQIEISA-N 1 0 236.315 1.391 40 0 BDABRO C[C@@H](C[NH2+]C[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000047219086 343559614 /nfs/dbraw/zinc/55/96/14/343559614.db2.gz MDPGJIQDPHAHST-QWRGUYRKSA-N 1 0 243.347 1.733 40 0 BDABRO C[C@@H](C[NH2+]C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000047219088 343559760 /nfs/dbraw/zinc/55/97/60/343559760.db2.gz MDPGJIQDPHAHST-WDEREUQCSA-N 1 0 243.347 1.733 40 0 BDABRO CC[NH2+][C@@H]1C(C)=N[C@@H]2C[C@H](C(=O)OC)CC[C@@H]21 ZINC000247963397 343721248 /nfs/dbraw/zinc/72/12/48/343721248.db2.gz PLYJHDWWKOTOCG-WRWGMCAJSA-N 1 0 238.331 1.397 40 0 BDABRO C[C@H]([NH3+])c1ccc(-c2ccncc2)[nH]c1=O ZINC000253536062 349853495 /nfs/dbraw/zinc/85/34/95/349853495.db2.gz GBYDBOPSAXQUOD-QMMMGPOBSA-N 1 0 215.256 1.869 40 0 BDABRO Cc1ccc([C@@H]2C[NH2+]C[C@H]2CO)c(Cl)c1 ZINC000409423325 343815402 /nfs/dbraw/zinc/81/54/02/343815402.db2.gz PVACWABOXZEMMN-GXSJLCMTSA-N 1 0 225.719 1.944 40 0 BDABRO CN(C)c1ccc([C@@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC000396806279 343811014 /nfs/dbraw/zinc/81/10/14/343811014.db2.gz FWCOBNPVVOGNSG-YPMHNXCESA-N 1 0 220.316 1.048 40 0 BDABRO NC(=[NH2+])c1cccn2c3c(nc12)CCC3 ZINC000409440471 343852222 /nfs/dbraw/zinc/85/22/22/343852222.db2.gz LETJEKICFCZVGO-UHFFFAOYSA-N 1 0 200.245 1.107 40 0 BDABRO [NH3+]CCCc1cnn(CC2CCCC2)c1 ZINC000575623293 343875476 /nfs/dbraw/zinc/87/54/76/343875476.db2.gz GOHAHQMXRHGIAZ-UHFFFAOYSA-N 1 0 207.321 1.965 40 0 BDABRO c1cc2n(n1)[C@@H](COc1ccccn1)C[NH2+]C2 ZINC000585112355 344136747 /nfs/dbraw/zinc/13/67/47/344136747.db2.gz OUUQVXWWETZWMD-LLVKDONJSA-N 1 0 230.271 1.001 40 0 BDABRO CC[N@@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2C ZINC000019695466 347031675 /nfs/dbraw/zinc/03/16/75/347031675.db2.gz OMNXGBHHTILVQO-DGCLKSJQSA-N 1 0 224.348 1.872 40 0 BDABRO C[N@H+]1[C@@H]2CC[C@H]1CC(NCc1ccccn1)C2 ZINC000020523922 344457121 /nfs/dbraw/zinc/45/71/21/344457121.db2.gz XUHJBQSEWUKEAD-AGUYFDCRSA-N 1 0 231.343 1.796 40 0 BDABRO C[C@@H]([NH3+])[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000072208855 344511400 /nfs/dbraw/zinc/51/14/00/344511400.db2.gz CABIRYRCSXLJTD-HRDYMLBCSA-N 1 0 232.299 1.681 40 0 BDABRO Cc1ccc(OCC(=O)OCC[NH+](C)C)cc1 ZINC000005683387 178810265 /nfs/dbraw/zinc/81/02/65/178810265.db2.gz TWLMWARUSAODST-UHFFFAOYSA-N 1 0 237.299 1.479 40 0 BDABRO Cc1ccc(S(=O)(=O)[C@H]2C[C@@H]2C[NH3+])cc1 ZINC000217990584 178826676 /nfs/dbraw/zinc/82/66/76/178826676.db2.gz HIAPVZWFYRGYFA-KOLCDFICSA-N 1 0 225.313 1.116 40 0 BDABRO Cc1ccc([C@H]2[C@H](C[NH3+])[C@@H]2S(C)(=O)=O)cc1 ZINC000218250491 178924925 /nfs/dbraw/zinc/92/49/25/178924925.db2.gz HMWLFUBGCFWOGW-SRVKXCTJSA-N 1 0 239.340 1.080 40 0 BDABRO C[NH2+][C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000307687579 345899157 /nfs/dbraw/zinc/89/91/57/345899157.db2.gz DRROTPCCFFMHNX-TXEJJXNPSA-N 1 0 234.299 1.663 40 0 BDABRO Cc1cccc(C)c1NC(=O)C[NH2+]C1CC1 ZINC000037386657 179040364 /nfs/dbraw/zinc/04/03/64/179040364.db2.gz KUFDIURIZSYIHK-UHFFFAOYSA-N 1 0 218.300 1.994 40 0 BDABRO Cc1cccc(CNC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000011958361 179087418 /nfs/dbraw/zinc/08/74/18/179087418.db2.gz LOIVQEWLPUQADU-LBPRGKRZSA-N 1 0 220.316 1.595 40 0 BDABRO Cc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]32)c1 ZINC000096186191 179082767 /nfs/dbraw/zinc/08/27/67/179082767.db2.gz WHIREDCXKRHTAY-KBPBESRZSA-N 1 0 244.338 1.848 40 0 BDABRO Cc1cccc(CN2CC[C@H]([NH3+])C2)c1C ZINC000038538730 179082790 /nfs/dbraw/zinc/08/27/90/179082790.db2.gz METRHYZPPLVDES-ZDUSSCGKSA-N 1 0 204.317 1.836 40 0 BDABRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000097759033 347285917 /nfs/dbraw/zinc/28/59/17/347285917.db2.gz LXHKJNUHNLXPDI-ZJUUUORDSA-N 1 0 228.336 1.981 40 0 BDABRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000036757353 347450327 /nfs/dbraw/zinc/45/03/27/347450327.db2.gz FODMZFCCZFAMDT-LBPRGKRZSA-N 1 0 224.348 1.779 40 0 BDABRO Cc1cccnc1Nc1nccc(C2C[NH2+]C2)n1 ZINC000257236380 179395833 /nfs/dbraw/zinc/39/58/33/179395833.db2.gz HBYGKKMILZGSQH-UHFFFAOYSA-N 1 0 241.298 1.610 40 0 BDABRO Cc1ccnc(OC[C@H]2CCC[NH2+]C2)c1 ZINC000040434993 179462817 /nfs/dbraw/zinc/46/28/17/179462817.db2.gz XMIPYVFIOAREHG-NSHDSACASA-N 1 0 206.289 1.768 40 0 BDABRO Nc1cnc(Cl)nc1NCC[NH+]1CCCC1 ZINC000038538632 348709842 /nfs/dbraw/zinc/70/98/42/348709842.db2.gz WHJCYYFLTYFJRV-UHFFFAOYSA-N 1 0 241.726 1.220 40 0 BDABRO CSc1ncc(C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000062717210 259407339 /nfs/dbraw/zinc/40/73/39/259407339.db2.gz JGOXWPKHGWCVGI-JTQLQIEISA-N 1 0 239.344 1.467 40 0 BDABRO CCNc1ncc(C[NH2+]C(C)(C)C)cn1 ZINC000062717513 259407597 /nfs/dbraw/zinc/40/75/97/259407597.db2.gz BSWWMDZHTUMVEK-UHFFFAOYSA-N 1 0 208.309 1.797 40 0 BDABRO CC(C)(C)OC(=O)n1cnc(CC[NH3+])c1 ZINC000065734925 191001749 /nfs/dbraw/zinc/00/17/49/191001749.db2.gz PLBPXSOWZJBJAF-UHFFFAOYSA-N 1 0 211.265 1.168 40 0 in-vitro BDABRO C1CC(c2noc(C3CC[NH2+]CC3)n2)C1 ZINC000083120049 191007087 /nfs/dbraw/zinc/00/70/87/191007087.db2.gz BKSWETRZHFIDLH-UHFFFAOYSA-N 1 0 207.277 1.804 40 0 BDABRO Cc1nc([C@@H]2C[NH2+]CCO2)cc(N2CCCC2)n1 ZINC000072386401 180044916 /nfs/dbraw/zinc/04/49/16/180044916.db2.gz VHSPPWBBNMXXHC-LBPRGKRZSA-N 1 0 248.330 1.046 40 0 BDABRO Cc1nc([C@@H]2CC[NH2+]C2)c2sccn12 ZINC000257260889 180045174 /nfs/dbraw/zinc/04/51/74/180045174.db2.gz LEXVMNPQIKUQID-MRVPVSSYSA-N 1 0 207.302 1.781 40 0 BDABRO Cc1nnc([C@H]([NH3+])Cc2ccccc2)[nH]1 ZINC000048630507 180052439 /nfs/dbraw/zinc/05/24/39/180052439.db2.gz HKVILAHXKCWSBA-SNVBAGLBSA-N 1 0 202.261 1.356 40 0 BDABRO Cc1nc2cc3[nH+]c(N)n(C)c3cc2nc1C ZINC000077319915 180087722 /nfs/dbraw/zinc/08/77/22/180087722.db2.gz GLLXPOZOEKDRLU-UHFFFAOYSA-N 1 0 227.271 1.716 40 0 in-vitro BDABRO C(C1CCCC1)N1CCO[C@]2(CCC[NH2+]C2)C1 ZINC000096049035 191055642 /nfs/dbraw/zinc/05/56/42/191055642.db2.gz ZUAYPYNRKUPFHA-AWEZNQCLSA-N 1 0 238.375 1.631 40 0 BDABRO O=c1c2ccccc2cnn1C[C@H]1CCC[NH2+]1 ZINC000043495954 259412237 /nfs/dbraw/zinc/41/22/37/259412237.db2.gz HYXQKGJSRJYQQF-LLVKDONJSA-N 1 0 229.283 1.149 40 0 BDABRO CCC[C@H]1SCC[N@@H+]1CCC(N)=O ZINC000033901639 350461853 /nfs/dbraw/zinc/46/18/53/350461853.db2.gz GSPYFGAIWDRMBG-SECBINFHSA-N 1 0 202.323 1.037 40 0 BDABRO Cc1noc([C@@H]2C[NH2+]C[C@H]2c2ccccn2)n1 ZINC000328579438 180497976 /nfs/dbraw/zinc/49/79/76/180497976.db2.gz IPRQZQBGJKNSAC-NXEZZACHSA-N 1 0 230.271 1.244 40 0 BDABRO Cn1c(C[NH3+])nnc1SCc1ccccc1 ZINC000005000667 180617225 /nfs/dbraw/zinc/61/72/25/180617225.db2.gz JDDUIALLKZEBHC-UHFFFAOYSA-N 1 0 234.328 1.566 40 0 BDABRO FC(F)(F)c1n[nH]c2c1[C@@H]1CC[C@H](C2)[NH2+]1 ZINC000096510271 180891566 /nfs/dbraw/zinc/89/15/66/180891566.db2.gz QZURSFJAYRUXFC-UHNVWZDZSA-N 1 0 217.194 1.778 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1Cl ZINC000011958388 188279685 /nfs/dbraw/zinc/27/96/85/188279685.db2.gz GRVJWTPBSXHZPC-NSHDSACASA-N 1 0 240.734 1.940 40 0 BDABRO C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)N1CCOCC1 ZINC000023479071 188282807 /nfs/dbraw/zinc/28/28/07/188282807.db2.gz DGSFCBWUKDGJBJ-OKILXGFUSA-N 1 0 238.375 1.441 40 0 BDABRO COc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1C ZINC000038538902 188283016 /nfs/dbraw/zinc/28/30/16/188283016.db2.gz FQIZILXRTMZPTH-LBPRGKRZSA-N 1 0 221.300 1.570 40 0 BDABRO CC(=O)N(C[C@@H]1CCCCN1CC[NH3+])C(C)C ZINC000079416824 188291994 /nfs/dbraw/zinc/29/19/94/188291994.db2.gz HOMPHCRCVGAXQC-ZDUSSCGKSA-N 1 0 241.379 1.057 40 0 BDABRO CC(C)N(CC[NH3+])Cc1nccnc1Cl ZINC000079422299 188292032 /nfs/dbraw/zinc/29/20/32/188292032.db2.gz NSHICFSXLHKQTK-UHFFFAOYSA-N 1 0 228.727 1.299 40 0 BDABRO CC(=O)N(C[C@H]1CCCCN1CC[NH3+])C(C)C ZINC000079416825 188292179 /nfs/dbraw/zinc/29/21/79/188292179.db2.gz HOMPHCRCVGAXQC-CYBMUJFWSA-N 1 0 241.379 1.057 40 0 BDABRO CC(=O)N[C@H]1CCCC[C@H]1[N@@H+](CCO)C(C)C ZINC000079405449 188292229 /nfs/dbraw/zinc/29/22/29/188292229.db2.gz KFMFJKAQLUCOSW-QWHCGFSZSA-N 1 0 242.363 1.136 40 0 BDABRO Cc1nc(N)c2ccc([C@H]3CCCC[NH2+]3)nc2n1 ZINC000072343707 188306905 /nfs/dbraw/zinc/30/69/05/188306905.db2.gz ZYGFQLMTQQGZGR-SNVBAGLBSA-N 1 0 243.314 1.730 40 0 BDABRO CC(C)(C)c1c[nH]c([C@@H]2C[NH2+]CCO2)n1 ZINC000096509808 188321489 /nfs/dbraw/zinc/32/14/89/188321489.db2.gz WLEBCFQPZBASSQ-QMMMGPOBSA-N 1 0 209.293 1.368 40 0 BDABRO CC(C)Cn1c(C[NH3+])nc2cnccc21 ZINC000095096516 188318911 /nfs/dbraw/zinc/31/89/11/188318911.db2.gz YYOYLUGUSGTLCI-UHFFFAOYSA-N 1 0 204.277 1.546 40 0 BDABRO CC(C)[NH+]1CCC(n2cccc(N)c2=O)CC1 ZINC000095097356 188319123 /nfs/dbraw/zinc/31/91/23/188319123.db2.gz KIUMRIMQPGHKNW-UHFFFAOYSA-N 1 0 235.331 1.476 40 0 BDABRO CC1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000095635110 188319890 /nfs/dbraw/zinc/31/98/90/188319890.db2.gz VBDLZQRHYJWVOO-UHFFFAOYSA-N 1 0 232.327 1.774 40 0 BDABRO Cc1nc([C@@H]2COCCN2CC2CC2)cc(=O)[nH]1 ZINC000257277053 188369547 /nfs/dbraw/zinc/36/95/47/188369547.db2.gz NWGLGGJFDVGDLE-LBPRGKRZSA-N 1 0 249.314 1.274 40 0 BDABRO CC(C)COC[C@H]1C[NH2+]Cc2ncn(C)c21 ZINC000306142346 188398623 /nfs/dbraw/zinc/39/86/23/188398623.db2.gz WWKNHYNZVVYIQH-SNVBAGLBSA-N 1 0 223.320 1.280 40 0 BDABRO Fc1ccc2c(c1)C1(CO2)CC[NH2+]CC1 ZINC000098214076 180984637 /nfs/dbraw/zinc/98/46/37/180984637.db2.gz UMBJBOOOCCMNFQ-UHFFFAOYSA-N 1 0 207.248 1.839 40 0 BDABRO Fc1cncc(-c2noc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000095096657 181019449 /nfs/dbraw/zinc/01/94/49/181019449.db2.gz NTEMKECHZRHZNI-QMMMGPOBSA-N 1 0 248.261 1.738 40 0 BDABRO Fc1cncc(-c2noc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000095096660 181019577 /nfs/dbraw/zinc/01/95/77/181019577.db2.gz RVMAHWKEJOQJBY-VIFPVBQESA-N 1 0 234.234 1.695 40 0 BDABRO [NH3+][C@H](CC(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000019440019 355331469 /nfs/dbraw/zinc/33/14/69/355331469.db2.gz DMZJZKJDHOFBDB-CHWSQXEVSA-N 1 0 248.326 1.372 40 0 BDABRO NC(=[NH2+])CCn1ccnc1-c1ccccc1 ZINC000026898097 181186331 /nfs/dbraw/zinc/18/63/31/181186331.db2.gz WOORIPAGNHODTC-UHFFFAOYSA-N 1 0 214.272 1.876 40 0 BDABRO NC(=[NH2+])NCCNc1c(Cl)cccc1Cl ZINC000001846297 181190423 /nfs/dbraw/zinc/19/04/23/181190423.db2.gz YDDRXDOPBABLRB-UHFFFAOYSA-N 1 0 247.129 1.888 40 0 in-man BDABRO NC(=[NH2+])SCC(=O)N1CCc2ccccc21 ZINC000084147494 181191169 /nfs/dbraw/zinc/19/11/69/181191169.db2.gz UQMBXIMZVGGAMI-UHFFFAOYSA-N 1 0 235.312 1.202 40 0 BDABRO CC(C)CN1c2ccccc2[C@@]2(CC[NH2+]C2)C1=O ZINC000096244818 355800596 /nfs/dbraw/zinc/80/05/96/355800596.db2.gz ZTYFYPYYTNINAI-HNNXBMFYSA-N 1 0 244.338 1.920 40 0 BDABRO NC(=O)[C@H](c1ccccc1)C1CC[NH2+]CC1 ZINC000205343111 181278553 /nfs/dbraw/zinc/27/85/53/181278553.db2.gz SVWIDMNGSODSJO-GFCCVEGCSA-N 1 0 218.300 1.255 40 0 BDABRO CC(C)[N@H+](C1CCCC1)[C@H]1CNCC[C@]1(C)O ZINC000685936085 538756424 /nfs/dbraw/zinc/75/64/24/538756424.db2.gz DIPWZUMYBYQZTB-KBPBESRZSA-N 1 0 240.391 1.752 40 0 BDABRO C[NH+](C)Cc1[nH]nc(N)c1-c1ccccc1 ZINC000026511483 357163909 /nfs/dbraw/zinc/16/39/09/357163909.db2.gz SUSXAFUYGJUZEI-UHFFFAOYSA-N 1 0 216.288 1.721 40 0 BDABRO Cc1nn(C)cc1C[NH2+]Cc1cccc(O)c1 ZINC000020352529 357339452 /nfs/dbraw/zinc/33/94/52/357339452.db2.gz CRAMOROKQIQXMW-UHFFFAOYSA-N 1 0 231.299 1.724 40 0 BDABRO [NH3+][C@H]1c2cc(Br)ccc2C[C@@H]1O ZINC000039941416 491110635 /nfs/dbraw/zinc/11/06/35/491110635.db2.gz BCTITPKCHCGPPC-IUCAKERBSA-N 1 0 228.089 1.366 40 0 BDABRO [NH3+][C@@H]1c2cc(Br)ccc2C[C@@H]1O ZINC000039941417 491110673 /nfs/dbraw/zinc/11/06/73/491110673.db2.gz BCTITPKCHCGPPC-DTWKUNHWSA-N 1 0 228.089 1.366 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)s1 ZINC000396889224 359880687 /nfs/dbraw/zinc/88/06/87/359880687.db2.gz WRHCTXZASIJEAF-DTWKUNHWSA-N 1 0 225.313 1.533 40 0 BDABRO CCc1ccc([C@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC000397000902 359890546 /nfs/dbraw/zinc/89/05/46/359890546.db2.gz MWKRFEBDXWBWTE-CHWSQXEVSA-N 1 0 205.301 1.544 40 0 BDABRO CO[C@H]1CCC[NH2+][C@H]1Cc1ccccc1 ZINC000238347972 360910098 /nfs/dbraw/zinc/91/00/98/360910098.db2.gz ATAKUCPOMYNSBY-STQMWFEESA-N 1 0 205.301 1.996 40 0 BDABRO c1cc(N2CCOCC2)ncc1[C@H]1CCCC[NH2+]1 ZINC000072216175 259528023 /nfs/dbraw/zinc/52/80/23/259528023.db2.gz KCFLIVYNFVOPHN-CYBMUJFWSA-N 1 0 247.342 1.733 40 0 BDABRO [NH3+]CC(=O)NCc1cccc(Br)c1 ZINC000042419086 181353164 /nfs/dbraw/zinc/35/31/64/181353164.db2.gz QBIJYMCFNCHRIN-UHFFFAOYSA-N 1 0 243.104 1.024 40 0 BDABRO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCC[NH2+]1 ZINC000072219607 259530211 /nfs/dbraw/zinc/53/02/11/259530211.db2.gz ZHNBGLXBAROUFO-ZDUSSCGKSA-N 1 0 247.342 1.651 40 0 BDABRO [NH3+]CC(=O)NCc1cc(Cl)ccc1Cl ZINC000079420205 181353699 /nfs/dbraw/zinc/35/36/99/181353699.db2.gz UJGBCCWGIFLRMM-UHFFFAOYSA-N 1 0 233.098 1.568 40 0 BDABRO [NH3+]CC(=O)NCc1c(F)cccc1Cl ZINC000057498054 181354158 /nfs/dbraw/zinc/35/41/58/181354158.db2.gz FIJVYFYSKZBXBI-UHFFFAOYSA-N 1 0 216.643 1.054 40 0 BDABRO [NH3+]CC1(COc2ccccc2)CCOCC1 ZINC000085390591 181360861 /nfs/dbraw/zinc/36/08/61/181360861.db2.gz UKIBIQIDQULGDR-UHFFFAOYSA-N 1 0 221.300 1.821 40 0 BDABRO [NH3+]CC1(COC2CCSCC2)CC1 ZINC000217798333 181359900 /nfs/dbraw/zinc/35/99/00/181359900.db2.gz LWQFMWXXVMDCEB-UHFFFAOYSA-N 1 0 201.335 1.638 40 0 BDABRO [NH3+]CC1([C@@H](O)c2ccccc2F)CCOCC1 ZINC000085395858 181361922 /nfs/dbraw/zinc/36/19/22/181361922.db2.gz RYBWTAGPZNRAHK-LBPRGKRZSA-N 1 0 239.290 1.615 40 0 BDABRO [NH3+]CC1CCN(CC(=O)c2cccs2)CC1 ZINC000079438615 181364773 /nfs/dbraw/zinc/36/47/73/181364773.db2.gz XVCCGJSSRAONBP-UHFFFAOYSA-N 1 0 238.356 1.602 40 0 BDABRO Cc1nc(N2CCOCC2)ccc1[C@@H](C)[NH3+] ZINC000072224601 259532379 /nfs/dbraw/zinc/53/23/79/259532379.db2.gz VFCUZKXQZKDMDH-SECBINFHSA-N 1 0 221.304 1.246 40 0 BDABRO CC[C@@H](O)c1cnc(N2CC[NH2+]CC2)cc1C ZINC000072223578 259532545 /nfs/dbraw/zinc/53/25/45/259532545.db2.gz AXQZRDVYCKTUEF-GFCCVEGCSA-N 1 0 235.331 1.243 40 0 BDABRO [NH3+]CCCCn1cnc(-c2cccnc2)c1 ZINC000022009793 181379592 /nfs/dbraw/zinc/37/95/92/181379592.db2.gz PZFFSGZBQUSNGT-UHFFFAOYSA-N 1 0 216.288 1.684 40 0 BDABRO [NH3+]CCN(C[C@H]1COc2ccccc2O1)C1CC1 ZINC000079421421 181390786 /nfs/dbraw/zinc/39/07/86/181390786.db2.gz GAHSVNYWKDWWNJ-LBPRGKRZSA-N 1 0 248.326 1.250 40 0 BDABRO [NH3+]CCO[C@H]1CCN(c2cccc(F)c2)C1 ZINC000096528328 181399300 /nfs/dbraw/zinc/39/93/00/181399300.db2.gz NFULZWTZEYXLOB-LBPRGKRZSA-N 1 0 224.279 1.380 40 0 BDABRO [NH3+]C[C@H](CO)Cc1ccc(F)cc1F ZINC000019280857 181444207 /nfs/dbraw/zinc/44/42/07/181444207.db2.gz VTNMPWGUQFOYLK-SSDOTTSWSA-N 1 0 201.216 1.075 40 0 BDABRO [NH3+]Cc1ccc(OCC2CCOCC2)cc1 ZINC000052145855 181485991 /nfs/dbraw/zinc/48/59/91/181485991.db2.gz PLPOKAFSKWRBIA-UHFFFAOYSA-N 1 0 221.300 1.951 40 0 BDABRO CCN1CCC[C@@H]1C[NH2+]C[C@H](C)OC ZINC000110768073 369978105 /nfs/dbraw/zinc/97/81/05/369978105.db2.gz HCLGTEXDRCIUDH-WDEREUQCSA-N 1 0 200.326 1.095 40 0 BDABRO CO[C@]1(COc2ccccc2)CCC[NH2+]C1 ZINC000378911706 371029913 /nfs/dbraw/zinc/02/99/13/371029913.db2.gz JTKLYYBRYWWGDC-CYBMUJFWSA-N 1 0 221.300 1.834 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccncc2)CC1 ZINC000100809634 181591322 /nfs/dbraw/zinc/59/13/22/181591322.db2.gz UXSZNUFRMVAARS-PHIMTYICSA-N 1 0 219.288 1.081 40 0 BDABRO Cc1cncc([C@H](C)O[C@H]2CC[NH2+]C2)c1 ZINC000252487779 259547404 /nfs/dbraw/zinc/54/74/04/259547404.db2.gz IBNMJHOPSUSNPQ-JQWIXIFHSA-N 1 0 206.289 1.830 40 0 BDABRO C[C@H]1CO[C@H]2C[C@@H](C(F)(F)F)C[C@@H]([NH3+])[C@@H]12 ZINC000225763423 371575897 /nfs/dbraw/zinc/57/58/97/371575897.db2.gz UFRGULWDRREEHF-VRGHQRLXSA-N 1 0 223.238 1.937 40 0 BDABRO OC1(c2ccc(F)c(C(F)(F)F)c2)C[NH2+]C1 ZINC000228403831 372024108 /nfs/dbraw/zinc/02/41/08/372024108.db2.gz AJTDUAKDFQXFQV-UHFFFAOYSA-N 1 0 235.180 1.635 40 0 BDABRO O=C(C[C@H]1CCC[NH2+]C1)N1CCCCCC1 ZINC000054290515 182028156 /nfs/dbraw/zinc/02/81/56/182028156.db2.gz HEKRFGITRQIWFJ-GFCCVEGCSA-N 1 0 224.348 1.779 40 0 BDABRO CCOc1ccc(CN2CCC([NH3+])CC2)cn1 ZINC000040434981 373261861 /nfs/dbraw/zinc/26/18/61/373261861.db2.gz LOLAJJWHRQNCGP-UHFFFAOYSA-N 1 0 235.331 1.403 40 0 BDABRO O=C(NCCC[NH+]1CCCC1)c1ccccc1 ZINC000010449996 182167757 /nfs/dbraw/zinc/16/77/57/182167757.db2.gz AOQMMUWCTVLKPT-UHFFFAOYSA-N 1 0 232.327 1.902 40 0 BDABRO O=C(Nc1nc2c(s1)C[NH2+]CC2)c1ccoc1 ZINC000036233069 182398175 /nfs/dbraw/zinc/39/81/75/182398175.db2.gz QPQHCTMNPBRBRW-UHFFFAOYSA-N 1 0 249.295 1.634 40 0 BDABRO O=C1N(c2ccsc2)CC[C@]12CCC[NH2+]C2 ZINC000096224582 182789663 /nfs/dbraw/zinc/78/96/63/182789663.db2.gz FFLBIZRFJFAWPS-LBPRGKRZSA-N 1 0 236.340 1.855 40 0 BDABRO O=C1N(c2ccccc2)CC[C@]12CCC[NH2+]C2 ZINC000044136464 182789681 /nfs/dbraw/zinc/78/96/81/182789681.db2.gz JLEUHUINVDJRAU-AWEZNQCLSA-N 1 0 230.311 1.793 40 0 BDABRO OCC[NH2+]CCNCc1ccc(Cl)cc1 ZINC000023263541 183078210 /nfs/dbraw/zinc/07/82/10/183078210.db2.gz LIEGTVJMDMEZEJ-UHFFFAOYSA-N 1 0 228.723 1.012 40 0 BDABRO OCCn1c2ccccc2nc1[C@@H]1CCC[NH2+]1 ZINC000037900708 183102884 /nfs/dbraw/zinc/10/28/84/183102884.db2.gz RSOBAXZNTAFAPI-NSHDSACASA-N 1 0 231.299 1.453 40 0 BDABRO O[C@@]1(c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000071518437 183218234 /nfs/dbraw/zinc/21/82/34/183218234.db2.gz XYQUPAHDQDEJAO-NSHDSACASA-N 1 0 211.692 1.911 40 0 BDABRO O[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(F)cc1 ZINC000257258992 183241422 /nfs/dbraw/zinc/24/14/22/183241422.db2.gz KWJVFPLNKGJKFJ-RYUDHWBXSA-N 1 0 225.263 1.317 40 0 BDABRO O[C@H]1C[N@H+](Cc2ccccn2)CC[C@@]12CCCO2 ZINC000257213401 183243217 /nfs/dbraw/zinc/24/32/17/183243217.db2.gz CHKWIRJLLJBBJN-KBPBESRZSA-N 1 0 248.326 1.197 40 0 BDABRO CCC[N@@H+]1CCc2nc(N)nc(C)c2C1 ZINC000049474126 169208804 /nfs/dbraw/zinc/20/88/04/169208804.db2.gz LIQHPMBXVFSFFM-UHFFFAOYSA-N 1 0 206.293 1.135 40 0 BDABRO c1cc[n+](Cn2nnc3ccccc32)cc1 ZINC000006095100 183378024 /nfs/dbraw/zinc/37/80/24/183378024.db2.gz NEMINUYEACMXFA-UHFFFAOYSA-N 1 0 211.248 1.225 40 0 BDABRO c1nc([C@@H]2CCC[NH2+]2)n(-c2ccccn2)n1 ZINC000096524328 183387765 /nfs/dbraw/zinc/38/77/65/183387765.db2.gz GARHAOKQBBJAGY-VIFPVBQESA-N 1 0 215.260 1.087 40 0 BDABRO c1cncc(N2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC000096229351 183495896 /nfs/dbraw/zinc/49/58/96/183495896.db2.gz LWNJLCUTZIXQRF-CQSZACIVSA-N 1 0 247.342 1.288 40 0 BDABRO c1cc([C@H]2CCC[NH2+]2)nc(Nc2cncnc2)n1 ZINC000072376746 384035107 /nfs/dbraw/zinc/03/51/07/384035107.db2.gz QKIAKZDZZKCMLJ-SNVBAGLBSA-N 1 0 242.286 1.435 40 0 BDABRO CC(C)N(Cc1cccc(F)c1)C(=O)C[NH3+] ZINC000076611691 384061575 /nfs/dbraw/zinc/06/15/75/384061575.db2.gz GPPPQBNSNKJFIP-UHFFFAOYSA-N 1 0 224.279 1.521 40 0 BDABRO CN(Cc1ccccc1)C[C@@H]1CCC[N@@H+]1CCO ZINC000079414102 384138096 /nfs/dbraw/zinc/13/80/96/384138096.db2.gz RSXMOGVTLJQRHR-HNNXBMFYSA-N 1 0 248.370 1.575 40 0 BDABRO C[C@H](c1ccccn1)N(C(=O)[C@H](C)[NH3+])C1CC1 ZINC000079421831 384142454 /nfs/dbraw/zinc/14/24/54/384142454.db2.gz LLNYCCIGAWZCIQ-VHSXEESVSA-N 1 0 233.315 1.481 40 0 BDABRO C[N@H+](CCO)Cc1ccnc(Br)c1 ZINC000079421548 384142844 /nfs/dbraw/zinc/14/28/44/384142844.db2.gz KMGLWZWWODWSMT-UHFFFAOYSA-N 1 0 245.120 1.268 40 0 BDABRO O=c1c2ccccc2cnn1C[C@@H]1CCC[NH2+]1 ZINC000043495951 384191771 /nfs/dbraw/zinc/19/17/71/384191771.db2.gz HYXQKGJSRJYQQF-NSHDSACASA-N 1 0 229.283 1.149 40 0 BDABRO CC(C)[NH+]1CC(c2[nH]nc3ncccc32)C1 ZINC000072381397 384216171 /nfs/dbraw/zinc/21/61/71/384216171.db2.gz FTWKEJOCKGDJMS-UHFFFAOYSA-N 1 0 216.288 1.766 40 0 BDABRO CNc1nccnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072381226 384216723 /nfs/dbraw/zinc/21/67/23/384216723.db2.gz QKQKYMXOHYITPZ-SECBINFHSA-N 1 0 206.293 1.328 40 0 BDABRO Nc1nccc([C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000072383324 384219075 /nfs/dbraw/zinc/21/90/75/384219075.db2.gz ZABXUIGRLCJRIE-JTQLQIEISA-N 1 0 218.304 1.258 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)C2CCCC2)CC1 ZINC000100809660 384344601 /nfs/dbraw/zinc/34/46/01/384344601.db2.gz XQIAOPKYRQEQAX-PHIMTYICSA-N 1 0 210.321 1.563 40 0 BDABRO CC[NH+](CC)C[C@H](N)Cc1ccccc1 ZINC000095079699 384358523 /nfs/dbraw/zinc/35/85/23/384358523.db2.gz RKXCHDNBGAKTES-CYBMUJFWSA-N 1 0 206.333 1.898 40 0 BDABRO Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@@H](C)O[C@@H]2C1 ZINC000096045712 384426158 /nfs/dbraw/zinc/42/61/58/384426158.db2.gz STALNTXLVYRUKX-YDEJPDAXSA-N 1 0 236.315 1.901 40 0 BDABRO c1cncc(COC[C@@H]2CC[C@@H]3[NH2+]CCO[C@H]23)c1 ZINC000096250114 384445134 /nfs/dbraw/zinc/44/51/34/384445134.db2.gz MSMJEAVQQBLCMH-MELADBBJSA-N 1 0 248.326 1.365 40 0 BDABRO CCCCOCCC[NH2+][C@@H](C)CC(=O)OC ZINC000047219158 384446330 /nfs/dbraw/zinc/44/63/30/384446330.db2.gz NHAAAABHNHNJLJ-NSHDSACASA-N 1 0 231.336 1.734 40 0 BDABRO O=C1C[C@H]2[NH2+]CC[C@@H]2N1c1ccsc1 ZINC000096246042 384446464 /nfs/dbraw/zinc/44/64/64/384446464.db2.gz RISYASHBQSFZFP-BDAKNGLRSA-N 1 0 208.286 1.215 40 0 BDABRO c1cnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@@H]3C2)nc1 ZINC000096054015 384430032 /nfs/dbraw/zinc/43/00/32/384430032.db2.gz QQADZYWXNYZLFL-BETUJISGSA-N 1 0 244.342 1.255 40 0 BDABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(CC2CC2)C1 ZINC000096059188 384431632 /nfs/dbraw/zinc/43/16/32/384431632.db2.gz RJYKWIKFRHPLFY-CYBMUJFWSA-N 1 0 248.374 1.287 40 0 BDABRO c1ncc([C@H]2CO[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000096073488 384432245 /nfs/dbraw/zinc/43/22/45/384432245.db2.gz RSQCPJYHNUVXBA-PWSUYJOCSA-N 1 0 219.288 1.103 40 0 BDABRO CCCN1c2ccccc2C[C@]2(CC[NH2+]C2)C1=O ZINC000096157383 384440852 /nfs/dbraw/zinc/44/08/52/384440852.db2.gz UTASCLKGZRQECC-HNNXBMFYSA-N 1 0 244.338 1.965 40 0 BDABRO Cc1ccc(C)c(C(=O)NCCC[NH+](C)C)c1 ZINC000047652837 384461741 /nfs/dbraw/zinc/46/17/41/384461741.db2.gz XJCBKDGFTUXEDN-UHFFFAOYSA-N 1 0 234.343 1.985 40 0 BDABRO [NH3+]Cc1cccc(F)c1N1CCOCC1 ZINC000082641316 384514241 /nfs/dbraw/zinc/51/42/41/384514241.db2.gz FQDLPNIVAJBIJH-UHFFFAOYSA-N 1 0 210.252 1.121 40 0 BDABRO [NH3+]Cc1ccc([C@H]2CCNC(=O)C2)c(F)c1 ZINC000199775467 384539360 /nfs/dbraw/zinc/53/93/60/384539360.db2.gz NYUAPMKQWIFBOX-VIFPVBQESA-N 1 0 222.263 1.278 40 0 BDABRO COc1c2c(cc3c1CC[NH2+]C3)OCO2 ZINC000238388965 384592452 /nfs/dbraw/zinc/59/24/52/384592452.db2.gz FWGHBUMHNWYXMH-UHFFFAOYSA-N 1 0 207.229 1.070 40 0 BDABRO c1cn2c(n1)C[NH2+]C[C@@H](COCC1CC1)C2 ZINC000101143385 384665982 /nfs/dbraw/zinc/66/59/82/384665982.db2.gz BIWIEVUNJMOZBT-LLVKDONJSA-N 1 0 221.304 1.029 40 0 BDABRO c1cn2c(n1)C[NH2+]C[C@H](COCC1CC1)C2 ZINC000101143383 384667388 /nfs/dbraw/zinc/66/73/88/384667388.db2.gz BIWIEVUNJMOZBT-NSHDSACASA-N 1 0 221.304 1.029 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C2(CC2)C1 ZINC000082359733 384671201 /nfs/dbraw/zinc/67/12/01/384671201.db2.gz MOMZQKDPZCSNQR-SECBINFHSA-N 1 0 226.320 1.735 40 0 BDABRO CN(C)C[C@@H]1c2ccccc2CC[N@H+]1C ZINC000022029649 384723487 /nfs/dbraw/zinc/72/34/87/384723487.db2.gz FTDUASQTTRDXDB-CYBMUJFWSA-N 1 0 204.317 1.777 40 0 BDABRO CC(C)CCOCc1c(C[NH3+])cnn1C ZINC000408715255 384699477 /nfs/dbraw/zinc/69/94/77/384699477.db2.gz AGSXAKHEHUDCKO-UHFFFAOYSA-N 1 0 211.309 1.442 40 0 BDABRO CN(Cc1c(C[NH3+])cnn1C)c1ccccc1 ZINC000408716130 384700878 /nfs/dbraw/zinc/70/08/78/384700878.db2.gz JFXAARORMGYHTL-UHFFFAOYSA-N 1 0 230.315 1.515 40 0 BDABRO Cc1ccn([C@H](C)[C@H]2CCCN2CC[NH3+])n1 ZINC000022763128 384773661 /nfs/dbraw/zinc/77/36/61/384773661.db2.gz TZNNEOLHPHZQRJ-VXGBXAGGSA-N 1 0 222.336 1.176 40 0 BDABRO CC(C)(C)OC(=O)N1CCCC2(C[NH2+]C2)CC1 ZINC000082327480 384744560 /nfs/dbraw/zinc/74/45/60/384744560.db2.gz GCIDVELYEJKHOZ-UHFFFAOYSA-N 1 0 240.347 1.997 40 0 BDABRO C[C@@H]1[NH2+]CC=CC[C@@H]1C(=O)N1CCCCC1 ZINC000019462284 384831724 /nfs/dbraw/zinc/83/17/24/384831724.db2.gz BPVZHDDIKNHAQP-RYUDHWBXSA-N 1 0 222.332 1.553 40 0 BDABRO CN1C(=O)C2(CC[NH2+]CC2)c2cccc(F)c21 ZINC000104998230 384853796 /nfs/dbraw/zinc/85/37/96/384853796.db2.gz DHTLOFOHEXVEKY-UHFFFAOYSA-N 1 0 234.274 1.423 40 0 BDABRO COC(=O)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000057496505 384949010 /nfs/dbraw/zinc/94/90/10/384949010.db2.gz VNRMYROTJKSLET-SECBINFHSA-N 1 0 211.236 1.431 40 0 BDABRO COc1nc(C(F)(F)F)cc2c1CC[NH2+]C2 ZINC000090555667 384901404 /nfs/dbraw/zinc/90/14/04/384901404.db2.gz JGYNDJDEWPSXGJ-UHFFFAOYSA-N 1 0 232.205 1.755 40 0 BDABRO CNc1ncccc1[C@H]1CCCCN1C=O ZINC000072212569 385075304 /nfs/dbraw/zinc/07/53/04/385075304.db2.gz IKUIHEBCJCQYQH-LLVKDONJSA-N 1 0 219.288 1.807 40 0 BDABRO CCCC[NH+](CCCC)CCOCCO ZINC000005419509 385030207 /nfs/dbraw/zinc/03/02/07/385030207.db2.gz SUQXWEWNHMAZRW-UHFFFAOYSA-N 1 0 217.353 1.898 40 0 BDABRO CC(C)[C@H]([NH3+])c1nc(-c2ccco2)n[nH]1 ZINC000095534696 385045522 /nfs/dbraw/zinc/04/55/22/385045522.db2.gz XKEGGZNCYOFMDO-QMMMGPOBSA-N 1 0 206.249 1.721 40 0 BDABRO NN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000095095448 385123688 /nfs/dbraw/zinc/12/36/88/385123688.db2.gz TZTSYQMTSZFAKV-CYBMUJFWSA-N 1 0 219.332 1.504 40 0 BDABRO CC(C)[NH+]1CCN(c2ccc([C@H](C)O)cn2)CC1 ZINC000072225611 385125218 /nfs/dbraw/zinc/12/52/18/385125218.db2.gz OFVVRQQCGDDLAK-LBPRGKRZSA-N 1 0 249.358 1.665 40 0 BDABRO CCc1c(C[NH3+])nnn1Cc1ccccc1F ZINC000062287126 385088965 /nfs/dbraw/zinc/08/89/65/385088965.db2.gz ZRWGITOKVDABHW-UHFFFAOYSA-N 1 0 234.278 1.487 40 0 BDABRO Cc1cc([C@@H]2CCC[NH2+]2)cnc1N(C)C ZINC000072218602 385101072 /nfs/dbraw/zinc/10/10/72/385101072.db2.gz LPNLTCJKWYWBOO-NSHDSACASA-N 1 0 205.305 1.881 40 0 BDABRO Cc1ccc([C@@H](O)C2(C[NH3+])CC(C)C2)o1 ZINC000085396189 385161449 /nfs/dbraw/zinc/16/14/49/385161449.db2.gz DVDPFRSYJHOCLP-BYIYDRLASA-N 1 0 209.289 1.996 40 0 BDABRO C[C@H]1CN(C(=O)c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000062619568 385178047 /nfs/dbraw/zinc/17/80/47/385178047.db2.gz IIZUZFRKAIBQCA-QMMMGPOBSA-N 1 0 240.253 1.399 40 0 BDABRO c1cncc(-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000096511440 385253166 /nfs/dbraw/zinc/25/31/66/385253166.db2.gz OQOUXBCBCYBEGR-UHFFFAOYSA-N 1 0 244.298 1.674 40 0 BDABRO CN1c2ccc(F)cc2C(=O)N[C@@]12CCC[NH2+]C2 ZINC000096516601 385259697 /nfs/dbraw/zinc/25/96/97/385259697.db2.gz HAAKPQPJPXWRGC-ZDUSSCGKSA-N 1 0 249.289 1.085 40 0 BDABRO Cn1cccc1CN1CCCC[C@H]1C[NH3+] ZINC000096523619 385267793 /nfs/dbraw/zinc/26/77/93/385267793.db2.gz LICOREMQXJUMQE-NSHDSACASA-N 1 0 207.321 1.338 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1ccc(N)cc1 ZINC000096524825 385274849 /nfs/dbraw/zinc/27/48/49/385274849.db2.gz KWKNNVLPBMNHNZ-GZMMTYOYSA-N 1 0 242.344 1.092 40 0 BDABRO [NH3+]Cc1ccnc(OCC2CC(F)(F)C2)c1 ZINC000409424606 385333760 /nfs/dbraw/zinc/33/37/60/385333760.db2.gz HFNKWSBXJLEHFT-UHFFFAOYSA-N 1 0 228.242 1.964 40 0 BDABRO [NH3+]C[C@@H]1COc2ccc(Br)cc2C1 ZINC000066354226 385621686 /nfs/dbraw/zinc/62/16/86/385621686.db2.gz SMBZBESXIBDHBG-SSDOTTSWSA-N 1 0 242.116 1.959 40 0 BDABRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCCC1 ZINC000087122054 385664978 /nfs/dbraw/zinc/66/49/78/385664978.db2.gz HYNWCGPXMNVYNI-QWRGUYRKSA-N 1 0 210.321 1.387 40 0 BDABRO [NH3+]C[C@@]1(CO)C[C@H]1c1cccc(Cl)c1 ZINC000062713565 385697881 /nfs/dbraw/zinc/69/78/81/385697881.db2.gz GEAFVCBBULHSCD-WDEREUQCSA-N 1 0 211.692 1.765 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2cccnc2)CC1 ZINC000255189822 385712510 /nfs/dbraw/zinc/71/25/10/385712510.db2.gz SILDYLQPSRZOMW-XYPYZODXSA-N 1 0 219.288 1.081 40 0 BDABRO CNc1cc(C)nc([C@]2(C)CCC[NH2+]2)n1 ZINC000257211952 385751861 /nfs/dbraw/zinc/75/18/61/385751861.db2.gz CBFOBVPVDYRHNQ-NSHDSACASA-N 1 0 206.293 1.425 40 0 BDABRO Cc1nc(-c2cc[nH]n2)cc([C@@H]2CC[NH2+]C2)n1 ZINC000257211787 385752840 /nfs/dbraw/zinc/75/28/40/385752840.db2.gz CAJUSJOKGTZAJQ-SECBINFHSA-N 1 0 229.287 1.252 40 0 BDABRO Nc1ncnc2nc([C@@H]3CCCC[NH2+]3)ccc12 ZINC000257280298 385758361 /nfs/dbraw/zinc/75/83/61/385758361.db2.gz OKIMFEIOKFXIBT-VIFPVBQESA-N 1 0 229.287 1.422 40 0 BDABRO Cc1nc([C@H]2CCC[NH2+]2)cc(N2CCOCC2)n1 ZINC000257277507 385759635 /nfs/dbraw/zinc/75/96/35/385759635.db2.gz NYFXMTRHUYTGFS-LLVKDONJSA-N 1 0 248.330 1.046 40 0 BDABRO Cc1cc(-c2cnc([C@@H]3CCC[NH2+]C3)cn2)n[nH]1 ZINC000257291863 385760202 /nfs/dbraw/zinc/76/02/02/385760202.db2.gz QIXWAWSMKXORDG-SNVBAGLBSA-N 1 0 243.314 1.642 40 0 BDABRO Cc1cc(-c2cc(C[C@H]3CC[NH2+]C3)ccn2)n[nH]1 ZINC000257334862 385764183 /nfs/dbraw/zinc/76/41/83/385764183.db2.gz YHRMUQBHJJCJJQ-GFCCVEGCSA-N 1 0 242.326 1.932 40 0 BDABRO c1cn(-c2ccnc([C@@H]3CCC[NH2+]C3)c2)cn1 ZINC000257326931 385764776 /nfs/dbraw/zinc/76/47/76/385764776.db2.gz WZDPXLUJJTVJQO-LLVKDONJSA-N 1 0 228.299 1.734 40 0 BDABRO C[C@H]1CCCCN1[C@@H](C[NH3+])C(F)(F)F ZINC000037169438 385825007 /nfs/dbraw/zinc/82/50/07/385825007.db2.gz OWRCACAIDABAEN-YUMQZZPRSA-N 1 0 210.243 1.750 40 0 BDABRO O=C1C[C@@]2(CN1)CCCC[N@@H+]2Cc1cccnc1 ZINC000306130638 385993207 /nfs/dbraw/zinc/99/32/07/385993207.db2.gz JLUBGWHGZRVKOE-CQSZACIVSA-N 1 0 245.326 1.326 40 0 BDABRO O=C1c2ccc(F)cc2CN1[C@H]1CC[NH2+]C1 ZINC000098213946 386583055 /nfs/dbraw/zinc/58/30/55/386583055.db2.gz VWQAXJUNYJKVDQ-JTQLQIEISA-N 1 0 220.247 1.143 40 0 BDABRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC000238856680 386537635 /nfs/dbraw/zinc/53/76/35/386537635.db2.gz WULUIRLXYWAJQJ-AYMMMOKOSA-N 1 0 212.293 1.119 40 0 BDABRO Cc1ccc(CN2C[C@H]3C[C@@]3([NH3+])C2)s1 ZINC000248104552 386744402 /nfs/dbraw/zinc/74/44/02/386744402.db2.gz ORINDZCBBJXHQO-MWLCHTKSSA-N 1 0 208.330 1.590 40 0 BDABRO C[C@@H]1CCCCN1c1ccncc1C[NH3+] ZINC000088114675 386823124 /nfs/dbraw/zinc/82/31/24/386823124.db2.gz SIOYKWWMUXARSI-SNVBAGLBSA-N 1 0 205.305 1.919 40 0 BDABRO F[C@H]1CC[NH2+]C[C@]12CCN(Cc1ccco1)C2 ZINC000096241251 387023700 /nfs/dbraw/zinc/02/37/00/387023700.db2.gz MQMYWDNJWFITHN-STQMWFEESA-N 1 0 238.306 1.803 40 0 BDABRO Cn1nccc1C[NH2+]Cc1ccccc1 ZINC000002536101 387849464 /nfs/dbraw/zinc/84/94/64/387849464.db2.gz WSCDCWMZPUOQGM-UHFFFAOYSA-N 1 0 201.273 1.710 40 0 BDABRO Cc1cccc(-c2ccn(CC[NH3+])n2)c1 ZINC000072206334 387854817 /nfs/dbraw/zinc/85/48/17/387854817.db2.gz YLAHNKMCVVRLLB-UHFFFAOYSA-N 1 0 201.273 1.817 40 0 BDABRO O=C1Nc2ccccc2CN1[C@@H]1CC[NH2+]C1 ZINC000083351177 387855685 /nfs/dbraw/zinc/85/56/85/387855685.db2.gz OXQFZCAVWSDPON-SNVBAGLBSA-N 1 0 217.272 1.396 40 0 BDABRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000067800943 387855800 /nfs/dbraw/zinc/85/58/00/387855800.db2.gz GOLIFRGHZSFNBN-LLVKDONJSA-N 1 0 240.347 1.995 40 0 BDABRO Cc1c(C[NH2+]Cc2ccnn2C)cnn1C(C)C ZINC000256051415 387857818 /nfs/dbraw/zinc/85/78/18/387857818.db2.gz JBRAKHNMFZMYFV-UHFFFAOYSA-N 1 0 247.346 1.796 40 0 BDABRO CCCn1cc(C[NH2+]Cc2cnn(CC)c2)cn1 ZINC000256054082 387863101 /nfs/dbraw/zinc/86/31/01/387863101.db2.gz UWNUMVDKQCPSAC-UHFFFAOYSA-N 1 0 247.346 1.799 40 0 BDABRO Cc1ccc(OCCN2CC[C@H]([NH3+])C2)cc1 ZINC000050242956 387932789 /nfs/dbraw/zinc/93/27/89/387932789.db2.gz HSKGKOQMISPIEK-LBPRGKRZSA-N 1 0 220.316 1.407 40 0 BDABRO CCS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@H]1c1ccc(F)cc1 ZINC000242574929 388399634 /nfs/dbraw/zinc/39/96/34/388399634.db2.gz NKBPKNOHJPXKNO-MXWKQRLJSA-N 1 0 243.303 1.054 40 0 BDABRO CCS(=O)(=O)[C@H]1[C@H](c2cccc(F)c2)[C@@H]1[NH3+] ZINC000242688187 388400368 /nfs/dbraw/zinc/40/03/68/388400368.db2.gz VKDAXLOTUGJBND-VWYCJHECSA-N 1 0 243.303 1.054 40 0 BDABRO Cc1ccncc1N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000242723039 388400441 /nfs/dbraw/zinc/40/04/41/388400441.db2.gz YBYNYKLTVMBKPO-JTQLQIEISA-N 1 0 219.288 1.105 40 0 BDABRO Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC000096223704 388616005 /nfs/dbraw/zinc/61/60/05/388616005.db2.gz RQDDJTWDUQIPHR-WCQYABFASA-N 1 0 248.330 1.108 40 0 BDABRO [NH3+][C@H]1CCC[C@@H]1NCc1ccc(F)cc1 ZINC000218873493 388585698 /nfs/dbraw/zinc/58/56/98/388585698.db2.gz FBZYASFAIZMFDP-RYUDHWBXSA-N 1 0 208.280 1.795 40 0 BDABRO CCOC[C@H]1C[NH2+]Cc2cnn(CC)c21 ZINC000306144721 388629477 /nfs/dbraw/zinc/62/94/77/388629477.db2.gz ZMYZAKVSHOKPJJ-SNVBAGLBSA-N 1 0 209.293 1.126 40 0 BDABRO CC(C)OC1CCN(C(C)(C)C[NH3+])CC1 ZINC000252478819 388652391 /nfs/dbraw/zinc/65/23/91/388652391.db2.gz AVNCNLVTQGMWCE-UHFFFAOYSA-N 1 0 214.353 1.613 40 0 BDABRO COc1ccc(OC)c([C@H]2C[C@]2(C[NH3+])CO)c1 ZINC000062713397 388655000 /nfs/dbraw/zinc/65/50/00/388655000.db2.gz YECZMYYTOKQJNL-YPMHNXCESA-N 1 0 237.299 1.129 40 0 BDABRO CCNc1ncc(C[NH2+][C@@H](C)CC)cn1 ZINC000062717538 388655919 /nfs/dbraw/zinc/65/59/19/388655919.db2.gz DPICGSXENQAAOD-VIFPVBQESA-N 1 0 208.309 1.797 40 0 BDABRO CC(C)(C)c1nnc(CC[NH+]2CCCC2)[nH]1 ZINC000062719454 388656624 /nfs/dbraw/zinc/65/66/24/388656624.db2.gz YVVMTSWDRDGYSQ-UHFFFAOYSA-N 1 0 222.336 1.741 40 0 BDABRO Nc1cc[nH+]cc1-c1nncn1C1CC1 ZINC000242463900 388744083 /nfs/dbraw/zinc/74/40/83/388744083.db2.gz DPRDDNOHWUFSOL-UHFFFAOYSA-N 1 0 201.233 1.257 40 0 BDABRO CN(C)c1nc([C@@H]2CCC[NH2+]C2)cn2cccc12 ZINC000257322554 388697894 /nfs/dbraw/zinc/69/78/94/388697894.db2.gz WGKPNHUEPZAPTJ-LLVKDONJSA-N 1 0 244.342 1.867 40 0 BDABRO CNc1cc(C)nc([C@@H]2C[NH2+]CCO2)c1 ZINC000257342056 388698031 /nfs/dbraw/zinc/69/80/31/388698031.db2.gz ZMWVRWQHGJLVKL-NSHDSACASA-N 1 0 207.277 1.093 40 0 BDABRO Cc1nc(Nc2cnccn2)cc(C2C[NH2+]C2)n1 ZINC000257324349 388698037 /nfs/dbraw/zinc/69/80/37/388698037.db2.gz WOGLRLPIRVWIQL-UHFFFAOYSA-N 1 0 242.286 1.005 40 0 BDABRO O=C(C1CCCCC1)N1CC2(C1)CC[NH2+]CC2 ZINC000096268220 388813634 /nfs/dbraw/zinc/81/36/34/388813634.db2.gz PHGRHDPTXUDXTH-UHFFFAOYSA-N 1 0 236.359 1.779 40 0 BDABRO CCC[C@@H]([NH2+]C)C(=O)c1cccc2c1OCO2 ZINC000095215391 388761054 /nfs/dbraw/zinc/76/10/54/388761054.db2.gz VLOXGPWMPMAHSR-SNVBAGLBSA-N 1 0 235.283 1.986 40 0 in-vitro BDABRO CC(C)(C)OC(=O)CC[C@@H]1COCC[NH2+]1 ZINC000002527114 388842640 /nfs/dbraw/zinc/84/26/40/388842640.db2.gz ZKXCNRADZYJAOG-SECBINFHSA-N 1 0 215.293 1.097 40 0 BDABRO COc1ccc(OC)c(N2CC[NH2+]CC2)c1 ZINC000011632569 132320046 /nfs/dbraw/zinc/32/00/46/132320046.db2.gz IZFHRJZAZNTUOI-UHFFFAOYSA-N 1 0 222.288 1.113 40 0 in-vivo BDABRO Nc1ccc(N2CC[NH2+]CC2)c2ccncc12 ZINC000019721739 132326207 /nfs/dbraw/zinc/32/62/07/132326207.db2.gz CIVPANDBEFVUOR-UHFFFAOYSA-N 1 0 228.299 1.227 40 0 BDABRO C[NH2+]C1CCN(c2ncc(C)c(Cl)n2)CC1 ZINC000072203382 132396372 /nfs/dbraw/zinc/39/63/72/132396372.db2.gz LHFXMBHFGWSGHN-UHFFFAOYSA-N 1 0 240.738 1.627 40 0 BDABRO Cc1cnc(N2CCC(C[NH3+])CC2)nc1Cl ZINC000072203370 132396779 /nfs/dbraw/zinc/39/67/79/132396779.db2.gz MJPMRURXHXDDRF-UHFFFAOYSA-N 1 0 240.738 1.614 40 0 BDABRO C[C@H]1CCCCN1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000080992944 135384817 /nfs/dbraw/zinc/38/48/17/135384817.db2.gz MGYVWEJCZQKKAB-NWDGAFQWSA-N 1 0 224.348 1.920 40 0 BDABRO CC(C)[NH2+][C@H]1CCc2[nH]c(=O)ccc2C1 ZINC000096067554 167142817 /nfs/dbraw/zinc/14/28/17/167142817.db2.gz PNGZMYLFBYXLCF-JTQLQIEISA-N 1 0 206.289 1.230 40 0 BDABRO CC(C)(C)OC(=O)NC[C@@H](C[NH3+])C(F)(F)F ZINC000216589969 166661010 /nfs/dbraw/zinc/66/10/10/166661010.db2.gz IYVOWDZHVOJAMV-ZCFIWIBFSA-N 1 0 242.241 1.648 40 0 BDABRO CC(C)(C)OC(=O)[C@H](N)C[C@H]1CCCC[NH2+]1 ZINC000040448426 166673933 /nfs/dbraw/zinc/67/39/33/166673933.db2.gz SBGGYLSKSFJIQO-NXEZZACHSA-N 1 0 228.336 1.188 40 0 BDABRO CC(C)[NH2+]C[C@@H](O)COc1ccc(C=O)cc1 ZINC000022060830 167111750 /nfs/dbraw/zinc/11/17/50/167111750.db2.gz BGHLBXLHZRCXRY-GFCCVEGCSA-N 1 0 237.299 1.237 40 0 in-vitro BDABRO CC(C)OCCC[NH2+]Cc1ccnn1C ZINC000036901289 167222337 /nfs/dbraw/zinc/22/23/37/167222337.db2.gz AOWVFIBAGRWFRO-UHFFFAOYSA-N 1 0 211.309 1.325 40 0 BDABRO CC(C)OCCC[NH2+]Cc1cnn(C)c1 ZINC000020198429 167223219 /nfs/dbraw/zinc/22/32/19/167223219.db2.gz GPNCSAXQXZGTNI-UHFFFAOYSA-N 1 0 211.309 1.325 40 0 BDABRO CC/C=C/CC[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000189453692 167845720 /nfs/dbraw/zinc/84/57/20/167845720.db2.gz FYOCGYMPEGJKNM-QSKOYVBTSA-N 1 0 224.348 1.976 40 0 BDABRO CC1(C)[C@@H]([NH3+])C[C@H]1Cc1cc(CO)on1 ZINC000077262269 167994744 /nfs/dbraw/zinc/99/47/44/167994744.db2.gz ZCCOFVQMIVAOAL-XCBNKYQSSA-N 1 0 210.277 1.083 40 0 biogenic,in-vitro BDABRO CC1([NH3+])COP(=O)(Nc2ccccc2)OC1 ZINC000001704623 168053201 /nfs/dbraw/zinc/05/32/01/168053201.db2.gz NDHZDEZWPBQQSV-UHFFFAOYSA-N 1 0 242.215 1.971 40 0 BDABRO CC1CCN(C(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000020597436 168172798 /nfs/dbraw/zinc/17/27/98/168172798.db2.gz YLINLOYPXHSUJG-GFCCVEGCSA-N 1 0 224.348 1.777 40 0 BDABRO CC[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000008227196 170125493 /nfs/dbraw/zinc/12/54/93/170125493.db2.gz LZCANVJKORZBBQ-UHFFFAOYSA-N 1 0 225.288 1.822 40 0 BDABRO CCNc1ccnc(O[C@H]2CCC[NH2+]C2)n1 ZINC000091351863 170175377 /nfs/dbraw/zinc/17/53/77/170175377.db2.gz VRUVNRRSJWBJJT-VIFPVBQESA-N 1 0 222.292 1.039 40 0 BDABRO CCOC(=O)C[n+]1c(C)n(C)c2ccccc21 ZINC000005393398 170237155 /nfs/dbraw/zinc/23/71/55/170237155.db2.gz XYCJBYNQNFLTBL-UHFFFAOYSA-N 1 0 233.291 1.337 40 0 BDABRO CCOCC(=O)N1CCC2(CCC[NH2+]C2)CC1 ZINC000096047365 170339664 /nfs/dbraw/zinc/33/96/64/170339664.db2.gz WDPLOMQMWGJBNB-UHFFFAOYSA-N 1 0 240.347 1.015 40 0 BDABRO CCO[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000062711888 170478698 /nfs/dbraw/zinc/47/86/98/170478698.db2.gz SGCKJXWTYHNPBC-LBPRGKRZSA-N 1 0 225.288 1.740 40 0 BDABRO CC[C@@H]([NH3+])Cn1ncc2ccccc2c1=O ZINC000050180253 170867335 /nfs/dbraw/zinc/86/73/35/170867335.db2.gz MKVNPOCHFGNFIM-SNVBAGLBSA-N 1 0 217.272 1.134 40 0 BDABRO CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000082370886 171066993 /nfs/dbraw/zinc/06/69/93/171066993.db2.gz ZFUJATNIGNCUKO-RKDXNWHRSA-N 1 0 214.309 1.591 40 0 BDABRO CC[C@H](C)[C@H]([NH3+])CN(C)CCc1ccccn1 ZINC000020074332 171396659 /nfs/dbraw/zinc/39/66/59/171396659.db2.gz SDYMBIVUPANRCP-GXTWGEPZSA-N 1 0 235.375 1.929 40 0 BDABRO CCn1ncc(-c2cc(C[NH2+]C)on2)c1C ZINC000035655524 172251362 /nfs/dbraw/zinc/25/13/62/172251362.db2.gz UDAFPGCAJSOIQD-UHFFFAOYSA-N 1 0 220.276 1.586 40 0 BDABRO CCn1ncc(C[N@@H+]2CCC[C@H](O)C2)c1C ZINC000072397794 172255260 /nfs/dbraw/zinc/25/52/60/172255260.db2.gz WLKLPPPHQXKGSY-LBPRGKRZSA-N 1 0 223.320 1.168 40 0 BDABRO C[NH+]1CCC2(CCN(c3cnccn3)C2)CC1 ZINC000063527696 173002510 /nfs/dbraw/zinc/00/25/10/173002510.db2.gz GLFHXBUTDDAZJE-UHFFFAOYSA-N 1 0 232.331 1.399 40 0 BDABRO CN1CCCC[C@@H]1c1nc(CCC[NH3+])no1 ZINC000218377592 173006612 /nfs/dbraw/zinc/00/66/12/173006612.db2.gz VKMHSVMCCSVXNO-SECBINFHSA-N 1 0 224.308 1.118 40 0 BDABRO C[N@@H+]1CCC[C@H](C(=O)NCc2ccncc2)C1 ZINC000081225859 173038183 /nfs/dbraw/zinc/03/81/83/173038183.db2.gz UODXXLHXBJBJOX-LBPRGKRZSA-N 1 0 233.315 1.040 40 0 BDABRO C[N@@H+]1CCC[C@H](Oc2ccccc2N)C1 ZINC000096526668 173046483 /nfs/dbraw/zinc/04/64/83/173046483.db2.gz FCZORDGDGCCCRP-JTQLQIEISA-N 1 0 206.289 1.742 40 0 BDABRO Cn1nccc1-c1cnc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000257240668 173059568 /nfs/dbraw/zinc/05/95/68/173059568.db2.gz HUOYWDDKHXRFLB-LBPRGKRZSA-N 1 0 243.314 1.644 40 0 BDABRO CN1c2ccccc2[C@]2(CC[N@H+](C)C2)C1=O ZINC000096244805 173165406 /nfs/dbraw/zinc/16/54/06/173165406.db2.gz RXLINJUPWMMDFV-CYBMUJFWSA-N 1 0 216.284 1.236 40 0 BDABRO CN(C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1cccc(N)c1 ZINC000217663551 173180044 /nfs/dbraw/zinc/18/00/44/173180044.db2.gz DANXGDIJIYQMCE-CHWSQXEVSA-N 1 0 247.342 1.002 40 0 BDABRO C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000217673053 173183825 /nfs/dbraw/zinc/18/38/25/173183825.db2.gz YERUOLXDZSNEDO-JQWIXIFHSA-N 1 0 225.719 1.978 40 0 BDABRO C[NH+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2C1 ZINC000063527604 173197120 /nfs/dbraw/zinc/19/71/20/173197120.db2.gz OFWWUNODGAZMAH-STQMWFEESA-N 1 0 230.311 1.320 40 0 BDABRO C[NH2+]C[C@@H](O)c1cn(C)c2ccccc12 ZINC000002002682 173366234 /nfs/dbraw/zinc/36/62/34/173366234.db2.gz XJRPLWKYLPMRIN-GFCCVEGCSA-N 1 0 204.273 1.431 40 0 BDABRO C[NH2+]C[C@H](OC)c1cc(F)ccc1F ZINC000062711471 173377655 /nfs/dbraw/zinc/37/76/55/173377655.db2.gz JPYUNQWXNKIEMC-JTQLQIEISA-N 1 0 201.216 1.872 40 0 BDABRO C[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072203596 173378280 /nfs/dbraw/zinc/37/82/80/173378280.db2.gz MDSFYYLVYHYPGW-SNVBAGLBSA-N 1 0 228.336 1.995 40 0 BDABRO C[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000020220267 173396036 /nfs/dbraw/zinc/39/60/36/173396036.db2.gz DDHTUTQCIFIMSP-UHFFFAOYSA-N 1 0 209.680 1.946 40 0 BDABRO COC(=O)[C@H](C[NH3+])c1c[nH]c2ccccc21 ZINC000021990077 173796537 /nfs/dbraw/zinc/79/65/37/173796537.db2.gz SXWBIFYGTMDPFI-SECBINFHSA-N 1 0 218.256 1.383 40 0 BDABRO COCCC[N@@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000218828607 174230100 /nfs/dbraw/zinc/23/01/00/174230100.db2.gz VYWZRUFXEWYJCB-NWDGAFQWSA-N 1 0 212.337 1.239 40 0 BDABRO COCCC[NH2+]Cc1ccnn1CC(C)C ZINC000256052761 174247990 /nfs/dbraw/zinc/24/79/90/174247990.db2.gz ONYDYIODKTWIPS-UHFFFAOYSA-N 1 0 225.336 1.665 40 0 BDABRO COCCC[NH2+]Cc1cnn(CC(F)F)c1C ZINC000256050751 174248467 /nfs/dbraw/zinc/24/84/67/174248467.db2.gz GINXIAFILHGFRO-UHFFFAOYSA-N 1 0 247.289 1.583 40 0 BDABRO COCC[NH+]1CC(c2[nH]nc3ncccc32)C1 ZINC000072381568 174303645 /nfs/dbraw/zinc/30/36/45/174303645.db2.gz HCWTZVMUGZGQMN-UHFFFAOYSA-N 1 0 232.287 1.004 40 0 BDABRO COCCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000062610209 174311445 /nfs/dbraw/zinc/31/14/45/174311445.db2.gz VMVJJJQWCYNFFH-ZDUSSCGKSA-N 1 0 220.316 1.279 40 0 BDABRO COCC[NH2+]Cc1cccc(C)c1OC ZINC000095094812 174335925 /nfs/dbraw/zinc/33/59/25/174335925.db2.gz QWRAPTSEZRRMQF-UHFFFAOYSA-N 1 0 209.289 1.740 40 0 BDABRO COc1cc(OC2CC[NH2+]CC2)ccn1 ZINC000095483684 175012352 /nfs/dbraw/zinc/01/23/52/175012352.db2.gz NYXYXOQKAFVGJJ-UHFFFAOYSA-N 1 0 208.261 1.221 40 0 BDABRO COc1cc2c(cc1OC)C1=[N+](CCC1)CC2 ZINC000000398492 175024817 /nfs/dbraw/zinc/02/48/17/175024817.db2.gz NQRVIRQTWBNPBI-UHFFFAOYSA-N 1 0 232.303 1.855 40 0 BDABRO COc1ccc(-n2cnc(C[NH3+])c2)cc1 ZINC000082531861 175044633 /nfs/dbraw/zinc/04/46/33/175044633.db2.gz DXRVOCIBBQFHCV-UHFFFAOYSA-N 1 0 203.245 1.340 40 0 BDABRO COc1ccc(C[NH2+]C2CC2)c(OC)c1OC ZINC000008473491 175105592 /nfs/dbraw/zinc/10/55/92/175105592.db2.gz AULJYXGEDLXIFJ-UHFFFAOYSA-N 1 0 237.299 1.964 40 0 BDABRO COc1ccc(N[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218874783 175154020 /nfs/dbraw/zinc/15/40/20/175154020.db2.gz XXDNHQXVLGQASR-NWDGAFQWSA-N 1 0 206.289 1.987 40 0 BDABRO COc1ccc([C@H]2C[C@H]2C[NH3+])cc1OC ZINC000041215828 175198334 /nfs/dbraw/zinc/19/83/34/175198334.db2.gz RAUYVYKEMYHHJA-VHSXEESVSA-N 1 0 207.273 1.766 40 0 BDABRO COc1ccc2c(c1)CC[C@]21COCC[NH2+]1 ZINC000306145562 175209689 /nfs/dbraw/zinc/20/96/89/175209689.db2.gz IPJPYLAJSOBXOX-ZDUSSCGKSA-N 1 0 219.284 1.457 40 0 BDABRO COc1ccc2nccc(C[NH2+]C[C@@H](C)O)c2c1 ZINC000005929889 175230469 /nfs/dbraw/zinc/23/04/69/175230469.db2.gz IXKWRQUPQRPWLK-SNVBAGLBSA-N 1 0 246.310 1.714 40 0 BDABRO COc1cccc(-c2noc3c2C[NH2+]CC3)c1 ZINC000019200445 175238981 /nfs/dbraw/zinc/23/89/81/175238981.db2.gz AXEZHAAUJFWFCB-UHFFFAOYSA-N 1 0 230.267 1.996 40 0 BDABRO COc1cccc(C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000054370329 175243651 /nfs/dbraw/zinc/24/36/51/175243651.db2.gz SQYNRQYEQYKVGQ-SNVBAGLBSA-N 1 0 234.299 1.129 40 0 BDABRO COc1cccc(O[C@@H]2CCC[NH2+]C2)n1 ZINC000082458615 175284381 /nfs/dbraw/zinc/28/43/81/175284381.db2.gz OZSIELSDFTXLPR-SECBINFHSA-N 1 0 208.261 1.221 40 0 BDABRO COc1cccc([C@H]2C[C@@H]2C[NH3+])c1OC ZINC000054586872 175296503 /nfs/dbraw/zinc/29/65/03/175296503.db2.gz UEPSALDSZBPAMV-SCZZXKLOSA-N 1 0 207.273 1.766 40 0 BDABRO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082325707 175336964 /nfs/dbraw/zinc/33/69/64/175336964.db2.gz OPMVFKFQZWUDQY-NSHDSACASA-N 1 0 248.326 1.976 40 0 BDABRO COc1ccccc1[C@@H]1C[C@@]1(C[NH3+])CO ZINC000062713338 175349798 /nfs/dbraw/zinc/34/97/98/175349798.db2.gz AASXMIXJNPBOHJ-CMPLNLGQSA-N 1 0 207.273 1.120 40 0 BDABRO COc1ccccc1[C@H]1C[C@]1(C[NH3+])CO ZINC000062713346 175355435 /nfs/dbraw/zinc/35/54/35/175355435.db2.gz AASXMIXJNPBOHJ-PWSUYJOCSA-N 1 0 207.273 1.120 40 0 BDABRO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000169951764 176093933 /nfs/dbraw/zinc/09/39/33/176093933.db2.gz FIUSVJRWHMQPEW-VXGBXAGGSA-N 1 0 224.348 1.587 40 0 BDABRO C[C@@H]1CCC[C@@H](C(=O)N2CCCCCC2)[NH2+]1 ZINC000019425425 176112490 /nfs/dbraw/zinc/11/24/90/176112490.db2.gz PTALNMZSELWVIG-NEPJUHHUSA-N 1 0 224.348 1.920 40 0 BDABRO C[C@@H](O)C[C@H]1CCC[C@H](C[C@H](C)O)[NH2+]1 ZINC000005083194 177002589 /nfs/dbraw/zinc/00/25/89/177002589.db2.gz RLVDVFLJEJAKEW-LMLFDSFASA-N 1 0 201.310 1.039 40 0 BDABRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](O)C1 ZINC000095089040 177043438 /nfs/dbraw/zinc/04/34/38/177043438.db2.gz IKDJNGOSFJDSOY-GHMZBOCLSA-N 1 0 206.289 1.599 40 0 BDABRO C[C@H](c1nccs1)N(CC[NH3+])C1CC1 ZINC000079436108 177054777 /nfs/dbraw/zinc/05/47/77/177054777.db2.gz FHQBHSFNOVWZLO-MRVPVSSYSA-N 1 0 211.334 1.627 40 0 BDABRO C[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CC[NH2+]1 ZINC000067799603 177226632 /nfs/dbraw/zinc/22/66/32/177226632.db2.gz KUZQWBHBISYFMG-QMMMGPOBSA-N 1 0 240.253 1.399 40 0 BDABRO C[C@H]1CN(C(=O)c2cccc(Cl)c2)CC[NH2+]1 ZINC000062619110 177227454 /nfs/dbraw/zinc/22/74/54/177227454.db2.gz LSICRKDHQWSCCO-VIFPVBQESA-N 1 0 238.718 1.774 40 0 BDABRO C[C@H]1CN(C(=O)c2ccccc2Cl)CC[NH2+]1 ZINC000062619104 177227946 /nfs/dbraw/zinc/22/79/46/177227946.db2.gz DBBOYXSBMQZVHV-VIFPVBQESA-N 1 0 238.718 1.774 40 0 BDABRO C[C@H]1C[NH2+]CCN1Cc1ccc(F)c(F)c1 ZINC000071978821 177283625 /nfs/dbraw/zinc/28/36/25/177283625.db2.gz SLZFSTQFDHZRRM-VIFPVBQESA-N 1 0 226.270 1.759 40 0 BDABRO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccccc1 ZINC000001750996 177286279 /nfs/dbraw/zinc/28/62/79/177286279.db2.gz XAAAKCZAALLCJD-QWRGUYRKSA-N 1 0 218.300 1.509 40 0 BDABRO C[C@H]1C[C@H]([NH3+])c2ccccc2S1(=O)=O ZINC000035752097 177364532 /nfs/dbraw/zinc/36/45/32/177364532.db2.gz ZGKBUKWATUFQGG-CBAPKCEASA-N 1 0 211.286 1.252 40 0 BDABRO COC(=O)[C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]C(C)C ZINC000665887176 487956042 /nfs/dbraw/zinc/95/60/42/487956042.db2.gz ZKWABXYWORROQS-NEBACSHRSA-N 1 0 241.331 1.199 40 0 BDABRO COc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1F ZINC000038539721 323089362 /nfs/dbraw/zinc/08/93/62/323089362.db2.gz AZABUPWECKTWLH-LLVKDONJSA-N 1 0 238.306 1.757 40 0 BDABRO CC(C)(O)c1ccc2c(c1)CCN(CC[NH3+])C2 ZINC000038539992 323089370 /nfs/dbraw/zinc/08/93/70/323089370.db2.gz YZOYWTHCMUBGSP-UHFFFAOYSA-N 1 0 234.343 1.231 40 0 BDABRO CC[NH2+]Cc1ccccc1C(=O)OCC ZINC000228946738 520005864 /nfs/dbraw/zinc/00/58/64/520005864.db2.gz NQTYSLWMTJFJQR-UHFFFAOYSA-N 1 0 207.273 1.973 40 0 BDABRO CC[N@H+](CCO)[C@H]1CCCC[C@H]1N(C)C ZINC000248057055 521124567 /nfs/dbraw/zinc/12/45/67/521124567.db2.gz OYDNNWKIHWGQAS-NEPJUHHUSA-N 1 0 214.353 1.173 40 0 BDABRO CCn1cc(C[NH2+]Cc2ccnn2C)c(C)n1 ZINC000020349905 523385355 /nfs/dbraw/zinc/38/53/55/523385355.db2.gz JLJFLULYCKXXCA-UHFFFAOYSA-N 1 0 233.319 1.235 40 0 BDABRO COc1ccc(C(N)=[NH2+])c(Cl)c1OC ZINC000082491470 523532331 /nfs/dbraw/zinc/53/23/31/523532331.db2.gz VLDOAVFOBDDXBN-UHFFFAOYSA-N 1 0 214.652 1.641 40 0 BDABRO C[NH2+][C@@H]1CCCN(c2ccnc(Cl)n2)C1 ZINC000072203949 536365801 /nfs/dbraw/zinc/36/58/01/536365801.db2.gz AOXLKQRCLNBALB-MRVPVSSYSA-N 1 0 226.711 1.318 40 0 BDABRO COc1ccccc1N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000011632704 537076800 /nfs/dbraw/zinc/07/68/00/537076800.db2.gz PMERMTHNCBOXDU-PHIMTYICSA-N 1 0 220.316 1.882 40 0 BDABRO CC1CC[NH2+]C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001560406586 983935845 /nfs/dbraw/zinc/93/58/45/983935845.db2.gz AYTORFWTVOTKTO-NSHDSACASA-N 1 0 244.322 1.350 40 0 BDABRO C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000072835557 398188498 /nfs/dbraw/zinc/18/84/98/398188498.db2.gz CGCKGRDPDMIMAJ-UHFFFAOYSA-N 1 0 232.327 1.645 40 0 BDABRO Cc1cc(=O)[nH]c(SCC[NH+](C)C)n1 ZINC000016283914 178204204 /nfs/dbraw/zinc/20/42/04/178204204.db2.gz RTVKAXVUQSWHTL-UHFFFAOYSA-N 1 0 213.306 1.144 40 0 BDABRO [NH3+]Cc1cncn1Cc1ccc(F)cc1 ZINC000076639632 398244391 /nfs/dbraw/zinc/24/43/91/398244391.db2.gz IJBBBRBTDVEQDE-UHFFFAOYSA-N 1 0 205.236 1.529 40 0 BDABRO Cc1ccc(-c2nc(CC[NH3+])c[nH]2)cc1 ZINC000062716576 178334973 /nfs/dbraw/zinc/33/49/73/178334973.db2.gz GNUJJSFXEXMZBM-UHFFFAOYSA-N 1 0 201.273 1.886 40 0 BDABRO Cc1ccc(-c2noc(CC[NH3+])n2)c(C)c1 ZINC000082369130 178344224 /nfs/dbraw/zinc/34/42/24/178344224.db2.gz QBMNUNFAAWKWMM-UHFFFAOYSA-N 1 0 217.272 1.855 40 0 BDABRO OC[C@@H](c1cccc(F)c1)[NH+]1CCCC1 ZINC000070453019 259313541 /nfs/dbraw/zinc/31/35/41/259313541.db2.gz JDUPQEBKXOXKTP-LBPRGKRZSA-N 1 0 209.264 1.955 40 0 BDABRO CCOC(=O)[C@@H](N)[C@H](C(C)C)[NH+](CC)CC ZINC000072210523 259316947 /nfs/dbraw/zinc/31/69/47/259316947.db2.gz GMTBAXOOAFAWOT-QWRGUYRKSA-N 1 0 230.352 1.243 40 0 BDABRO Cc1sc2cc(C)ccc2[n+]1CCO ZINC000001590999 342704819 /nfs/dbraw/zinc/70/48/19/342704819.db2.gz UKMIDFYNTJLRJT-UHFFFAOYSA-N 1 0 208.306 1.798 40 0 BDABRO C[C@@]12C[N@H+](Cc3ccccc3)C[C@@H]1COC2=O ZINC000002547047 342723708 /nfs/dbraw/zinc/72/37/08/342723708.db2.gz WYYLGDWDFHKZPL-TZMCWYRMSA-N 1 0 231.295 1.682 40 0 BDABRO Cc1nc(C)c(COC[C@@H]2CC[NH2+]C2)s1 ZINC000585144102 398283778 /nfs/dbraw/zinc/28/37/78/398283778.db2.gz BRTJYMKRERYGIO-SNVBAGLBSA-N 1 0 226.345 1.886 40 0 BDABRO Clc1ncnc2c1C[N@@H+](C1CC1)CC2 ZINC000072221039 259319398 /nfs/dbraw/zinc/31/93/98/259319398.db2.gz MNIUVQUFLIAVQT-UHFFFAOYSA-N 1 0 209.680 1.651 40 0 BDABRO CCOc1cc(C[NH2+]C[C@@H](C)O)ccc1OC ZINC000008254355 342797343 /nfs/dbraw/zinc/79/73/43/342797343.db2.gz LMMYOKIGQFGZSX-SNVBAGLBSA-N 1 0 239.315 1.564 40 0 BDABRO CC(=O)[C@@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC000200989720 342798637 /nfs/dbraw/zinc/79/86/37/342798637.db2.gz LQQGCHIMNKORKR-LBPRGKRZSA-N 1 0 235.283 1.426 40 0 BDABRO Cc1nc(N2CCCCC2)ccc1C[NH3+] ZINC000072224540 259321941 /nfs/dbraw/zinc/32/19/41/259321941.db2.gz PISFWUIQOAHLKC-UHFFFAOYSA-N 1 0 205.305 1.839 40 0 BDABRO N[C@H](C[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000242495501 259326203 /nfs/dbraw/zinc/32/62/03/259326203.db2.gz GFVQRGJVAZDQEI-QWHCGFSZSA-N 1 0 220.316 1.143 40 0 BDABRO COC(C[NH2+]Cc1cccc2[nH]ccc21)OC ZINC000015423472 342896026 /nfs/dbraw/zinc/89/60/26/342896026.db2.gz LPOLWWCPNRYSBQ-UHFFFAOYSA-N 1 0 234.299 1.876 40 0 BDABRO [NH3+]Cc1c2c(c(-c3ccccc3)[nH]c1=O)CCC2 ZINC000217545853 398321711 /nfs/dbraw/zinc/32/17/11/398321711.db2.gz KOHLGEUDMGCUEX-UHFFFAOYSA-N 1 0 240.306 1.989 40 0 BDABRO Cc1c[nH+]c(NC[C@@H]2CCCO2)c(N)c1 ZINC000036226367 342898705 /nfs/dbraw/zinc/89/87/05/342898705.db2.gz KWVBGUXOSBONQM-VIFPVBQESA-N 1 0 207.277 1.563 40 0 BDABRO O=C(C1CCCCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096058559 398312393 /nfs/dbraw/zinc/31/23/93/398312393.db2.gz UEBKAGFYULAQBB-OLZOCXBDSA-N 1 0 236.359 1.920 40 0 BDABRO COc1ccc(C)cc1C[NH2+]CCCCO ZINC000095094915 346900315 /nfs/dbraw/zinc/90/03/15/346900315.db2.gz KWCQKHCUASDJRW-UHFFFAOYSA-N 1 0 223.316 1.866 40 0 BDABRO CSc1ccc(CNCC[NH2+]CCO)cc1 ZINC000022074912 343039361 /nfs/dbraw/zinc/03/93/61/343039361.db2.gz IMDMKICFDBUVQR-UHFFFAOYSA-N 1 0 240.372 1.080 40 0 BDABRO O=C(c1nc2ccccc2s1)N1CC[NH2+]CC1 ZINC000022500981 343050309 /nfs/dbraw/zinc/05/03/09/343050309.db2.gz ORQCNRXLQQHIIN-UHFFFAOYSA-N 1 0 247.323 1.342 40 0 BDABRO CCn1nc(C)cc1[C@@H]1CCCN1CC[NH3+] ZINC000022763055 343053830 /nfs/dbraw/zinc/05/38/30/343053830.db2.gz OOAJODVDOMKPIL-NSHDSACASA-N 1 0 222.336 1.307 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccs1 ZINC000259739550 343138257 /nfs/dbraw/zinc/13/82/57/343138257.db2.gz RWIPGVSQZWLLSB-YUMQZZPRSA-N 1 0 211.286 1.224 40 0 BDABRO CC(=O)N1CCN[C@H](c2ccccc2)C1(C)C ZINC000031962374 343226881 /nfs/dbraw/zinc/22/68/81/343226881.db2.gz UHWZTDBZPTYYLU-CYBMUJFWSA-N 1 0 232.327 1.958 40 0 BDABRO COC(=O)[C@@H](C)C[NH2+]Cc1cccs1 ZINC000035133444 343285835 /nfs/dbraw/zinc/28/58/35/343285835.db2.gz GETWSJVTSCAPOK-QMMMGPOBSA-N 1 0 213.302 1.647 40 0 BDABRO C[C@H](CC(=O)N1CC[NH2+]CC1)CC(C)(C)C ZINC000036889231 343326377 /nfs/dbraw/zinc/32/63/77/343326377.db2.gz YMNUGOCPVHQQNK-LLVKDONJSA-N 1 0 226.364 1.881 40 0 BDABRO CCN(Cc1cccc(C)c1)C(=O)C[NH3+] ZINC000037808633 343312673 /nfs/dbraw/zinc/31/26/73/343312673.db2.gz MEWBVEDILBTOOL-UHFFFAOYSA-N 1 0 206.289 1.302 40 0 BDABRO C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H](C)[NH3+] ZINC000037802966 343313236 /nfs/dbraw/zinc/31/32/36/343313236.db2.gz JYCDSWHICBANAY-DTWKUNHWSA-N 1 0 224.279 1.692 40 0 BDABRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000036379920 343317318 /nfs/dbraw/zinc/31/73/18/343317318.db2.gz HODGRZURVLFVKM-UTLUCORTSA-N 1 0 226.320 1.509 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH3+])[C@@H](F)C1 ZINC000217553120 343588795 /nfs/dbraw/zinc/58/87/95/343588795.db2.gz JEOYTRTYHMXANL-ZJUUUORDSA-N 1 0 246.326 1.930 40 0 BDABRO COc1ncc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)n1 ZINC000096311750 343668423 /nfs/dbraw/zinc/66/84/23/343668423.db2.gz LNYATJYWPIGPQV-PBINXNQUSA-N 1 0 249.314 1.492 40 0 BDABRO OC[C@@H]1C[NH2+]C[C@H]1c1ccc(Br)o1 ZINC000409422880 343814271 /nfs/dbraw/zinc/81/42/71/343814271.db2.gz LPMHZQWBOLYQLI-NKWVEPMBSA-N 1 0 246.104 1.337 40 0 BDABRO C[C@@H](Cn1cc(C[NH3+])nn1)c1ccccc1 ZINC000384710615 343810300 /nfs/dbraw/zinc/81/03/00/343810300.db2.gz GHVPHJLDKHBVQE-JTQLQIEISA-N 1 0 216.288 1.541 40 0 BDABRO CCOCCn1cc(C2CC[NH2+]CC2)cn1 ZINC000575623318 343875790 /nfs/dbraw/zinc/87/57/90/343875790.db2.gz IJSOBRTTWUGSKK-UHFFFAOYSA-N 1 0 223.320 1.387 40 0 BDABRO [NH3+]CCn1nc(-c2cccc(Cl)c2)ccc1=O ZINC000575622378 343869760 /nfs/dbraw/zinc/86/97/60/343869760.db2.gz KNRJCQBNYBXKJN-UHFFFAOYSA-N 1 0 249.701 1.522 40 0 BDABRO Cc1ccc(-c2ccc(=O)n(CC[NH3+])n2)s1 ZINC000575622713 343874806 /nfs/dbraw/zinc/87/48/06/343874806.db2.gz RBCLGTYRZDBFFS-UHFFFAOYSA-N 1 0 235.312 1.239 40 0 BDABRO Cc1cnc(NC(=O)[C@@H]([NH3+])C(C)C)s1 ZINC000019435030 347020372 /nfs/dbraw/zinc/02/03/72/347020372.db2.gz PBGIZPSZAFRNPN-ZETCQYMHSA-N 1 0 213.306 1.373 40 0 BDABRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccn1 ZINC000019519643 347023931 /nfs/dbraw/zinc/02/39/31/347023931.db2.gz SBCMBPWGCXAFCF-MWLCHTKSSA-N 1 0 221.304 1.071 40 0 BDABRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccsc3)[C@@H]2C1 ZINC000585107623 344135096 /nfs/dbraw/zinc/13/50/96/344135096.db2.gz ALQLHJFBHMVPPA-GXSJLCMTSA-N 1 0 236.340 1.524 40 0 BDABRO CC(C)[C@@H]1CCC(=O)N1[C@H]1CCC[NH2+]C1 ZINC000256054291 344146937 /nfs/dbraw/zinc/14/69/37/344146937.db2.gz VSYYGCWDQMHTMI-QWRGUYRKSA-N 1 0 210.321 1.385 40 0 BDABRO C[NH2+]C[C@@H]1C[C@]12CCOc1ccccc12 ZINC000054589279 259374072 /nfs/dbraw/zinc/37/40/72/259374072.db2.gz KOEDKUUFMBXKGV-GXFFZTMASA-N 1 0 203.285 1.946 40 0 BDABRO c1c[nH]c(-c2cnc([C@H]3CCC[NH2+]3)cn2)n1 ZINC000585178859 344276308 /nfs/dbraw/zinc/27/63/08/344276308.db2.gz SZHWJGFEWVCLAY-MRVPVSSYSA-N 1 0 215.260 1.291 40 0 BDABRO CC(C)C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC000096076128 344366359 /nfs/dbraw/zinc/36/63/59/344366359.db2.gz NAANVEHYGWXDKY-CQSZACIVSA-N 1 0 246.358 1.787 40 0 BDABRO Fc1ccc(-c2noc([C@@H]3CC[NH2+]C3)n2)cc1 ZINC000062119650 344423893 /nfs/dbraw/zinc/42/38/93/344423893.db2.gz JBVCXJIUYHCGHH-SECBINFHSA-N 1 0 233.246 1.953 40 0 BDABRO CC(C)C[N@H+](C(C)C)[C@H]1CNCC[C@@]1(C)O ZINC000300919545 537868158 /nfs/dbraw/zinc/86/81/58/537868158.db2.gz UBSCCVCQHXEPTB-QWHCGFSZSA-N 1 0 228.380 1.466 40 0 BDABRO [NH3+]C[C@@H](O)c1c[nH]c2cc(Cl)ccc21 ZINC000070453450 345733600 /nfs/dbraw/zinc/73/36/00/345733600.db2.gz NMAZUWJVNUEDAP-SNVBAGLBSA-N 1 0 210.664 1.813 40 0 BDABRO Cc1cccc(C)c1NC(=O)CSC(N)=[NH2+] ZINC000005548767 179041104 /nfs/dbraw/zinc/04/11/04/179041104.db2.gz GNLRCNVSCRQBPV-UHFFFAOYSA-N 1 0 237.328 1.869 40 0 BDABRO Cc1cccc(CO[C@@H]2CCOC3(C[NH2+]C3)C2)n1 ZINC000247874907 179103516 /nfs/dbraw/zinc/10/35/16/179103516.db2.gz NOEBKWFTSHKUIS-CYBMUJFWSA-N 1 0 248.326 1.428 40 0 BDABRO Cc1cccc(N(C)C(=O)[C@H]2CCC[NH2+]2)c1 ZINC000067803630 179113972 /nfs/dbraw/zinc/11/39/72/179113972.db2.gz PNJJTGJUJKGJDD-GFCCVEGCSA-N 1 0 218.300 1.710 40 0 BDABRO Cc1c(N)cccc1NC(=O)C[NH+]1CCCC1 ZINC000008703595 346682232 /nfs/dbraw/zinc/68/22/32/346682232.db2.gz APSBOOLONUQYLH-UHFFFAOYSA-N 1 0 233.315 1.612 40 0 BDABRO Cc1cccc(OCCN2CCC[NH2+]CC2)c1C ZINC000041302309 179166310 /nfs/dbraw/zinc/16/63/10/179166310.db2.gz AXZPCEFFDQINKM-UHFFFAOYSA-N 1 0 248.370 1.978 40 0 BDABRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC000097759035 347285618 /nfs/dbraw/zinc/28/56/18/347285618.db2.gz LXHKJNUHNLXPDI-NXEZZACHSA-N 1 0 228.336 1.981 40 0 BDABRO CC(C)N(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)[O-] ZINC000101677329 347287197 /nfs/dbraw/zinc/28/71/97/347287197.db2.gz BGVCLLPQIGTKJH-GHMZBOCLSA-N 1 0 228.336 1.312 40 0 BDABRO Cc1cccc2[nH]cc([C@@H](O)CC[NH3+])c21 ZINC000082380337 179207989 /nfs/dbraw/zinc/20/79/89/179207989.db2.gz QEZDPRFBGVJZSI-NSHDSACASA-N 1 0 204.273 1.859 40 0 BDABRO CCOCC[N@@H+]1CC[C@@H](c2nc(C)c[nH]2)C1 ZINC000205683680 347453611 /nfs/dbraw/zinc/45/36/11/347453611.db2.gz ZFERHVSTOGBKLF-LLVKDONJSA-N 1 0 223.320 1.544 40 0 BDABRO CCOCC[N@@H+]1CC[C@H](c2nc(C)c[nH]2)C1 ZINC000205683659 347454111 /nfs/dbraw/zinc/45/41/11/347454111.db2.gz ZFERHVSTOGBKLF-NSHDSACASA-N 1 0 223.320 1.544 40 0 BDABRO Cc1ccccc1[C@@H]([NH3+])[C@H](C)S(C)(=O)=O ZINC000096524794 179325084 /nfs/dbraw/zinc/32/50/84/179325084.db2.gz SUJCGQFFOZYVNE-ONGXEEELSA-N 1 0 227.329 1.428 40 0 BDABRO Cn1cncc1-c1cnc(C[C@@H]2CC[NH2+]C2)cn1 ZINC000205707324 348578722 /nfs/dbraw/zinc/57/87/22/348578722.db2.gz BYLVPJCGQVZNRM-JTQLQIEISA-N 1 0 243.314 1.029 40 0 BDABRO Cc1nc(N(C)C)cc([C@]2(C)CCC[NH2+]C2)n1 ZINC000205705747 348578854 /nfs/dbraw/zinc/57/88/54/348578854.db2.gz ZEUCCMWPHFWZII-CYBMUJFWSA-N 1 0 234.347 1.492 40 0 BDABRO Cc1cc(=O)cc(C)n1-[n+]1ccccc1 ZINC000005378570 348786136 /nfs/dbraw/zinc/78/61/36/348786136.db2.gz FUTOXZTZCKBBOU-UHFFFAOYSA-N 1 0 201.249 1.064 40 0 BDABRO NNc1[nH+]ncc(N2CCCCC2)c1Cl ZINC000062714271 259405208 /nfs/dbraw/zinc/40/52/08/259405208.db2.gz NLRIPSBOJZJROD-UHFFFAOYSA-N 1 0 227.699 1.406 40 0 BDABRO O=C1C[C@]2(CN1Cc1cccnc1)CCCC[NH2+]2 ZINC000306125040 538043314 /nfs/dbraw/zinc/04/33/14/538043314.db2.gz CFLYLUVVUOGOLV-AWEZNQCLSA-N 1 0 245.326 1.326 40 0 BDABRO C1CC(c2noc([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000083120095 191007541 /nfs/dbraw/zinc/00/75/41/191007541.db2.gz LAQFVWYALJVRDX-SECBINFHSA-N 1 0 207.277 1.804 40 0 BDABRO Cc1nc(N2CCCC2)nc2c1CC[NH2+]CC2 ZINC000096254646 180001041 /nfs/dbraw/zinc/00/10/41/180001041.db2.gz YSYPALFGJCXJCF-UHFFFAOYSA-N 1 0 232.331 1.073 40 0 BDABRO Cc1nc2ccccc2c(N2CC[C@@H]([NH3+])C2)n1 ZINC000096516018 180003915 /nfs/dbraw/zinc/00/39/15/180003915.db2.gz UWCOXYYPAUZJPX-SNVBAGLBSA-N 1 0 228.299 1.476 40 0 BDABRO Cc1nc([C@H]2CCC[NH2+]2)cc(N(C)C)n1 ZINC000257302027 180055926 /nfs/dbraw/zinc/05/59/26/180055926.db2.gz SBBVHOGGSISQPS-SECBINFHSA-N 1 0 206.293 1.276 40 0 BDABRO Cn1c2ccccc2nc1SCC[NH3+] ZINC000031892784 350174322 /nfs/dbraw/zinc/17/43/22/350174322.db2.gz CTFUWMGIWZBDEU-UHFFFAOYSA-N 1 0 207.302 1.624 40 0 BDABRO O=C(C(F)F)N1CCC2(CCC[NH2+]C2)CC1 ZINC000096047363 191055138 /nfs/dbraw/zinc/05/51/38/191055138.db2.gz VOGAZENPGPMQFO-UHFFFAOYSA-N 1 0 232.274 1.244 40 0 BDABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]12 ZINC000096251839 191055833 /nfs/dbraw/zinc/05/58/33/191055833.db2.gz WCQJCPQKOYWKJR-LSDHHAIUSA-N 1 0 244.338 1.539 40 0 BDABRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc[nH]n1 ZINC000105442660 180266284 /nfs/dbraw/zinc/26/62/84/180266284.db2.gz PRRMDOKRQSALNR-JTQLQIEISA-N 1 0 233.319 1.341 40 0 BDABRO Cc1ncnc2c1CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096254991 180291514 /nfs/dbraw/zinc/29/15/14/180291514.db2.gz BGXPTQSTVCJZQI-LBPRGKRZSA-N 1 0 247.342 1.222 40 0 BDABRO O=C(c1ccc(F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932117 350322003 /nfs/dbraw/zinc/32/20/03/350322003.db2.gz VSSQENKHBSPCNR-CYBMUJFWSA-N 1 0 248.301 1.746 40 0 BDABRO Cc1nn(C)c(N)c1C1=CC[N@H+](C)CC1 ZINC000021148050 180355877 /nfs/dbraw/zinc/35/58/77/180355877.db2.gz QHIZYXKWAAPZKX-UHFFFAOYSA-N 1 0 206.293 1.030 40 0 BDABRO CN(C)c1cc(CC2CC[NH2+]CC2)ncn1 ZINC000019686808 351265361 /nfs/dbraw/zinc/26/53/61/351265361.db2.gz JDJMSNXPTIAQBJ-UHFFFAOYSA-N 1 0 220.320 1.085 40 0 BDABRO CC(C)(C)OC(=O)[C@@H](N)[C@]1(C)CCC[NH2+]C1 ZINC000602985552 351866199 /nfs/dbraw/zinc/86/61/99/351866199.db2.gz LEAYJOBYTRDDGM-BXKDBHETSA-N 1 0 228.336 1.045 40 0 BDABRO CC(C)Cn1ccc([C@H]2CCCN2CC[NH3+])n1 ZINC000022763164 187592332 /nfs/dbraw/zinc/59/23/32/187592332.db2.gz GYRUHFBWVQELPH-CYBMUJFWSA-N 1 0 236.363 1.635 40 0 BDABRO CC(C)[C@H]([NH3+])c1nc(-c2ccccn2)n[nH]1 ZINC000095534728 187627431 /nfs/dbraw/zinc/62/74/31/187627431.db2.gz MVFSPIWPBBXOEI-VIFPVBQESA-N 1 0 217.276 1.523 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000034639029 363149020 /nfs/dbraw/zinc/14/90/20/363149020.db2.gz RZEZOADMYHLFJC-NWDGAFQWSA-N 1 0 237.274 1.692 40 0 BDABRO C[C@H]([NH3+])C(=O)N(C)Cc1cccc(F)c1 ZINC000020266674 363145700 /nfs/dbraw/zinc/14/57/00/363145700.db2.gz YMAGPPKZZBRKND-QMMMGPOBSA-N 1 0 210.252 1.131 40 0 BDABRO [NH3+][C@@H](c1ccccc1)c1ccc(=O)[nH]c1 ZINC000045815035 353200835 /nfs/dbraw/zinc/20/08/35/353200835.db2.gz FJAYFIQHIXJDKQ-LBPRGKRZSA-N 1 0 200.241 1.423 40 0 BDABRO Nc1cc(SCc2ccccc2)[nH+]c(N)n1 ZINC000001670209 188274274 /nfs/dbraw/zinc/27/42/74/188274274.db2.gz ATPMWVFWJFZLJM-UHFFFAOYSA-N 1 0 232.312 1.933 40 0 in-vitro BDABRO CC(C)N(C)[C@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079418526 188291413 /nfs/dbraw/zinc/29/14/13/188291413.db2.gz BKJJZGNQAKTVIZ-RYUDHWBXSA-N 1 0 214.353 1.220 40 0 BDABRO CC(C)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000067800934 188305094 /nfs/dbraw/zinc/30/50/94/188305094.db2.gz ZAKSXYZRRWKMGM-SNVBAGLBSA-N 1 0 228.336 1.994 40 0 BDABRO O=C(CC1CCCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000096058530 188321642 /nfs/dbraw/zinc/32/16/42/188321642.db2.gz ZQXHJFCTXJBWDR-QWRGUYRKSA-N 1 0 208.305 1.139 40 0 BDABRO Fc1c(Cl)cccc1CN1CC[NH2+]CC1 ZINC000067799657 180946204 /nfs/dbraw/zinc/94/62/04/180946204.db2.gz DMXMRGJIULSPNE-UHFFFAOYSA-N 1 0 228.698 1.884 40 0 BDABRO CCCC[C@@H]1C[C@H](OCCOC)C[NH2+]1 ZINC000217863970 188356069 /nfs/dbraw/zinc/35/60/69/188356069.db2.gz VXEYEVIROCLAAV-MNOVXSKESA-N 1 0 201.310 1.570 40 0 BDABRO Fc1ccccc1OC[C@@H]1C[NH2+]CCO1 ZINC000070649717 181015138 /nfs/dbraw/zinc/01/51/38/181015138.db2.gz JMYJHEGHEKRAIB-VIFPVBQESA-N 1 0 211.236 1.193 40 0 BDABRO C[NH+](C)Cc1[nH]nc(N)c1-c1cccc(F)c1 ZINC000026511498 357164257 /nfs/dbraw/zinc/16/42/57/357164257.db2.gz NVKWIRZQLSNVPM-UHFFFAOYSA-N 1 0 234.278 1.860 40 0 BDABRO [NH3+][C@H]1CCCC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000041064635 357333185 /nfs/dbraw/zinc/33/31/85/357333185.db2.gz ILZVDZXGAFHHND-RYUDHWBXSA-N 1 0 244.294 1.553 40 0 BDABRO Cn1cc(C[NH2+]Cc2cccnc2)cn1 ZINC000011920303 357338898 /nfs/dbraw/zinc/33/88/98/357338898.db2.gz SAIQVJAEEZNICK-UHFFFAOYSA-N 1 0 202.261 1.105 40 0 BDABRO [NH3+]C1(c2ccc(F)c(F)c2)CCOCC1 ZINC000063077098 181334212 /nfs/dbraw/zinc/33/42/12/181334212.db2.gz KMAMAFGEEHVRDG-UHFFFAOYSA-N 1 0 213.227 1.929 40 0 BDABRO [NH3+]C1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000036754454 181344364 /nfs/dbraw/zinc/34/43/64/181344364.db2.gz KMDVUQIDTIHMKV-UHFFFAOYSA-N 1 0 225.723 1.658 40 0 BDABRO [NH3+]CC1(Cc2ccccn2)CCOCC1 ZINC000085652921 181360584 /nfs/dbraw/zinc/36/05/84/181360584.db2.gz UTWPPGRZOANATB-UHFFFAOYSA-N 1 0 206.289 1.380 40 0 BDABRO [NH3+]CC1([C@H](O)c2cccc(F)c2)CCOCC1 ZINC000085395856 181361588 /nfs/dbraw/zinc/36/15/88/181361588.db2.gz CLIHHDMJTLSWAH-GFCCVEGCSA-N 1 0 239.290 1.615 40 0 BDABRO [NH3+]CCc1ncc(Br)cc1Cl ZINC000095096692 181414217 /nfs/dbraw/zinc/41/42/17/181414217.db2.gz AUSZCYYYLSDRDH-UHFFFAOYSA-N 1 0 235.512 1.999 40 0 BDABRO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2N1 ZINC000019371700 368318433 /nfs/dbraw/zinc/31/84/33/368318433.db2.gz GJKKQZRBXZTOFB-OLZOCXBDSA-N 1 0 230.311 1.397 40 0 BDABRO Cc1c[nH]nc1[C@]1(C)C[N@H+](CC2CC2)CCO1 ZINC000205679135 368357197 /nfs/dbraw/zinc/35/71/97/368357197.db2.gz RVBJPWITZUSFHD-ZDUSSCGKSA-N 1 0 235.331 1.676 40 0 BDABRO CC(C)[N@@H+]1CC[C@@H](c2cc(CCO)on2)C1 ZINC000205701206 368359868 /nfs/dbraw/zinc/35/98/68/368359868.db2.gz OWMWJHWZIGYGAT-SNVBAGLBSA-N 1 0 224.304 1.407 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(N(C)C)cc1 ZINC000259758185 370938680 /nfs/dbraw/zinc/93/86/80/370938680.db2.gz LBLTZAGALIHVHZ-OLZOCXBDSA-N 1 0 248.326 1.229 40 0 BDABRO c1cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)ccn1 ZINC000062256911 369996781 /nfs/dbraw/zinc/99/67/81/369996781.db2.gz LNUKRUOWYKQRPU-SNVBAGLBSA-N 1 0 230.271 1.599 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000038539745 181645314 /nfs/dbraw/zinc/64/53/14/181645314.db2.gz LSBMZDSHWOJQGZ-JTQLQIEISA-N 1 0 226.270 1.888 40 0 BDABRO C[C@@H]1CCCCN1[C@H](C[NH3+])C(F)(F)F ZINC000252470034 259547401 /nfs/dbraw/zinc/54/74/01/259547401.db2.gz OWRCACAIDABAEN-HTQZYQBOSA-N 1 0 210.243 1.750 40 0 BDABRO Clc1cc(N[C@@H]2CCC[NH2+]C2)ncn1 ZINC000038579834 372709741 /nfs/dbraw/zinc/70/97/41/372709741.db2.gz DRTMJPADPAVOCG-SSDOTTSWSA-N 1 0 212.684 1.294 40 0 BDABRO O=C(C[C@@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000020597501 182016268 /nfs/dbraw/zinc/01/62/68/182016268.db2.gz GSOGXYPXTCZJKD-NSHDSACASA-N 1 0 210.321 1.531 40 0 BDABRO O=C(C[C@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000020597494 182026810 /nfs/dbraw/zinc/02/68/10/182026810.db2.gz ZFXQMLGDIXYJGT-GFCCVEGCSA-N 1 0 224.348 1.921 40 0 BDABRO O=C(c1ccoc1)N1CCC2(CCC[NH2+]2)CC1 ZINC000096049362 182691310 /nfs/dbraw/zinc/69/13/10/182691310.db2.gz GJHGVQMRVZVXQG-UHFFFAOYSA-N 1 0 234.299 1.638 40 0 BDABRO O=C1C[C@]2(CC[NH2+]C2)CN1c1ccc(F)cc1 ZINC000096238729 182787367 /nfs/dbraw/zinc/78/73/67/182787367.db2.gz SCKCIDDVRNYOAP-ZDUSSCGKSA-N 1 0 234.274 1.542 40 0 BDABRO OCC1([NH2+]C[C@H]2C[C@@H]3C=C[C@H]2C3)CCOCC1 ZINC000085325043 183038918 /nfs/dbraw/zinc/03/89/18/183038918.db2.gz MCHHVLUDGJROQR-FRRDWIJNSA-N 1 0 237.343 1.330 40 0 BDABRO OCC[N@@H+](Cc1cccs1)C[C@H]1CCOC1 ZINC000013997456 183069617 /nfs/dbraw/zinc/06/96/17/183069617.db2.gz ATHJADXEKOGRAI-LLVKDONJSA-N 1 0 241.356 1.579 40 0 BDABRO OCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000048065348 183070532 /nfs/dbraw/zinc/07/05/32/183070532.db2.gz KUOJJNMPXQLOTM-UHFFFAOYSA-N 1 0 209.264 1.782 40 0 BDABRO OCC[C@@H]1C[NH2+]Cc2ccc(Cl)cc21 ZINC000095884224 183095912 /nfs/dbraw/zinc/09/59/12/183095912.db2.gz QOXXDULXUFIWDV-SECBINFHSA-N 1 0 211.692 1.909 40 0 BDABRO O[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000036141186 183186887 /nfs/dbraw/zinc/18/68/87/183186887.db2.gz YACWOHWWWFUHCI-LLVKDONJSA-N 1 0 219.284 1.625 40 0 BDABRO c1[nH]nc2ccc(OC3CC[NH2+]CC3)cc12 ZINC000089196800 183364820 /nfs/dbraw/zinc/36/48/20/183364820.db2.gz SQOUWVIWJUQUEP-UHFFFAOYSA-N 1 0 217.272 1.694 40 0 BDABRO c1cc2n(n1)[C@@H](COCC1CCCC1)C[NH2+]C2 ZINC000247877703 183377668 /nfs/dbraw/zinc/37/76/68/183377668.db2.gz OSMMVCALQPMDBD-CYBMUJFWSA-N 1 0 235.331 1.734 40 0 BDABRO CCC[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000013651562 169266369 /nfs/dbraw/zinc/26/63/69/169266369.db2.gz NPKYMIRDLVCNGF-UHFFFAOYSA-N 1 0 225.288 1.909 40 0 BDABRO CCC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000054719450 169269006 /nfs/dbraw/zinc/26/90/06/169269006.db2.gz JWQMAKPLIKEIFJ-UHFFFAOYSA-N 1 0 221.226 1.945 40 0 BDABRO c1ccc(N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000002527315 183413213 /nfs/dbraw/zinc/41/32/13/183413213.db2.gz QPHJQCAPTXSDDP-ZDUSSCGKSA-N 1 0 202.301 1.876 40 0 BDABRO CCCOc1ccccc1CNCC[NH3+] ZINC000072226338 169326507 /nfs/dbraw/zinc/32/65/07/169326507.db2.gz YQMDGQGSKWSCTA-UHFFFAOYSA-N 1 0 208.305 1.524 40 0 BDABRO O=C(OCc1ccccc1)N1CC[NH2+]C2(CC2)C1 ZINC000066354461 383859851 /nfs/dbraw/zinc/85/98/51/383859851.db2.gz FTSCFSJJJUMAKO-UHFFFAOYSA-N 1 0 246.310 1.761 40 0 BDABRO Cc1ccc2ncn(CN3CCOCC3)c2c1 ZINC000073634229 384025853 /nfs/dbraw/zinc/02/58/53/384025853.db2.gz HTJXIXAGFAVNLC-UHFFFAOYSA-N 1 0 231.299 1.634 40 0 BDABRO O=C(Oc1ccccc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321777 384043261 /nfs/dbraw/zinc/04/32/61/384043261.db2.gz RDPGOLKUJJFFLH-GHMZBOCLSA-N 1 0 232.283 1.337 40 0 BDABRO O=C(Oc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321776 384043278 /nfs/dbraw/zinc/04/32/78/384043278.db2.gz RDPGOLKUJJFFLH-PHIMTYICSA-N 1 0 232.283 1.337 40 0 BDABRO CCCCOC(=O)NCCSC(N)=[NH2+] ZINC000004803317 384083925 /nfs/dbraw/zinc/08/39/25/384083925.db2.gz XINLJIOBKOXRND-UHFFFAOYSA-N 1 0 219.310 1.139 40 0 BDABRO C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000005509009 384119141 /nfs/dbraw/zinc/11/91/41/384119141.db2.gz FLMRCMWDPRPBGI-CHWSQXEVSA-N 1 0 232.327 1.468 40 0 BDABRO CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H](C)c1nccs1 ZINC000079436381 384146581 /nfs/dbraw/zinc/14/65/81/384146581.db2.gz XLQOPXWGRQOJGM-IUCAKERBSA-N 1 0 241.360 1.788 40 0 BDABRO CC(C)(C)OC(=O)N(C[C@H]1CC[NH2+]C1)C1CC1 ZINC000079437693 384146669 /nfs/dbraw/zinc/14/66/69/384146669.db2.gz PQGSIZQTHUKZTK-JTQLQIEISA-N 1 0 240.347 1.995 40 0 BDABRO C[N@H+](CCO)Cc1ccc(Br)nc1 ZINC000079421505 384142117 /nfs/dbraw/zinc/14/21/17/384142117.db2.gz HZBPJRXWYTVUPZ-UHFFFAOYSA-N 1 0 245.120 1.268 40 0 BDABRO CC(C)[N@H+](CCO)[C@@H](C)c1ccccn1 ZINC000079421735 384144269 /nfs/dbraw/zinc/14/42/69/384144269.db2.gz YFGBJFKWCOZWES-NSHDSACASA-N 1 0 208.305 1.845 40 0 BDABRO CC[C@H](c1ccccc1)N(C)C(=O)[C@H](C)[NH3+] ZINC000079421258 384144891 /nfs/dbraw/zinc/14/48/91/384144891.db2.gz DCHFAJJXEQGGDU-CMPLNLGQSA-N 1 0 220.316 1.943 40 0 BDABRO [NH3+]CCOc1ccc(OC(F)F)cc1 ZINC000041211468 384182028 /nfs/dbraw/zinc/18/20/28/384182028.db2.gz OTDNAIXZYDEIES-UHFFFAOYSA-N 1 0 203.188 1.626 40 0 BDABRO COc1ccc(C[NH2+]C[C@H](C)O)c(OC)c1 ZINC000008498027 384204312 /nfs/dbraw/zinc/20/43/12/384204312.db2.gz AAQKZKGMNFUSBM-VIFPVBQESA-N 1 0 225.288 1.174 40 0 BDABRO CN(C)c1cc([C@H]2CCC[N@@H+]2C)ccn1 ZINC000072381250 384217627 /nfs/dbraw/zinc/21/76/27/384217627.db2.gz ZDQAUSSZYFTLRN-LLVKDONJSA-N 1 0 205.305 1.914 40 0 BDABRO c1cc([C@H]2CCC[NH2+]2)nc(N2CCCOCC2)c1 ZINC000072386869 384220535 /nfs/dbraw/zinc/22/05/35/384220535.db2.gz AWDSQQQTBXJKRJ-GFCCVEGCSA-N 1 0 247.342 1.733 40 0 BDABRO Cc1ccc(C)c(-n2cnc(C[NH3+])c2)c1 ZINC000082531496 384222525 /nfs/dbraw/zinc/22/25/25/384222525.db2.gz MSTUZAZDAKMKHZ-UHFFFAOYSA-N 1 0 201.273 1.948 40 0 BDABRO C[NH+]1CCC(CC(=O)NCc2ccco2)CC1 ZINC000074920907 384312053 /nfs/dbraw/zinc/31/20/53/384312053.db2.gz MOCLBDZFIQVZLM-UHFFFAOYSA-N 1 0 236.315 1.628 40 0 BDABRO C[NH+]1CCC(C(=O)NCc2ccncc2)CC1 ZINC000074707343 384299590 /nfs/dbraw/zinc/29/95/90/384299590.db2.gz GRUCBYMCZARJSI-UHFFFAOYSA-N 1 0 233.315 1.040 40 0 BDABRO C[NH+]1CCC(C(=O)NCCc2ccccc2)CC1 ZINC000074707345 384300888 /nfs/dbraw/zinc/30/08/88/384300888.db2.gz NRMCMXSQLHAQPU-UHFFFAOYSA-N 1 0 246.354 1.687 40 0 BDABRO Cc1cccc(N2CCC[C@]3(C[NH2+]CCO3)C2)c1 ZINC000096226241 384341945 /nfs/dbraw/zinc/34/19/45/384341945.db2.gz ZVEJKBLSHWSXCR-HNNXBMFYSA-N 1 0 246.354 1.954 40 0 BDABRO [NH3+]CCn1ncc2cc(Br)ccc21 ZINC000075883827 384345650 /nfs/dbraw/zinc/34/56/50/384345650.db2.gz HLWVAFIWGITFAJ-UHFFFAOYSA-N 1 0 240.104 1.758 40 0 BDABRO O=C1NCCC12CC[NH+](Cc1cccnc1)CC2 ZINC000096046694 384426955 /nfs/dbraw/zinc/42/69/55/384426955.db2.gz HBQNXBKJRIKYCJ-UHFFFAOYSA-N 1 0 245.326 1.184 40 0 BDABRO [NH3+]C[C@@H](O)c1cccc(Cl)c1Cl ZINC000013858477 384376533 /nfs/dbraw/zinc/37/65/33/384376533.db2.gz VLSXVFMMYPAJSR-SSDOTTSWSA-N 1 0 206.072 1.986 40 0 BDABRO C[C@@H]([NH3+])c1nnc(-c2ccc(O)cc2)[nH]1 ZINC000061843915 384383297 /nfs/dbraw/zinc/38/32/97/384383297.db2.gz ULNOECSBYOKOHC-ZCFIWIBFSA-N 1 0 204.233 1.197 40 0 BDABRO Cc1ccc(C[N@@H+]2CC[C@H]3NC(=O)C[C@@H]32)s1 ZINC000096245725 384445517 /nfs/dbraw/zinc/44/55/17/384445517.db2.gz KRRHHNIMYDBJNW-MNOVXSKESA-N 1 0 236.340 1.519 40 0 BDABRO CO[C@@H]1CC[N@H+](CCO)[C@H]1Cc1ccccc1 ZINC000096261287 384447411 /nfs/dbraw/zinc/44/74/11/384447411.db2.gz DTOJIVKDEHFSOZ-UONOGXRCSA-N 1 0 235.327 1.311 40 0 BDABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccco3)CC2)N1 ZINC000096047434 384428493 /nfs/dbraw/zinc/42/84/93/384428493.db2.gz XXQFJNGEJZPGJL-CQSZACIVSA-N 1 0 248.326 1.914 40 0 BDABRO Cc1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]32)o1 ZINC000096056442 384428773 /nfs/dbraw/zinc/42/87/73/384428773.db2.gz NQKHCFNZQKWJIH-NEPJUHHUSA-N 1 0 234.299 1.441 40 0 BDABRO CCc1cccc(NC(=O)N2C[C@H]3C[C@@]3([NH3+])C2)c1 ZINC000096054890 384429119 /nfs/dbraw/zinc/42/91/19/384429119.db2.gz DCBHTHSBIBXWPO-BXUZGUMPSA-N 1 0 245.326 1.814 40 0 BDABRO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)CNC(=O)[C@@H]3C)o1 ZINC000096092769 384434826 /nfs/dbraw/zinc/43/48/26/384434826.db2.gz PNCSJVBFDKKJNW-MDZLAQPJSA-N 1 0 248.326 1.402 40 0 BDABRO O=C1NCC[C@@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096223789 384441992 /nfs/dbraw/zinc/44/19/92/384441992.db2.gz VFEGKQAGVQMSTH-CYBMUJFWSA-N 1 0 234.299 1.382 40 0 BDABRO CO[C@@H]1CO[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096218349 384443321 /nfs/dbraw/zinc/44/33/21/384443321.db2.gz VEKMASJUMRBDAS-KBPBESRZSA-N 1 0 248.326 1.461 40 0 BDABRO Cc1cc[nH+]c(NN)c1Br ZINC000118466131 384488197 /nfs/dbraw/zinc/48/81/97/384488197.db2.gz HCNJNOGZNOKAJR-UHFFFAOYSA-N 1 0 202.055 1.438 40 0 BDABRO CC(C)(C)CC(=O)N[C@H]1CC[C@@H]([NH3+])CC1 ZINC000238144189 384513285 /nfs/dbraw/zinc/51/32/85/384513285.db2.gz MXTMMMIPAAPPOO-MGCOHNPYSA-N 1 0 212.337 1.809 40 0 BDABRO Cc1cc(C[NH3+])ccc1[C@H]1CCNC(=O)C1 ZINC000199775673 384540139 /nfs/dbraw/zinc/54/01/39/384540139.db2.gz NIAOEPBQULTKIA-NSHDSACASA-N 1 0 218.300 1.447 40 0 BDABRO Cc1ccc(N(C)C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000050008751 384584264 /nfs/dbraw/zinc/58/42/64/384584264.db2.gz KIXLROUUDDGLKR-LBPRGKRZSA-N 1 0 218.300 1.710 40 0 BDABRO CCOc1cccc2c1N(C)C[C@@H](C[NH3+])C2 ZINC000083017598 384624506 /nfs/dbraw/zinc/62/45/06/384624506.db2.gz VYDZZJINJXHJEH-SNVBAGLBSA-N 1 0 220.316 1.653 40 0 BDABRO c1ccn(Cc2ncn3c2C[NH2+]CCC3)c1 ZINC000101144992 384665952 /nfs/dbraw/zinc/66/59/52/384665952.db2.gz SYUGSIVOXKLQLQ-UHFFFAOYSA-N 1 0 216.288 1.226 40 0 BDABRO CC(C)c1nsc(N2CC[NH2+]CC2)n1 ZINC000083650255 384786670 /nfs/dbraw/zinc/78/66/70/384786670.db2.gz FPKGXUVCJONZOI-UHFFFAOYSA-N 1 0 212.322 1.071 40 0 BDABRO C[C@@H]([NH3+])c1cn(C(=O)OC(C)(C)C)cn1 ZINC000026896567 384887612 /nfs/dbraw/zinc/88/76/12/384887612.db2.gz DPJDQNIFLGDXIE-SSDOTTSWSA-N 1 0 211.265 1.686 40 0 BDABRO CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]([NH3+])C1 ZINC000084237579 384852597 /nfs/dbraw/zinc/85/25/97/384852597.db2.gz FPIXELZFBGBCAO-VIFPVBQESA-N 1 0 228.336 1.981 40 0 BDABRO [NH3+][C@@H]1CCCn2c1nnc2C(F)(F)F ZINC000084383252 384861953 /nfs/dbraw/zinc/86/19/53/384861953.db2.gz QNMRNIYWGJIYDX-SCSAIBSYSA-N 1 0 206.171 1.091 40 0 BDABRO c1cnc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC000027751698 384910276 /nfs/dbraw/zinc/91/02/76/384910276.db2.gz VJKGFMGCWPESKG-UHFFFAOYSA-N 1 0 202.261 1.425 40 0 BDABRO c1cncc(OC[C@@H]2CC[C@H]3[NH2+]CC[C@H]3O2)c1 ZINC000107488054 384971629 /nfs/dbraw/zinc/97/16/29/384971629.db2.gz ZQZHMPUZJIJMCV-YNEHKIRRSA-N 1 0 234.299 1.370 40 0 BDABRO CCOC(=O)[C@@H](CN)[C@@](C)(CC)[NH+](CC)CC ZINC000072210433 385067262 /nfs/dbraw/zinc/06/72/62/385067262.db2.gz IXTGTFBYFGOFFI-DGCLKSJQSA-N 1 0 244.379 1.635 40 0 BDABRO CC(=O)N1CCCC[C@@H]1c1cccnc1N ZINC000072212450 385075484 /nfs/dbraw/zinc/07/54/84/385075484.db2.gz PIORCWGHRNBLTK-LLVKDONJSA-N 1 0 219.288 1.737 40 0 BDABRO Nc1ncccc1[C@H]1CCCCN1C=O ZINC000072212449 385077069 /nfs/dbraw/zinc/07/70/69/385077069.db2.gz NGBLJXUHXDLBSC-SNVBAGLBSA-N 1 0 205.261 1.347 40 0 BDABRO CC[C@H](O)c1cnc(N2CC[NH+](C)CC2)c(C)c1 ZINC000072222561 385110775 /nfs/dbraw/zinc/11/07/75/385110775.db2.gz FGCOYFMHBPSDJF-ZDUSSCGKSA-N 1 0 249.358 1.585 40 0 BDABRO CC[NH+]1CCN(c2ncc(CCO)cc2C)CC1 ZINC000072222600 385112681 /nfs/dbraw/zinc/11/26/81/385112681.db2.gz XIWHICJOIXNKBP-UHFFFAOYSA-N 1 0 249.358 1.067 40 0 BDABRO CC[C@@H](O)c1cnc(N2CC[NH+](C)CC2)cc1C ZINC000072223604 385116223 /nfs/dbraw/zinc/11/62/23/385116223.db2.gz WBSBONZZHDPEEQ-CYBMUJFWSA-N 1 0 249.358 1.585 40 0 BDABRO Cc1nc(N2CC[NH+](C)CC2)ccc1[C@@H](C)O ZINC000072224646 385119663 /nfs/dbraw/zinc/11/96/63/385119663.db2.gz GZKPTESVGFGWDM-LLVKDONJSA-N 1 0 235.331 1.195 40 0 BDABRO C[NH2+]Cc1ccc(I)nc1 ZINC000072225941 385124691 /nfs/dbraw/zinc/12/46/91/385124691.db2.gz NFJYISAVYYJWKS-UHFFFAOYSA-N 1 0 248.067 1.406 40 0 BDABRO CN(C)COC(=S)SC[NH+](C)C ZINC000031623525 385091719 /nfs/dbraw/zinc/09/17/19/385091719.db2.gz PCROCJPPQDGYMQ-UHFFFAOYSA-N 1 0 208.352 1.059 40 0 BDABRO c1cc(N2CCOCC2)ncc1[C@@H]1CCC[NH2+]1 ZINC000072216144 385093548 /nfs/dbraw/zinc/09/35/48/385093548.db2.gz UCWBXAUARBPGBQ-LBPRGKRZSA-N 1 0 233.315 1.343 40 0 BDABRO CC(C)c1ccc(COC[C@@H](O)C[NH3+])cc1 ZINC000095096244 385202024 /nfs/dbraw/zinc/20/20/24/385202024.db2.gz BSPGDNBUAGPCEN-ZDUSSCGKSA-N 1 0 223.316 1.646 40 0 BDABRO CCCn1cc([C@@H](O)C2(C[NH3+])CCC2)cn1 ZINC000085395976 385161293 /nfs/dbraw/zinc/16/12/93/385161293.db2.gz TZWBMYLRYRXZDN-LLVKDONJSA-N 1 0 223.320 1.456 40 0 BDABRO COc1ccc(CC(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000062623164 385177625 /nfs/dbraw/zinc/17/76/25/385177625.db2.gz WLYWWDJDCIJLST-NSHDSACASA-N 1 0 248.326 1.058 40 0 BDABRO CC(C)(C)OC(=O)[C@H](N)CCCCC[NH3+] ZINC000064219636 385246833 /nfs/dbraw/zinc/24/68/33/385246833.db2.gz XREMTGLZTIREIM-SECBINFHSA-N 1 0 216.325 1.175 40 0 BDABRO CC(C)n1cccc([C@@H]2CCC[NH2+]2)c1=O ZINC000096510368 385248576 /nfs/dbraw/zinc/24/85/76/385248576.db2.gz LHVOHPUJWYQEOP-NSHDSACASA-N 1 0 206.289 1.854 40 0 BDABRO Fc1ccc(C2=NOC3(CC[NH2+]CC3)N2)cc1 ZINC000096517306 385254935 /nfs/dbraw/zinc/25/49/35/385254935.db2.gz SKJWBQIEGAYLQR-UHFFFAOYSA-N 1 0 235.262 1.187 40 0 BDABRO [NH3+][C@@H]1CCN(c2nc(C3CC3)nc3c2CCC3)C1 ZINC000096516996 385254941 /nfs/dbraw/zinc/25/49/41/385254941.db2.gz WJDKWFHWSHQORR-SNVBAGLBSA-N 1 0 244.342 1.380 40 0 BDABRO [NH3+][C@@H]1CCN(c2nccn3nc(C4CC4)cc23)C1 ZINC000096516396 385258587 /nfs/dbraw/zinc/25/85/87/385258587.db2.gz TXIVNLLSARLXEE-SNVBAGLBSA-N 1 0 243.314 1.144 40 0 BDABRO CCN1c2ccc(F)cc2C(=O)N[C@]12CC[NH2+]C2 ZINC000096516627 385262012 /nfs/dbraw/zinc/26/20/12/385262012.db2.gz PSTIEIMGKQTHBU-CYBMUJFWSA-N 1 0 249.289 1.085 40 0 BDABRO Cc1n[nH]c(C)c1CCCN1CCC[C@H]([NH3+])C1 ZINC000096523539 385267237 /nfs/dbraw/zinc/26/72/37/385267237.db2.gz HBAVAFDSHYELPT-LBPRGKRZSA-N 1 0 236.363 1.382 40 0 BDABRO CN(C)c1cccc(CN2CCC[C@H]([NH3+])C2)c1 ZINC000096523547 385268200 /nfs/dbraw/zinc/26/82/00/385268200.db2.gz OGPVBHSXTKXYMV-ZDUSSCGKSA-N 1 0 233.359 1.676 40 0 BDABRO [NH3+][C@H]1CCN(Cc2cc(-c3cccs3)n[nH]2)C1 ZINC000096523473 385268777 /nfs/dbraw/zinc/26/87/77/385268777.db2.gz YFWWSJSUBCLCDN-VIFPVBQESA-N 1 0 248.355 1.671 40 0 BDABRO Cc1ccc(N2CC[C@@H](OCCC[NH3+])C2)cc1 ZINC000096528372 385274173 /nfs/dbraw/zinc/27/41/73/385274173.db2.gz IZPMRJZZJGRWTG-CQSZACIVSA-N 1 0 234.343 1.939 40 0 BDABRO CCS(=O)(=O)C[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000096524750 385274707 /nfs/dbraw/zinc/27/47/07/385274707.db2.gz NREUSOPWVMUFSO-SNVBAGLBSA-N 1 0 247.747 1.775 40 0 BDABRO CC[C@H]([C@@H]([NH3+])c1cccc(C)c1)S(C)(=O)=O ZINC000096524910 385277925 /nfs/dbraw/zinc/27/79/25/385277925.db2.gz BSYYRMRFPLMYFN-NEPJUHHUSA-N 1 0 241.356 1.818 40 0 BDABRO [NH3+]C[C@@H](O)c1ccc(Br)o1 ZINC000021949731 385333684 /nfs/dbraw/zinc/33/36/84/385333684.db2.gz GWZTUNVYBXSBRV-SCSAIBSYSA-N 1 0 206.039 1.034 40 0 BDABRO O=c1c2c(cnn1C1CCCC1)C[NH2+]CC2 ZINC000095098012 385483164 /nfs/dbraw/zinc/48/31/64/385483164.db2.gz XVLSGADCZQVRCE-UHFFFAOYSA-N 1 0 219.288 1.004 40 0 BDABRO Cc1noc([C@H]2C[NH2+]C[C@@H]2c2ccccn2)n1 ZINC000328579439 385487430 /nfs/dbraw/zinc/48/74/30/385487430.db2.gz IPRQZQBGJKNSAC-UWVGGRQHSA-N 1 0 230.271 1.244 40 0 BDABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccccc1Cl ZINC000062713496 385698232 /nfs/dbraw/zinc/69/82/32/385698232.db2.gz HBXDEOLXDVKMAL-MWLCHTKSSA-N 1 0 211.692 1.765 40 0 BDABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257238757 385755623 /nfs/dbraw/zinc/75/56/23/385755623.db2.gz HMKFLVXJMBSEHP-SNVBAGLBSA-N 1 0 231.303 1.431 40 0 BDABRO Cn1cccc1C[N@@H+]1CC[C@@H](c2cc[nH]n2)C1 ZINC000257305977 385761186 /nfs/dbraw/zinc/76/11/86/385761186.db2.gz SSIFOJVDHHCWRA-LLVKDONJSA-N 1 0 230.315 1.738 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]([NH3+])C2 ZINC000216078544 385858193 /nfs/dbraw/zinc/85/81/93/385858193.db2.gz WDLJVXLPYIOWOZ-HRDYMLBCSA-N 1 0 212.293 1.343 40 0 BDABRO Fc1ccc2c(c1)[C@@]1(CC2)COCC[NH2+]1 ZINC000306145325 385993027 /nfs/dbraw/zinc/99/30/27/385993027.db2.gz BMQLBCINTLXXFV-GFCCVEGCSA-N 1 0 207.248 1.587 40 0 BDABRO COC(=O)c1ccc2c(c1)OCC[C@]21CC[NH2+]1 ZINC000306145511 385994604 /nfs/dbraw/zinc/99/46/04/385994604.db2.gz HGIMZXDCWJMDFL-CYBMUJFWSA-N 1 0 233.267 1.444 40 0 BDABRO c1ccc([C@H]2C[N@@H+]3CCC[C@H]3CN2)cc1 ZINC000039957299 386157931 /nfs/dbraw/zinc/15/79/31/386157931.db2.gz VVTXUMOBQPCULI-QWHCGFSZSA-N 1 0 202.301 1.795 40 0 BDABRO C[NH2+][C@@H](CO)c1c(F)cccc1Cl ZINC000038121307 386125286 /nfs/dbraw/zinc/12/52/86/386125286.db2.gz SZYYDIFLVQCFAJ-QMMMGPOBSA-N 1 0 203.644 1.732 40 0 BDABRO Cc1ccc(CCC(=O)NCC[NH+](C)C)cc1C ZINC000225701400 386212940 /nfs/dbraw/zinc/21/29/40/386212940.db2.gz PTTLKZCOMYMVRL-UHFFFAOYSA-N 1 0 248.370 1.914 40 0 BDABRO Cc1c(C[NH3+])nnn1-c1cccnc1Cl ZINC000328579762 386528071 /nfs/dbraw/zinc/52/80/71/386528071.db2.gz ZXLOZFMZEXXWKF-UHFFFAOYSA-N 1 0 223.667 1.083 40 0 BDABRO c1cncc(COC[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c1 ZINC000247846112 386734910 /nfs/dbraw/zinc/73/49/10/386734910.db2.gz MSMJEAVQQBLCMH-IHRRRGAJSA-N 1 0 248.326 1.365 40 0 BDABRO CC(C)(C)OC(=O)[C@@H](N)C[C@@H]1CCC[NH2+]C1 ZINC000088247616 386947590 /nfs/dbraw/zinc/94/75/90/386947590.db2.gz HXRMBJYKFKADGB-UWVGGRQHSA-N 1 0 228.336 1.045 40 0 BDABRO [NH3+][C@@H]1C[C@H](C(F)(F)F)CC2(C1)OCCO2 ZINC000575424073 387040447 /nfs/dbraw/zinc/04/04/47/387040447.db2.gz VFESXCIJMWIFST-NKWVEPMBSA-N 1 0 225.210 1.419 40 0 BDABRO O=C1N(c2ccsc2)CC[C@@]12CCC[NH2+]C2 ZINC000096224583 387019979 /nfs/dbraw/zinc/01/99/79/387019979.db2.gz FFLBIZRFJFAWPS-GFCCVEGCSA-N 1 0 236.340 1.855 40 0 BDABRO O=C(c1cccc(F)c1)N1CC[C@@H]2C[NH2+]CC[C@H]21 ZINC000096249213 387026318 /nfs/dbraw/zinc/02/63/18/387026318.db2.gz FTALEENNIGJITL-DGCLKSJQSA-N 1 0 248.301 1.650 40 0 BDABRO CCCC[C@H]1C[C@H](O)C[N@@H+]1CCOC ZINC000217881850 387202022 /nfs/dbraw/zinc/20/20/22/387202022.db2.gz BXTVTPFYUDYCPX-QWRGUYRKSA-N 1 0 201.310 1.258 40 0 BDABRO O=C(C1CCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000084497134 387449367 /nfs/dbraw/zinc/44/93/67/387449367.db2.gz ADOAXTMRALWGPX-UHFFFAOYSA-N 1 0 222.332 1.389 40 0 BDABRO CC(C)n1cc(C[NH2+]CCCCO)cn1 ZINC000193254073 387850755 /nfs/dbraw/zinc/85/07/55/387850755.db2.gz UBOWBBUJTRGCIP-UHFFFAOYSA-N 1 0 211.309 1.326 40 0 BDABRO CCn1nccc1CNCCC[NH+](CC)CC ZINC000125070697 387852365 /nfs/dbraw/zinc/85/23/65/387852365.db2.gz VARLUBQGNLIGRU-UHFFFAOYSA-N 1 0 238.379 1.725 40 0 BDABRO CCCn1cc(C[NH2+]Cc2cnn(C)c2C)cn1 ZINC000156593077 387853104 /nfs/dbraw/zinc/85/31/04/387853104.db2.gz HCBNTXPQORMMHS-UHFFFAOYSA-N 1 0 247.346 1.625 40 0 BDABRO COC(=O)c1ccccc1CN1CCC([NH3+])CC1 ZINC000067801109 387854790 /nfs/dbraw/zinc/85/47/90/387854790.db2.gz UAVVOQNLEKXXSU-UHFFFAOYSA-N 1 0 248.326 1.396 40 0 BDABRO [NH3+]CCOc1ccccc1OCC(F)(F)F ZINC000082048441 387855693 /nfs/dbraw/zinc/85/56/93/387855693.db2.gz JPPUDOMDSLXWNA-UHFFFAOYSA-N 1 0 235.205 1.965 40 0 BDABRO CC(C)n1nccc1C[NH2+]CCCCO ZINC000256050303 387858730 /nfs/dbraw/zinc/85/87/30/387858730.db2.gz DOAPWHXSZUXBPV-UHFFFAOYSA-N 1 0 211.309 1.326 40 0 BDABRO CCCn1cc(C[NH2+]C[C@@H]2CCCO2)c(C)n1 ZINC000256052392 387860663 /nfs/dbraw/zinc/86/06/63/387860663.db2.gz NDIFJXAFOZPGQW-ZDUSSCGKSA-N 1 0 237.347 1.870 40 0 BDABRO CCCn1nc(C)cc1C[NH2+]CCOC ZINC000256052975 387861048 /nfs/dbraw/zinc/86/10/48/387861048.db2.gz PMGMPRPTOBOAIG-UHFFFAOYSA-N 1 0 211.309 1.338 40 0 BDABRO Cn1nccc1C[NH2+]Cc1ccc(F)s1 ZINC000256054080 387862436 /nfs/dbraw/zinc/86/24/36/387862436.db2.gz UWMKHGOAWCNXPX-UHFFFAOYSA-N 1 0 225.292 1.911 40 0 BDABRO CCc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000085282291 387891851 /nfs/dbraw/zinc/89/18/51/387891851.db2.gz RFKSRMYGPKPMDX-PHIMTYICSA-N 1 0 220.316 1.493 40 0 BDABRO COc1ccc([C@@H]2CN(C)C[C@@H]2[NH3+])cc1OC ZINC000216411777 388355134 /nfs/dbraw/zinc/35/51/34/388355134.db2.gz IKTSEWAJPWGXLC-QWRGUYRKSA-N 1 0 236.315 1.060 40 0 BDABRO Cc1ccc(NC[C@@H]2COCC[NH2+]2)cc1 ZINC000216592369 388357378 /nfs/dbraw/zinc/35/73/78/388357378.db2.gz QUCUHEYXYGWUMO-GFCCVEGCSA-N 1 0 206.289 1.395 40 0 BDABRO CCOCCO[C@H]1C[NH2+][C@@H](C(C)C)C1 ZINC000217862493 388382455 /nfs/dbraw/zinc/38/24/55/388382455.db2.gz YDWZNYYNSUAFFI-GHMZBOCLSA-N 1 0 201.310 1.426 40 0 BDABRO CC[NH+](CC)CCOc1cncc(N)c1 ZINC000122575328 388617964 /nfs/dbraw/zinc/61/79/64/388617964.db2.gz DRUZDXPTDDOTSI-UHFFFAOYSA-N 1 0 209.293 1.384 40 0 BDABRO COc1ccc([C@H](C[NH3+])OC)cc1OC ZINC000033505805 388611493 /nfs/dbraw/zinc/61/14/93/388611493.db2.gz CFEHWNSMGUKJEU-NSHDSACASA-N 1 0 211.261 1.350 40 0 BDABRO COC[C@@H]1C[NH2+]Cc2cn(CC3CCCC3)nc21 ZINC000107492387 388616825 /nfs/dbraw/zinc/61/68/25/388616825.db2.gz SJZVCVDONMXWEM-ZDUSSCGKSA-N 1 0 249.358 1.907 40 0 BDABRO C[N@@H+]1C[C@@H](CO)[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000225609312 388623094 /nfs/dbraw/zinc/62/30/94/388623094.db2.gz SWAUYCLOTDOUDN-WDEREUQCSA-N 1 0 235.283 1.053 40 0 BDABRO CCO[C@H](C[NH3+])c1cc(OC)ccc1OC ZINC000062711874 388655453 /nfs/dbraw/zinc/65/54/53/388655453.db2.gz OJQIMKNDQFHTSQ-GFCCVEGCSA-N 1 0 225.288 1.740 40 0 BDABRO [NH3+][C@@H]1CCCc2[nH]nc(C(F)(F)F)c21 ZINC000082825930 388731722 /nfs/dbraw/zinc/73/17/22/388731722.db2.gz FOXVBBIJILXKSI-SCSAIBSYSA-N 1 0 205.183 1.765 40 0 BDABRO Cc1nnc([C@H]([NH3+])c2ccc(C)cc2)[nH]1 ZINC000095534069 388777530 /nfs/dbraw/zinc/77/75/30/388777530.db2.gz ACBWLASJFWAAEI-SNVBAGLBSA-N 1 0 202.261 1.470 40 0 BDABRO Cn1cnc([C@H]([NH3+])Cc2ccccc2)n1 ZINC000095534940 388779089 /nfs/dbraw/zinc/77/90/89/388779089.db2.gz YZJXSOVAWZSKDY-SNVBAGLBSA-N 1 0 202.261 1.058 40 0 BDABRO COC(=O)c1cccc(N2CC[NH2+]C[C@H]2C)c1 ZINC000039952482 132347086 /nfs/dbraw/zinc/34/70/86/132347086.db2.gz PXFHTEAJPZCKCT-SNVBAGLBSA-N 1 0 234.299 1.271 40 0 BDABRO [NH3+][C@H]1CCCN(c2cc(Cl)ncn2)C1 ZINC000040434294 132347561 /nfs/dbraw/zinc/34/75/61/132347561.db2.gz YBYOBYHSDBXHEZ-ZETCQYMHSA-N 1 0 212.684 1.058 40 0 BDABRO C[NH+]1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000041669472 132350651 /nfs/dbraw/zinc/35/06/51/132350651.db2.gz MOFDRKQXTIFECB-UHFFFAOYSA-N 1 0 243.310 1.692 40 0 BDABRO O=C([C@H]1CCCCC[NH2+]1)N1CCCCCC1 ZINC000080993019 135385099 /nfs/dbraw/zinc/38/50/99/135385099.db2.gz DWHBSZHJLYDLAW-GFCCVEGCSA-N 1 0 224.348 1.921 40 0 BDABRO CCC(C)(C)[NH2+]Cc1cnc(NC)nc1 ZINC000062717488 398055117 /nfs/dbraw/zinc/05/51/17/398055117.db2.gz ZOJHDZTYWHTGSW-UHFFFAOYSA-N 1 0 208.309 1.797 40 0 BDABRO [NH3+]C[C@@H](c1ccc(F)c(F)c1)N1CCOCC1 ZINC000022219763 398124411 /nfs/dbraw/zinc/12/44/11/398124411.db2.gz UPWKFLIJBSTMSC-LBPRGKRZSA-N 1 0 242.269 1.297 40 0 BDABRO CC(C)[NH2+]CCOC(=O)c1ccccc1 ZINC000001716627 167106646 /nfs/dbraw/zinc/10/66/46/167106646.db2.gz YBJVBKAAUGYGLY-UHFFFAOYSA-N 1 0 207.273 1.841 40 0 BDABRO CC(C)OC[C@H](O)C[NH2+]Cc1ccccc1 ZINC000026897421 167270078 /nfs/dbraw/zinc/27/00/78/167270078.db2.gz QLYVFSDZZWKAMM-CYBMUJFWSA-N 1 0 223.316 1.562 40 0 BDABRO CCN1CCn2c(C)cnc2C12CC[NH2+]CC2 ZINC000306141111 170025085 /nfs/dbraw/zinc/02/50/85/170025085.db2.gz VLOLTZNAHOSUFI-UHFFFAOYSA-N 1 0 234.347 1.106 40 0 BDABRO CC[N@@H+]1CCc2nc(NC#N)nc(C)c2C1 ZINC000049474134 170025849 /nfs/dbraw/zinc/02/58/49/170025849.db2.gz WSSJPEJGBVIPEX-UHFFFAOYSA-N 1 0 217.276 1.056 40 0 BDABRO CCNC1(C(=O)OC(C)(C)C)CC[NH2+]CC1 ZINC000035270106 170108189 /nfs/dbraw/zinc/10/81/89/170108189.db2.gz ASWZUZNHLBJDGK-UHFFFAOYSA-N 1 0 228.336 1.060 40 0 BDABRO CCOC(=O)[C@]12CCC[C@@H]1[NH2+]CC=CC2 ZINC000019530245 170263566 /nfs/dbraw/zinc/26/35/66/170263566.db2.gz HZRXQOZZQMSECJ-CMPLNLGQSA-N 1 0 209.289 1.638 40 0 BDABRO CCOC(=O)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000001710340 170279169 /nfs/dbraw/zinc/27/91/69/170279169.db2.gz GQEDVMVEVIKYGN-KOLCDFICSA-N 1 0 207.273 1.681 40 0 BDABRO CCOCCC[NH2+]Cc1ccnn1C(F)F ZINC000256050152 170381759 /nfs/dbraw/zinc/38/17/59/170381759.db2.gz CYALCPUVYNNTEH-UHFFFAOYSA-N 1 0 233.262 1.794 40 0 BDABRO CCOCCC[NH2+]Cc1cn(C)nc1C ZINC000125910070 170381911 /nfs/dbraw/zinc/38/19/11/170381911.db2.gz MTDMEKKJNOKIEA-UHFFFAOYSA-N 1 0 211.309 1.245 40 0 BDABRO CCOCC[N@@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257253365 170397569 /nfs/dbraw/zinc/39/75/69/170397569.db2.gz JYPGHPLGFHOVRY-LBPRGKRZSA-N 1 0 237.347 1.701 40 0 BDABRO CCO[C@@H](C[NH2+]C)c1ccc(OC)cc1 ZINC000050481925 170478061 /nfs/dbraw/zinc/47/80/61/170478061.db2.gz KBLVIJKAFBDFFK-LBPRGKRZSA-N 1 0 209.289 1.992 40 0 BDABRO CC[C@H](C)[C@@H]([NH3+])CN(C)Cc1cn(C)nc1C ZINC000096523966 171372451 /nfs/dbraw/zinc/37/24/51/171372451.db2.gz CIECQBFSPNZESK-GWCFXTLKSA-N 1 0 238.379 1.534 40 0 BDABRO CCn1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)n1 ZINC000096511448 172200050 /nfs/dbraw/zinc/20/00/50/172200050.db2.gz WRWXWDRILQRNBJ-VIFPVBQESA-N 1 0 247.302 1.420 40 0 BDABRO CCn1ccc([C@H](O)C2(C[NH3+])CCC2)n1 ZINC000085396168 172201189 /nfs/dbraw/zinc/20/11/89/172201189.db2.gz HAFPIVSFRAJPQH-JTQLQIEISA-N 1 0 209.293 1.065 40 0 BDABRO CCn1nc(C)c(CN2CC[C@H]([NH3+])C2)c1C ZINC000307969362 172245341 /nfs/dbraw/zinc/24/53/41/172245341.db2.gz ZRVRWUJAECTTAW-NSHDSACASA-N 1 0 222.336 1.053 40 0 BDABRO CCn1nc(C)c(CN(C)C[C@@H](C)[NH3+])c1C ZINC000096523916 172245549 /nfs/dbraw/zinc/24/55/49/172245549.db2.gz ZIYBZYQXEVMPSZ-SECBINFHSA-N 1 0 224.352 1.299 40 0 BDABRO CN1c2c(cccc2F)C2(CC[NH+](C)CC2)C1=O ZINC000105050095 173002411 /nfs/dbraw/zinc/00/24/11/173002411.db2.gz AVXIHQDTIBNZBI-UHFFFAOYSA-N 1 0 248.301 1.766 40 0 BDABRO C[NH+]1CCC2(CCCN2C(=O)c2ccno2)CC1 ZINC000096075383 173003410 /nfs/dbraw/zinc/00/34/10/173003410.db2.gz RQWVBMZJASZTAW-UHFFFAOYSA-N 1 0 249.314 1.375 40 0 BDABRO C[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2)C1 ZINC000082305170 173039128 /nfs/dbraw/zinc/03/91/28/173039128.db2.gz XNRKFWDLNLERKB-ZDUSSCGKSA-N 1 0 232.327 1.645 40 0 BDABRO CN1CC[N@@H+](C2CCOCC2)Cc2cccnc21 ZINC000096069173 173077052 /nfs/dbraw/zinc/07/70/52/173077052.db2.gz UBOJUMRRYJTWSA-UHFFFAOYSA-N 1 0 247.342 1.512 40 0 BDABRO C[N@@H+]1CC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000049169574 173158061 /nfs/dbraw/zinc/15/80/61/173158061.db2.gz BAKJJKJYSBFEHX-JTQLQIEISA-N 1 0 230.271 1.551 40 0 biogenic,in-vitro BDABRO C[N@H+]1C[C@@H](c2ccccc2F)[C@H](CO)C1 ZINC000217672247 173183578 /nfs/dbraw/zinc/18/35/78/173183578.db2.gz XTRXJCILCOVILR-GXSJLCMTSA-N 1 0 209.264 1.463 40 0 BDABRO C[NH2+]C1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000072203683 173322937 /nfs/dbraw/zinc/32/29/37/173322937.db2.gz AGWFFYDDGUVXIY-UHFFFAOYSA-N 1 0 239.750 1.919 40 0 BDABRO C[NH2+]C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000061674880 173322981 /nfs/dbraw/zinc/32/29/81/173322981.db2.gz VANKRDGOJSDJJP-UHFFFAOYSA-N 1 0 248.326 1.599 40 0 BDABRO C[NH2+]CC(=O)Nc1ccc(Cl)cc1C ZINC000019479501 173334043 /nfs/dbraw/zinc/33/40/43/173334043.db2.gz NAJGSPVBKJEVCJ-UHFFFAOYSA-N 1 0 212.680 1.806 40 0 BDABRO C[NH2+]CCN(CCCOC)Cc1cccs1 ZINC000096523937 173354251 /nfs/dbraw/zinc/35/42/51/173354251.db2.gz CYKVPLJCPJVEOJ-UHFFFAOYSA-N 1 0 242.388 1.806 40 0 BDABRO C[NH2+][C@@H](C)Cc1ccc2c(c1)OCCO2 ZINC000011596827 173416199 /nfs/dbraw/zinc/41/61/99/173416199.db2.gz UJKWLAZYSLJTKA-VIFPVBQESA-N 1 0 207.273 1.608 40 0 in-vitro BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C ZINC000067173357 173822958 /nfs/dbraw/zinc/82/29/58/173822958.db2.gz DXKKIJWBEMULEW-NEPJUHHUSA-N 1 0 219.284 1.471 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000008699265 173823012 /nfs/dbraw/zinc/82/30/12/173823012.db2.gz ZACOZGRAXFFGLR-MNOVXSKESA-N 1 0 239.702 1.816 40 0 BDABRO COCCCN(CC[NH3+])Cc1cccs1 ZINC000096523719 174222146 /nfs/dbraw/zinc/22/21/46/174222146.db2.gz HDHAOUXJDGZMRL-UHFFFAOYSA-N 1 0 228.361 1.545 40 0 BDABRO COCCCn1cccc1C[NH2+]CCOC ZINC000085584221 174266607 /nfs/dbraw/zinc/26/66/07/174266607.db2.gz NJEJJHAVAWQHNO-UHFFFAOYSA-N 1 0 226.320 1.261 40 0 BDABRO COCC[NH+]1CCN(Cc2cccc(C)n2)CC1 ZINC000072397780 174310401 /nfs/dbraw/zinc/31/04/01/174310401.db2.gz HTQJEPUFHMTSSF-UHFFFAOYSA-N 1 0 249.358 1.154 40 0 BDABRO COCCOc1cc(C)cc(C)c1C[NH3+] ZINC000096526194 174367974 /nfs/dbraw/zinc/36/79/74/174367974.db2.gz XCYNHBZXURQZMB-UHFFFAOYSA-N 1 0 209.289 1.787 40 0 BDABRO COCCn1cc(C[NH3+])c2ccccc21 ZINC000009280171 174429164 /nfs/dbraw/zinc/42/91/64/174429164.db2.gz ZXLIFBORVYKDHN-UHFFFAOYSA-N 1 0 204.273 1.746 40 0 BDABRO COc1cc(OC)c([C@@H]2C[C@H]2[NH3+])c(OC)c1 ZINC000037381190 175007880 /nfs/dbraw/zinc/00/78/80/175007880.db2.gz PSZZKLQZWAAUIU-RKDXNWHRSA-N 1 0 223.272 1.527 40 0 BDABRO COc1cc(OC)cc([C@H](O)CC[NH3+])c1 ZINC000041225474 175011064 /nfs/dbraw/zinc/01/10/64/175011064.db2.gz JSTIMMJXDYQGQZ-LLVKDONJSA-N 1 0 211.261 1.086 40 0 BDABRO COc1cc([C@H](O)C[NH2+]C(C)(C)C)ccc1O ZINC000077302682 175017159 /nfs/dbraw/zinc/01/71/59/175017159.db2.gz WVGNWNYBARIPKQ-LLVKDONJSA-N 1 0 239.315 1.822 40 0 in-vitro BDABRO COc1cc2oc(=O)cc(C[NH3+])c2cc1OC ZINC000002583514 175028842 /nfs/dbraw/zinc/02/88/42/175028842.db2.gz AXXVGQYUBHDGBK-UHFFFAOYSA-N 1 0 235.239 1.269 40 0 in-vitro BDABRO COc1ccc(-c2cc(C)n(C)[n+]2C)cc1 ZINC000001852037 175030908 /nfs/dbraw/zinc/03/09/08/175030908.db2.gz WCMZGMACMALMRP-UHFFFAOYSA-N 1 0 217.292 1.834 40 0 BDABRO COc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000054370290 175057209 /nfs/dbraw/zinc/05/72/09/175057209.db2.gz DWEBWKFKBHWWQM-JTQLQIEISA-N 1 0 234.299 1.129 40 0 BDABRO COc1ccc(CCCN2CCC[NH2+]CC2)cc1 ZINC000041301838 175089321 /nfs/dbraw/zinc/08/93/21/175089321.db2.gz UXNPQFBHHVEGNE-UHFFFAOYSA-N 1 0 248.370 1.923 40 0 BDABRO COc1ccc(NC[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000096509429 175151517 /nfs/dbraw/zinc/15/15/17/175151517.db2.gz AYYUYSZJLIVLND-ZJUUUORDSA-N 1 0 206.289 1.702 40 0 BDABRO COc1ccc(NC[C@H]2C[C@@H]2CO)cc1 ZINC000096509350 175151640 /nfs/dbraw/zinc/15/16/40/175151640.db2.gz YLWJAEIPDTYFCG-NXEZZACHSA-N 1 0 207.273 1.736 40 0 BDABRO COc1ccc([C@H]2C[C@@H]2C[NH3+])c(OC)c1 ZINC000041215842 175197849 /nfs/dbraw/zinc/19/78/49/175197849.db2.gz RPNVHDCLEYPKNI-KCJUWKMLSA-N 1 0 207.273 1.766 40 0 BDABRO COc1ccc2c(c1)[C@@]1(C[C@H]1[NH3+])CCO2 ZINC000218687208 175217136 /nfs/dbraw/zinc/21/71/36/175217136.db2.gz QPSANWIUZNLNLW-NEPJUHHUSA-N 1 0 205.257 1.447 40 0 BDABRO COc1cccc(-c2nc(CC[NH3+])no2)c1 ZINC000019682117 175236659 /nfs/dbraw/zinc/23/66/59/175236659.db2.gz NVZYKHIWSLDJPR-UHFFFAOYSA-N 1 0 219.244 1.246 40 0 BDABRO COc1cccc(C(=O)C2CC[NH2+]CC2)c1OC ZINC000022012264 175242106 /nfs/dbraw/zinc/24/21/06/175242106.db2.gz GSMJQUNLZPMNPH-UHFFFAOYSA-N 1 0 249.310 1.886 40 0 BDABRO COc1cccc(CN(C(=O)C[NH3+])C2CC2)c1 ZINC000032089741 175253524 /nfs/dbraw/zinc/25/35/24/175253524.db2.gz ZAGDFVOTTMHUNN-UHFFFAOYSA-N 1 0 234.299 1.145 40 0 BDABRO COc1cccc(C[N@H+](CCO)C2CC2)c1 ZINC000048065104 175256767 /nfs/dbraw/zinc/25/67/67/175256767.db2.gz VXVMVSNKXCWBEO-UHFFFAOYSA-N 1 0 221.300 1.652 40 0 BDABRO COc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000038538848 175259967 /nfs/dbraw/zinc/25/99/67/175259967.db2.gz LPYMTQJBJKJOAF-LLVKDONJSA-N 1 0 207.273 1.262 40 0 BDABRO COc1cccc([C@H]2C[C@]2(C[NH3+])CO)c1 ZINC000062713386 175296679 /nfs/dbraw/zinc/29/66/79/175296679.db2.gz FUPQJSRJAKHGSY-NEPJUHHUSA-N 1 0 207.273 1.120 40 0 BDABRO COc1cccc2c(CC[NH3+])c(C)[nH]c21 ZINC000005697098 175298775 /nfs/dbraw/zinc/29/87/75/175298775.db2.gz UCYAYLLQTZJWSU-UHFFFAOYSA-N 1 0 204.273 1.986 40 0 BDABRO COc1ccccc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000062617037 175317647 /nfs/dbraw/zinc/31/76/47/175317647.db2.gz DSZCACCCYSPTJI-SNVBAGLBSA-N 1 0 234.299 1.129 40 0 BDABRO COc1ccccc1N[C@H]1CCC[C@H]1[NH3+] ZINC000218875996 175339199 /nfs/dbraw/zinc/33/91/99/175339199.db2.gz UKTIJZJXZYPQDB-ZJUUUORDSA-N 1 0 206.289 1.987 40 0 BDABRO CS(=O)(=O)C[C@H](C[NH3+])C1CCCCC1 ZINC000217762285 175425498 /nfs/dbraw/zinc/42/54/98/175425498.db2.gz LUOXJPWHAUBOAN-JTQLQIEISA-N 1 0 219.350 1.186 40 0 BDABRO C[C@@H](C[NH3+])Oc1cccc(C(F)(F)F)n1 ZINC000217583912 175711696 /nfs/dbraw/zinc/71/16/96/175711696.db2.gz BDWACPHQEMCMSE-LURJTMIESA-N 1 0 220.194 1.826 40 0 BDABRO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000079438556 175887649 /nfs/dbraw/zinc/88/76/49/175887649.db2.gz JXDZSPWVLSANIJ-NEPJUHHUSA-N 1 0 219.332 1.874 40 0 BDABRO C[C@@H]([C@H]([NH3+])c1cccc(F)c1)S(C)(=O)=O ZINC000096524787 176012215 /nfs/dbraw/zinc/01/22/15/176012215.db2.gz JBWUTPYLRAAHBX-XVKPBYJWSA-N 1 0 231.292 1.259 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(F)c(F)c1 ZINC000054369876 176327162 /nfs/dbraw/zinc/32/71/62/176327162.db2.gz HHOREGRWBIKMBN-MRVPVSSYSA-N 1 0 240.253 1.399 40 0 BDABRO C[C@H]1CCCC[N@@H+]1Cc1cc(N)n(C)n1 ZINC000058083859 177076569 /nfs/dbraw/zinc/07/65/69/177076569.db2.gz FAUBRMXALMACSJ-VIFPVBQESA-N 1 0 208.309 1.377 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(F)c1 ZINC000054370377 177283966 /nfs/dbraw/zinc/28/39/66/177283966.db2.gz UKGMMXAUFFYOBO-VIFPVBQESA-N 1 0 222.263 1.260 40 0 BDABRO C[C@H]1C[NH2+]C[C@H](C)N1Cc1ccccc1 ZINC000019364816 177286358 /nfs/dbraw/zinc/28/63/58/177286358.db2.gz BNPHYNQCHNBJEL-RYUDHWBXSA-N 1 0 204.317 1.869 40 0 BDABRO CCCOc1ccc(CNCC[NH3+])cc1 ZINC000037712630 323107875 /nfs/dbraw/zinc/10/78/75/323107875.db2.gz WFYMNJISAPTCER-UHFFFAOYSA-N 1 0 208.305 1.524 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)s1 ZINC000206285608 488075438 /nfs/dbraw/zinc/07/54/38/488075438.db2.gz PURARSDHSLTWJZ-RNFRBKRXSA-N 1 0 245.731 1.878 40 0 BDABRO [NH3+]C[C@@H](O)CNc1ccccc1Cl ZINC000005898690 490044919 /nfs/dbraw/zinc/04/49/19/490044919.db2.gz ATVFUOPSKDWUKW-SSDOTTSWSA-N 1 0 200.669 1.072 40 0 BDABRO COc1ccc(CN2CCC([NH3+])CC2)cc1C ZINC000038539696 490186591 /nfs/dbraw/zinc/18/65/91/490186591.db2.gz WKSLXYCTQDBDDR-UHFFFAOYSA-N 1 0 234.343 1.927 40 0 BDABRO Cc1ncccc1[C@@H](C)O[C@@H]1CC[NH2+]C1 ZINC000252500992 490274996 /nfs/dbraw/zinc/27/49/96/490274996.db2.gz UBBMGHNCAVFMTI-GHMZBOCLSA-N 1 0 206.289 1.830 40 0 BDABRO CC(C)[N@H+](CCO)[C@H]1CCCC[C@H]1N(C)C ZINC000248022619 519649495 /nfs/dbraw/zinc/64/94/95/519649495.db2.gz FUGWAFHEEDYZQR-OLZOCXBDSA-N 1 0 228.380 1.562 40 0 BDABRO CCOc1ccc(CC(=[NH2+])NO)cc1OC ZINC000228914462 520932443 /nfs/dbraw/zinc/93/24/43/520932443.db2.gz QEBGPKDLIALKED-UHFFFAOYSA-N 1 0 224.260 1.592 40 0 BDABRO C[NH2+][C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000053204734 536365823 /nfs/dbraw/zinc/36/58/23/536365823.db2.gz UQSVZPCXVCUPEF-MRVPVSSYSA-N 1 0 226.711 1.318 40 0 BDABRO CC[N@@H+]1CCC[C@@H](c2cc(CCO)n[nH]2)C1 ZINC000072383162 343980103 /nfs/dbraw/zinc/98/01/03/343980103.db2.gz HCVRAZGEMKDLIT-SNVBAGLBSA-N 1 0 223.320 1.144 40 0 BDABRO CC[NH+]1CCC(c2cncc(N(C)C)n2)CC1 ZINC000072361097 343980124 /nfs/dbraw/zinc/98/01/24/343980124.db2.gz GIZHCYXNALKEMF-UHFFFAOYSA-N 1 0 234.347 1.742 40 0 BDABRO CC(C)(C)[NH2+]C[C@@H](O)c1ccc(N)cc1 ZINC000075616850 398223898 /nfs/dbraw/zinc/22/38/98/398223898.db2.gz MCNGLIDDDBAGNA-LLVKDONJSA-N 1 0 208.305 1.690 40 0 BDABRO CCc1c(C[NH3+])nnn1Cc1ccccc1 ZINC000062283335 398248889 /nfs/dbraw/zinc/24/88/89/398248889.db2.gz OXLAUCHPPXXLGR-UHFFFAOYSA-N 1 0 216.288 1.348 40 0 BDABRO COc1ccc2c(c1)C[C@@H](CC[NH3+])C(=O)N2C ZINC000064874359 259313125 /nfs/dbraw/zinc/31/31/25/259313125.db2.gz FRCZDAXAIWJVSA-SECBINFHSA-N 1 0 234.299 1.179 40 0 BDABRO OC[C@H](c1cccc(F)c1)[NH+]1CCCC1 ZINC000070453018 259313581 /nfs/dbraw/zinc/31/35/81/259313581.db2.gz JDUPQEBKXOXKTP-GFCCVEGCSA-N 1 0 209.264 1.955 40 0 BDABRO NNc1[nH+]cnc2c1ncn2Cc1ccccc1 ZINC000001668689 342707743 /nfs/dbraw/zinc/70/77/43/342707743.db2.gz BLOBZJKTOPTSGP-UHFFFAOYSA-N 1 0 240.270 1.160 40 0 BDABRO CCN(CC)C(=O)OCC[N@H+](C)CC ZINC000001671853 342707989 /nfs/dbraw/zinc/70/79/89/342707989.db2.gz DIRVOHPJPKNDFD-UHFFFAOYSA-N 1 0 202.298 1.417 40 0 BDABRO CC[NH+](CC)C[C@@H](O)CNCc1ccccc1 ZINC000002042476 342715187 /nfs/dbraw/zinc/71/51/87/342715187.db2.gz QLBMXOZPLHPOAQ-AWEZNQCLSA-N 1 0 236.359 1.479 40 0 BDABRO Cc1nc(I)ccc1C[NH3+] ZINC000072219673 259318639 /nfs/dbraw/zinc/31/86/39/259318639.db2.gz RUAZTAOUJUOGGF-UHFFFAOYSA-N 1 0 248.067 1.453 40 0 BDABRO COC[C@@H](OC)c1ccc([C@@H](O)C[NH3+])cc1 ZINC000072220059 259318781 /nfs/dbraw/zinc/31/87/81/259318781.db2.gz URBDUTOIOCDRNK-NWDGAFQWSA-N 1 0 225.288 1.013 40 0 BDABRO CC[NH+](CC)C[C@@H](O)Cc1ccc(OC)cc1 ZINC000006382454 342777365 /nfs/dbraw/zinc/77/73/65/342777365.db2.gz FVVQKJUABXKHIN-ZDUSSCGKSA-N 1 0 237.343 1.940 40 0 BDABRO CC[NH+]1CCN(c2ncc(CO)cc2C)CC1 ZINC000072222578 259320890 /nfs/dbraw/zinc/32/08/90/259320890.db2.gz WTYFISVZJBTAJI-UHFFFAOYSA-N 1 0 235.331 1.024 40 0 BDABRO CCS(=O)(=O)[C@H]1[C@H](c2ccc(C)cc2)[C@@H]1[NH3+] ZINC000242648779 259326125 /nfs/dbraw/zinc/32/61/25/259326125.db2.gz RHJJQEUGCMQWRN-WOPDTQHZSA-N 1 0 239.340 1.223 40 0 BDABRO Clc1csc(CN2CC[NH2+]CC2)c1 ZINC000062709825 398302333 /nfs/dbraw/zinc/30/23/33/398302333.db2.gz OKAOMSLMAFNGTG-UHFFFAOYSA-N 1 0 216.737 1.807 40 0 BDABRO CCS(=O)(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000075417128 398302760 /nfs/dbraw/zinc/30/27/60/398302760.db2.gz OSBADAHHHOUHJG-SNVBAGLBSA-N 1 0 247.747 1.775 40 0 BDABRO C[C@@H](O)C[NH2+]Cc1ccc(Cl)s1 ZINC000035116702 342883961 /nfs/dbraw/zinc/88/39/61/342883961.db2.gz RPHDTJJEJMSENJ-ZCFIWIBFSA-N 1 0 205.710 1.872 40 0 BDABRO C[NH+](C)[C@@H]1CN(Cc2ccoc2)[C@@H]2COC[C@@H]21 ZINC000096064186 398312625 /nfs/dbraw/zinc/31/26/25/398312625.db2.gz MDVHZXGFYQHONS-JHJVBQTASA-N 1 0 236.315 1.040 40 0 BDABRO CCOc1ccccc1[C@@H]1C[C@]1(C[NH3+])CO ZINC000062713355 259329611 /nfs/dbraw/zinc/32/96/11/259329611.db2.gz FOHHAUWFXFOJIL-AAEUAGOBSA-N 1 0 221.300 1.510 40 0 BDABRO Cc1ccc2c(c1)C[NH2+][C@H](CN(C)C)CO2 ZINC000019219561 342944218 /nfs/dbraw/zinc/94/42/18/342944218.db2.gz HRFOGLRNCLGEPG-GFCCVEGCSA-N 1 0 220.316 1.407 40 0 BDABRO c1csc(-c2nnn(C[C@@H]3CCC[NH2+]3)n2)c1 ZINC000019344962 342945925 /nfs/dbraw/zinc/94/59/25/342945925.db2.gz WMKXPXRKDCKHOC-QMMMGPOBSA-N 1 0 235.316 1.154 40 0 BDABRO COC(=O)[C@@H](C(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000022123328 343040376 /nfs/dbraw/zinc/04/03/76/343040376.db2.gz RJCDTPYRVVDLGC-GHMZBOCLSA-N 1 0 213.321 1.916 40 0 BDABRO CCCc1cc(CN2CCC([NH3+])CC2)on1 ZINC000012398766 343094825 /nfs/dbraw/zinc/09/48/25/343094825.db2.gz PHWRRAPTOKXAGP-UHFFFAOYSA-N 1 0 223.320 1.550 40 0 BDABRO C[C@H]([NH3+])C(=O)N(C)Cc1c(F)cccc1Cl ZINC000037498119 343310367 /nfs/dbraw/zinc/31/03/67/343310367.db2.gz DMAXMOOBGZOTEW-ZETCQYMHSA-N 1 0 244.697 1.785 40 0 BDABRO C[C@H]([NH3+])C(=O)N(C)Cc1cccc(Cl)c1 ZINC000037799098 343312262 /nfs/dbraw/zinc/31/22/62/343312262.db2.gz WIMXZBQTFWKZLJ-QMMMGPOBSA-N 1 0 226.707 1.646 40 0 BDABRO C[C@H]([NH3+])C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000037801796 343313128 /nfs/dbraw/zinc/31/31/28/343313128.db2.gz MYBIUMWJAKIZFP-VIFPVBQESA-N 1 0 236.290 1.664 40 0 BDABRO COC(CNC1=[NH+]CCCCC1)OC ZINC000040163974 343397943 /nfs/dbraw/zinc/39/79/43/343397943.db2.gz QYTXULSNRXNPLM-UHFFFAOYSA-N 1 0 200.282 1.167 40 0 BDABRO CC[N@H+](Cc1ccccc1)[C@H]1CCN(CCO)C1 ZINC000079414172 343400658 /nfs/dbraw/zinc/40/06/58/343400658.db2.gz VGMOOKQYMFPMTM-HNNXBMFYSA-N 1 0 248.370 1.575 40 0 BDABRO CC(C)(C)OC(=O)[C@H](N)C[C@@H]1CCCC[NH2+]1 ZINC000040448424 343403422 /nfs/dbraw/zinc/40/34/22/343403422.db2.gz SBGGYLSKSFJIQO-VHSXEESVSA-N 1 0 228.336 1.188 40 0 BDABRO COC(=O)[C@H](C)C[NH2+]CCCOC(C)C ZINC000047219196 343559784 /nfs/dbraw/zinc/55/97/84/343559784.db2.gz GKSGEIDUNNZGAP-SNVBAGLBSA-N 1 0 217.309 1.200 40 0 BDABRO c1cc2c(ncnc2N2CCC[NH2+]CC2)s1 ZINC000004254207 343769838 /nfs/dbraw/zinc/76/98/38/343769838.db2.gz BYVSVRKWGWNXLL-UHFFFAOYSA-N 1 0 234.328 1.491 40 0 BDABRO CC[C@@H]([C@H]([NH3+])c1ccc(N)cc1)S(C)(=O)=O ZINC000096524871 343759022 /nfs/dbraw/zinc/75/90/22/343759022.db2.gz NIIKBCYRVRSINP-WDEREUQCSA-N 1 0 242.344 1.092 40 0 BDABRO CC[C@@H]([C@H]([NH3+])c1cccc(C)c1)S(C)(=O)=O ZINC000096524907 343759035 /nfs/dbraw/zinc/75/90/35/343759035.db2.gz BSYYRMRFPLMYFN-NWDGAFQWSA-N 1 0 241.356 1.818 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)o1 ZINC000229210068 343793760 /nfs/dbraw/zinc/79/37/60/343793760.db2.gz NURKQWMARMRHQE-IUCAKERBSA-N 1 0 209.245 1.064 40 0 BDABRO c1nn(C[C@@H]2CCCCO2)cc1C1CC[NH2+]CC1 ZINC000575623339 343875884 /nfs/dbraw/zinc/87/58/84/343875884.db2.gz KTKLHVWGYONYSE-AWEZNQCLSA-N 1 0 249.358 1.919 40 0 BDABRO CC1(C)CC(Cn2cc(CC[NH3+])cn2)C1 ZINC000575623471 343876352 /nfs/dbraw/zinc/87/63/52/343876352.db2.gz TULNQYFXNZXVHC-UHFFFAOYSA-N 1 0 207.321 1.821 40 0 BDABRO C[C@@H](CC[NH3+])n1nc(C(C)(C)C)ccc1=O ZINC000575622408 343869666 /nfs/dbraw/zinc/86/96/66/343869666.db2.gz LAILXYPFCMNRPM-VIFPVBQESA-N 1 0 223.320 1.451 40 0 BDABRO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1nccs1 ZINC000019487501 347020389 /nfs/dbraw/zinc/02/03/89/347020389.db2.gz VMIAFWZMECVHJN-JTQLQIEISA-N 1 0 247.323 1.652 40 0 BDABRO CCN(CC)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000019488213 347019664 /nfs/dbraw/zinc/01/96/64/347019664.db2.gz LQNULIWVTOWQOS-LBPRGKRZSA-N 1 0 220.316 1.945 40 0 BDABRO c1cncc(O[C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC000585104291 344133820 /nfs/dbraw/zinc/13/38/20/344133820.db2.gz GTQNJYLINMUVHF-JTQLQIEISA-N 1 0 222.313 1.308 40 0 BDABRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(F)c3)[C@H]2C1 ZINC000585107651 344135005 /nfs/dbraw/zinc/13/50/05/344135005.db2.gz FVJUDDRDRDTKJG-YPMHNXCESA-N 1 0 248.301 1.602 40 0 BDABRO Cn1cc(SCCCC[NH2+]CCCO)cn1 ZINC000256052947 344145578 /nfs/dbraw/zinc/14/55/78/344145578.db2.gz PHUIMTRZBKGUHO-UHFFFAOYSA-N 1 0 243.376 1.264 40 0 BDABRO C[NH2+]C[C@@H]1C[C@H]1c1ccc2c(c1)CCO2 ZINC000054588837 259374026 /nfs/dbraw/zinc/37/40/26/259374026.db2.gz NLTVUVKDKUBQBA-RYUDHWBXSA-N 1 0 203.285 1.944 40 0 BDABRO C[N@@H+]1CCC[C@@H](c2cncc(-c3ncco3)n2)C1 ZINC000585261114 344372891 /nfs/dbraw/zinc/37/28/91/344372891.db2.gz YWPCLZYYTURCQW-SNVBAGLBSA-N 1 0 244.298 1.941 40 0 BDABRO Cc1ccc(N(C)C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000067803699 178696667 /nfs/dbraw/zinc/69/66/67/178696667.db2.gz KIXLROUUDDGLKR-GFCCVEGCSA-N 1 0 218.300 1.710 40 0 BDABRO C[C@@H]([NH3+])[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C ZINC000216346169 345584710 /nfs/dbraw/zinc/58/47/10/345584710.db2.gz CABIRYRCSXLJTD-HLTSFMKQSA-N 1 0 232.299 1.681 40 0 BDABRO O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@@H]1CCCC[N@@H+]31 ZINC000003644791 346240570 /nfs/dbraw/zinc/24/05/70/346240570.db2.gz SWZMSZQQJRKFBP-MDZLAQPJSA-N 1 0 217.268 1.405 40 0 BDABRO Cc1cccc(C[N@@H+]2CC[C@H](O)C2)c1F ZINC000038538809 179082033 /nfs/dbraw/zinc/08/20/33/179082033.db2.gz SLDYGPSBLPFNEC-NSHDSACASA-N 1 0 209.264 1.701 40 0 BDABRO Cc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1F ZINC000038538812 179078674 /nfs/dbraw/zinc/07/86/74/179078674.db2.gz SLDYGPSBLPFNEC-LLVKDONJSA-N 1 0 209.264 1.701 40 0 BDABRO Cc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1C ZINC000038538737 179079281 /nfs/dbraw/zinc/07/92/81/179079281.db2.gz DOQXDHDTWQRJCI-CYBMUJFWSA-N 1 0 205.301 1.870 40 0 BDABRO Cc1cccc(CN2CC[C@@]23CCC[NH2+]C3)n1 ZINC000096239474 179082152 /nfs/dbraw/zinc/08/21/52/179082152.db2.gz SDEWBHMQHJQBFU-CQSZACIVSA-N 1 0 231.343 1.718 40 0 BDABRO Cc1cccc(CO[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)n1 ZINC000306122996 179103462 /nfs/dbraw/zinc/10/34/62/179103462.db2.gz ABWRIRXKQXZJLW-BFHYXJOUSA-N 1 0 248.326 1.426 40 0 BDABRO O=C(C[NH+]1CCCCCC1)N1CCCC1=O ZINC000004866533 346610051 /nfs/dbraw/zinc/61/00/51/346610051.db2.gz TVSBPUYEJSXIAA-UHFFFAOYSA-N 1 0 224.304 1.011 40 0 BDABRO Cc1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC000165302065 347402152 /nfs/dbraw/zinc/40/21/52/347402152.db2.gz KEHIDERZOCRCEX-UHFFFAOYSA-N 1 0 216.284 1.568 40 0 BDABRO Cc1ccccc1CNC[C@@H]1CCC[NH2+]1 ZINC000072203994 179280564 /nfs/dbraw/zinc/28/05/64/179280564.db2.gz OJDPFJQPNDUPRO-ZDUSSCGKSA-N 1 0 204.317 1.837 40 0 BDABRO Cc1ccccc1CN1CCC[C@@H]([NH3+])C1 ZINC000038539463 179273954 /nfs/dbraw/zinc/27/39/54/179273954.db2.gz YFPWTSAIXBZFCU-CYBMUJFWSA-N 1 0 204.317 1.918 40 0 BDABRO Cc1cccnc1C1(C[NH3+])CCOCC1 ZINC000083286383 179366293 /nfs/dbraw/zinc/36/62/93/179366293.db2.gz UTJGYZNZAPUHQY-UHFFFAOYSA-N 1 0 206.289 1.397 40 0 BDABRO CC[NH+](CC)CCSc1nnc(N)s1 ZINC000001760195 362924034 /nfs/dbraw/zinc/92/40/34/362924034.db2.gz ZKQZEQPKRBMFGB-UHFFFAOYSA-N 1 0 232.378 1.554 40 0 BDABRO CN(C)C(=O)c1cccc([C@@H]2CCC[N@@H+]2C)n1 ZINC000205697318 348576479 /nfs/dbraw/zinc/57/64/79/348576479.db2.gz WBKCULCXKRRTJW-LBPRGKRZSA-N 1 0 233.315 1.550 40 0 BDABRO Cc1cnc(OC2CC[NH2+]CC2)nc1Cl ZINC000095069344 179643432 /nfs/dbraw/zinc/64/34/32/179643432.db2.gz JFTZLIYOPHAGHA-UHFFFAOYSA-N 1 0 227.695 1.569 40 0 BDABRO Cc1ccc2[nH]c(CN3CC[NH2+][C@H](C)C3)nc2c1 ZINC000022122112 350083853 /nfs/dbraw/zinc/08/38/53/350083853.db2.gz PDGUESZIZZKQRT-LLVKDONJSA-N 1 0 244.342 1.665 40 0 BDABRO COC(=O)C(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022123087 350084098 /nfs/dbraw/zinc/08/40/98/350084098.db2.gz UBCNRDTZKHEWLX-NXEZZACHSA-N 1 0 213.321 1.916 40 0 BDABRO Cc1nc([C@@H]2CCC[N@H+](C)C2)cc(N(C)C)n1 ZINC000072359936 180041434 /nfs/dbraw/zinc/04/14/34/180041434.db2.gz XAEUGDBPJNTPAQ-LLVKDONJSA-N 1 0 234.347 1.660 40 0 BDABRO C(OC[C@@]12C[NH2+]C[C@@H]1COC2)C1CCCC1 ZINC000096108759 191055467 /nfs/dbraw/zinc/05/54/67/191055467.db2.gz VIVWKXQKLSYIKZ-CHWSQXEVSA-N 1 0 225.332 1.429 40 0 BDABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]12 ZINC000096251841 191056001 /nfs/dbraw/zinc/05/60/01/191056001.db2.gz WCQJCPQKOYWKJR-HUUCEWRRSA-N 1 0 244.338 1.539 40 0 BDABRO Cc1nccn1-c1cncc([C@@H]2CCC[NH2+]C2)n1 ZINC000072344150 180230039 /nfs/dbraw/zinc/23/00/39/180230039.db2.gz RBXMYSRTWDJWDD-LLVKDONJSA-N 1 0 243.314 1.438 40 0 BDABRO Cc1cc(N)c(N2CC[NH+](C)CC2)cc1C ZINC000226218632 350408861 /nfs/dbraw/zinc/40/88/61/350408861.db2.gz ATNRPPFHHGAIMK-UHFFFAOYSA-N 1 0 219.332 1.637 40 0 BDABRO COc1ccc([C@@H]2CC[C@H](CO)[NH2+]2)cc1 ZINC000213517869 363023009 /nfs/dbraw/zinc/02/30/09/363023009.db2.gz MMWBYNKOFUNQKW-PWSUYJOCSA-N 1 0 207.273 1.481 40 0 BDABRO Clc1cccc(C[C@@H]2C[NH2+]CCO2)c1 ZINC000038212786 363148890 /nfs/dbraw/zinc/14/88/90/363148890.db2.gz FJHLPCIWNNMKKX-LLVKDONJSA-N 1 0 211.692 1.871 40 0 BDABRO O=[N+]1C(c2ccccc2)=CN(O)[C@H]2CCCC[C@@H]21 ZINC000169302067 187645487 /nfs/dbraw/zinc/64/54/87/187645487.db2.gz HHSCFCYOSJBGHY-STQMWFEESA-N 1 0 244.294 1.892 40 0 BDABRO C[n+]1ccc(NC(=O)c2ccccc2)cc1 ZINC000003843450 188275649 /nfs/dbraw/zinc/27/56/49/188275649.db2.gz SLCFSGFZNRXDTH-UHFFFAOYSA-O 1 0 213.260 1.763 40 0 BDABRO COc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000038538977 188283374 /nfs/dbraw/zinc/28/33/74/188283374.db2.gz FVNIYVNCXKSWBF-NSHDSACASA-N 1 0 207.273 1.262 40 0 BDABRO CC(C)N(C(=O)C[NH3+])[C@@H](C)c1nccs1 ZINC000079436240 188291544 /nfs/dbraw/zinc/29/15/44/188291544.db2.gz YOQNXKIYDBPIRM-QMMMGPOBSA-N 1 0 227.333 1.400 40 0 BDABRO Cc1cc(C)n([C@@H](C)CNCC(F)F)n1 ZINC000047474234 188297594 /nfs/dbraw/zinc/29/75/94/188297594.db2.gz AKTQCEGEJDCSGM-VIFPVBQESA-N 1 0 217.263 1.916 40 0 BDABRO CN1CCCSCCSCCC[NH2+]CC1 ZINC000068604429 188304793 /nfs/dbraw/zinc/30/47/93/188304793.db2.gz PLMDYMIBCKXLEQ-UHFFFAOYSA-N 1 0 248.461 1.768 40 0 BDABRO CC(C)[N@@H+]1CCC[C@H](c2cccc(C(N)=O)n2)C1 ZINC000072356939 188307025 /nfs/dbraw/zinc/30/70/25/188307025.db2.gz KKHVEJRECIKNHZ-NSHDSACASA-N 1 0 247.342 1.768 40 0 BDABRO CC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccn1 ZINC000096184730 188321557 /nfs/dbraw/zinc/32/15/57/188321557.db2.gz RZVXZRNBLNJKJQ-UONOGXRCSA-N 1 0 245.326 1.277 40 0 BDABRO CC(C)(C)c1cc(CN2CCC[C@@H]([NH3+])C2)[nH]n1 ZINC000096523542 188321659 /nfs/dbraw/zinc/32/16/59/188321659.db2.gz VMNXHSGITBYWEK-SNVBAGLBSA-N 1 0 236.363 1.630 40 0 BDABRO CCn1nc(C)cc1[C@H](O)C1(C[NH3+])CCC1 ZINC000085395989 188317269 /nfs/dbraw/zinc/31/72/69/188317269.db2.gz VSEWQUFXCZRUTH-NSHDSACASA-N 1 0 223.320 1.374 40 0 BDABRO CC(C)Cn1cc([C@H](O)C2(C[NH3+])CCC2)cn1 ZINC000085395870 188317407 /nfs/dbraw/zinc/31/74/07/188317407.db2.gz QMDWJRGFFCXERV-LBPRGKRZSA-N 1 0 237.347 1.702 40 0 BDABRO CCOC(=O)[C@@H]1C[C@@H]2C(=O)CCCC[C@@H]2N1 ZINC000219774015 188356186 /nfs/dbraw/zinc/35/61/86/188356186.db2.gz ZKQFKCSGDYCDAX-GUBZILKMSA-N 1 0 225.288 1.039 40 0 BDABRO Cc1cccc(NC[C@@H]2COCC[NH2+]2)c1 ZINC000216592251 188355250 /nfs/dbraw/zinc/35/52/50/188355250.db2.gz WHTGKLAAZQRAMK-GFCCVEGCSA-N 1 0 206.289 1.395 40 0 BDABRO C1C[C@H]2[C@]3(N4CCCCC4)C[NH2+]C[C@]23C1 ZINC000216531299 188355359 /nfs/dbraw/zinc/35/53/59/188355359.db2.gz IWXSHYOAUPKULC-JHJVBQTASA-N 1 0 206.333 1.614 40 0 BDABRO Fc1ccc(CN2CCC[NH2+]CC2)cc1F ZINC000038086847 180966377 /nfs/dbraw/zinc/96/63/77/180966377.db2.gz IIDNDLUAKQPREX-UHFFFAOYSA-N 1 0 226.270 1.760 40 0 BDABRO OC[C@@H]1C[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000215720546 355324826 /nfs/dbraw/zinc/32/48/26/355324826.db2.gz DXYYAFINPZAKJE-GXSJLCMTSA-N 1 0 211.692 1.635 40 0 BDABRO NC(=[NH2+])COc1ccc(F)cc1Cl ZINC000058000488 181187093 /nfs/dbraw/zinc/18/70/93/181187093.db2.gz CWNUBAROBONVAK-UHFFFAOYSA-N 1 0 202.616 1.794 40 0 BDABRO NC(=[NH2+])Sc1cc(Br)c[n+]([O-])c1 ZINC000016028407 181192163 /nfs/dbraw/zinc/19/21/63/181192163.db2.gz LDBQZBDQPBTVRV-UHFFFAOYSA-N 1 0 248.105 1.068 40 0 BDABRO Cc1ccc(CNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000011958367 355771030 /nfs/dbraw/zinc/77/10/30/355771030.db2.gz KIGCMANIEVMLTD-LBPRGKRZSA-N 1 0 220.316 1.595 40 0 BDABRO NC(=O)CC[n+]1cccc2ccccc21 ZINC000001707949 181227960 /nfs/dbraw/zinc/22/79/60/181227960.db2.gz PFGAZAJYQCXXSA-UHFFFAOYSA-O 1 0 201.249 1.003 40 0 BDABRO [NH3+][C@@H](CC(=O)N1CCCC1)c1ccccc1 ZINC000019475237 356394772 /nfs/dbraw/zinc/39/47/72/356394772.db2.gz DEGFZOOSPLABMU-LBPRGKRZSA-N 1 0 218.300 1.699 40 0 BDABRO NC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000037460199 181277304 /nfs/dbraw/zinc/27/73/04/181277304.db2.gz GQYJFMBVKKVYEU-SSDOTTSWSA-N 1 0 218.178 1.191 40 0 BDABRO CC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000006440085 356667604 /nfs/dbraw/zinc/66/76/04/356667604.db2.gz KPWWZNXTPVTMJE-VXGBXAGGSA-N 1 0 223.316 1.814 40 0 BDABRO COc1cc(CC[NH+](C)C)cc(OC)c1OC ZINC000001713145 358142715 /nfs/dbraw/zinc/14/27/15/358142715.db2.gz BTSKBPJWJZFTPQ-UHFFFAOYSA-N 1 0 239.315 1.817 40 0 BDABRO FC(F)(F)[C@@H]1CCN(C2CC[NH2+]CC2)C1 ZINC000393778579 359684968 /nfs/dbraw/zinc/68/49/68/359684968.db2.gz PZQMKTYYZQOQLZ-MRVPVSSYSA-N 1 0 222.254 1.623 40 0 BDABRO CC(=O)[C@H](CC[NH+](C)C)c1ccccn1 ZINC000002045661 200650929 /nfs/dbraw/zinc/65/09/29/200650929.db2.gz PJADDLLSRBJPQK-NSHDSACASA-N 1 0 206.289 1.706 40 0 BDABRO C[C@@H]1C[C@H](C[NH3+])N(C(=O)OC(C)(C)C)C1 ZINC000238452036 361078350 /nfs/dbraw/zinc/07/83/50/361078350.db2.gz SPAFVSZOQQYHLU-RKDXNWHRSA-N 1 0 214.309 1.591 40 0 BDABRO [NH3+]CC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000083324609 181347909 /nfs/dbraw/zinc/34/79/09/181347909.db2.gz NPJQSJYQQPDFGV-UHFFFAOYSA-N 1 0 217.190 1.776 40 0 BDABRO [NH3+]CC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000083324616 181348396 /nfs/dbraw/zinc/34/83/96/181348396.db2.gz HZMFHALWGXKOBL-UHFFFAOYSA-N 1 0 217.190 1.776 40 0 BDABRO [NH3+]CCNc1nccc2c(F)cccc21 ZINC000082765940 181398291 /nfs/dbraw/zinc/39/82/91/181398291.db2.gz CBWCLRPZKVODCI-UHFFFAOYSA-N 1 0 205.236 1.745 40 0 BDABRO [NH3+]CCOCc1nc(C(F)(F)F)cs1 ZINC000096528178 181399283 /nfs/dbraw/zinc/39/92/83/181399283.db2.gz IMXJQVAIOJOOMZ-UHFFFAOYSA-N 1 0 226.223 1.637 40 0 BDABRO CC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000006707771 368313372 /nfs/dbraw/zinc/31/33/72/368313372.db2.gz XPGZMQJLQLHJGR-UHFFFAOYSA-N 1 0 233.315 1.397 40 0 BDABRO FC(F)(F)c1cc([C@H]2CCC[NH2+]C2)ncn1 ZINC000019686448 368318323 /nfs/dbraw/zinc/31/83/23/368318323.db2.gz PERIPUXXPQZDLH-ZETCQYMHSA-N 1 0 231.221 1.962 40 0 BDABRO O=C1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2N1 ZINC000019371703 368319552 /nfs/dbraw/zinc/31/95/52/368319552.db2.gz GJKKQZRBXZTOFB-STQMWFEESA-N 1 0 230.311 1.397 40 0 BDABRO O=C1NCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000114863723 368342782 /nfs/dbraw/zinc/34/27/82/368342782.db2.gz KLBIDDAWGHRPBL-CHWSQXEVSA-N 1 0 230.311 1.255 40 0 BDABRO Cc1nccc([C@]2(C)CCC[N@H+](CCO)C2)n1 ZINC000205678347 368357061 /nfs/dbraw/zinc/35/70/61/368357061.db2.gz JIWNTMGVMMBXDD-CYBMUJFWSA-N 1 0 235.331 1.131 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H]([NH3+])[C@H]21 ZINC000514269644 369720870 /nfs/dbraw/zinc/72/08/70/369720870.db2.gz LKFGPMRVNCQJHB-HLTSFMKQSA-N 1 0 212.293 1.343 40 0 BDABRO Cc1cc(N)c(N2CC[NH2+]CC2)cc1C ZINC000256050712 370635059 /nfs/dbraw/zinc/63/50/59/370635059.db2.gz GFBGDSQURBMQGG-UHFFFAOYSA-N 1 0 205.305 1.295 40 0 BDABRO O=C1CC[C@@H](C(F)(F)F)N1C1CC[NH2+]CC1 ZINC000256052484 370636634 /nfs/dbraw/zinc/63/66/34/370636634.db2.gz NMNPMZZJTALZAZ-QMMMGPOBSA-N 1 0 236.237 1.292 40 0 BDABRO C[C@@H]1[C@H]2C[NH2+]C[C@H](C2)CN1C(=O)OC(C)(C)C ZINC000095093766 371248879 /nfs/dbraw/zinc/24/88/79/371248879.db2.gz CSHNBDVNMQPTLV-OUAUKWLOSA-N 1 0 240.347 1.851 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccn2)CC1 ZINC000255187782 181591604 /nfs/dbraw/zinc/59/16/04/181591604.db2.gz GTEXDELEPPTQEF-MGCOHNPYSA-N 1 0 219.288 1.081 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000038539575 181645363 /nfs/dbraw/zinc/64/53/63/181645363.db2.gz DSUSIOJENOJXAX-JTQLQIEISA-N 1 0 226.270 1.888 40 0 BDABRO CC[NH2+][C@@H](C)C(=O)c1cc2c(c(C)c1)OCO2 ZINC000096024547 371380316 /nfs/dbraw/zinc/38/03/16/371380316.db2.gz YCLKQJDSTUZDKJ-VIFPVBQESA-N 1 0 235.283 1.904 40 0 in-vitro BDABRO Nc1nc([C@@H]2CCCC[NH2+]2)cc(C(F)(F)F)n1 ZINC000072343662 181789540 /nfs/dbraw/zinc/78/95/40/181789540.db2.gz QEMBPMYPJSEMEZ-LURJTMIESA-N 1 0 246.236 1.892 40 0 BDABRO O=C(C1CCCCC1)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096054100 181869928 /nfs/dbraw/zinc/86/99/28/181869928.db2.gz ZXCKYFDMNLDRRC-NEPJUHHUSA-N 1 0 222.332 1.387 40 0 BDABRO O=C(CC[C@@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000050940347 181922166 /nfs/dbraw/zinc/92/21/66/181922166.db2.gz FZNMCGZFBDJIEW-LBPRGKRZSA-N 1 0 224.348 1.921 40 0 BDABRO O=C(N[C@H]1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc(F)c1 ZINC000107746048 182317726 /nfs/dbraw/zinc/31/77/26/182317726.db2.gz XDSNTWRLHXQCMV-PTEHBNRSSA-N 1 0 248.301 1.554 40 0 BDABRO O=C(N[C@H]1CC12C[NH2+]C2)OCc1ccccc1 ZINC000255190285 182326361 /nfs/dbraw/zinc/32/63/61/182326361.db2.gz WEBXSECROFKGBF-NSHDSACASA-N 1 0 232.283 1.275 40 0 BDABRO CCCCOCCC[NH2+][C@H](C)CC(=O)OC ZINC000047219159 168896160 /nfs/dbraw/zinc/89/61/60/168896160.db2.gz NHAAAABHNHNJLJ-LLVKDONJSA-N 1 0 231.336 1.734 40 0 BDABRO OCCCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000256054960 183052832 /nfs/dbraw/zinc/05/28/32/183052832.db2.gz YMYNMMIIUJDENO-UHFFFAOYSA-N 1 0 233.262 1.010 40 0 BDABRO OCC[N@H+](C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000048065503 183068844 /nfs/dbraw/zinc/06/88/44/183068844.db2.gz HVTNANVHJNGBOX-GFCCVEGCSA-N 1 0 249.310 1.283 40 0 BDABRO OCCc1cc([C@@H]2CC[N@@H+](C3CCCC3)C2)[nH]n1 ZINC000257201834 183100215 /nfs/dbraw/zinc/10/02/15/183100215.db2.gz AJFBDKGDWAGGMS-LLVKDONJSA-N 1 0 249.358 1.676 40 0 BDABRO OC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000012647816 183128469 /nfs/dbraw/zinc/12/84/69/183128469.db2.gz IBOPBHBOBJYXTD-CMPLNLGQSA-N 1 0 209.264 1.511 40 0 BDABRO O[C@@H]1CC[NH2+]C[C@H]1Cc1ccc(F)cc1 ZINC000071511544 183201220 /nfs/dbraw/zinc/20/12/20/183201220.db2.gz SDHWOLCHGIIQEJ-ZYHUDNBSSA-N 1 0 209.264 1.339 40 0 BDABRO Oc1ccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)cc1 ZINC000064875550 183263900 /nfs/dbraw/zinc/26/39/00/183263900.db2.gz LJLJBGYJORQZKK-UHFFFAOYSA-N 1 0 244.298 1.644 40 0 BDABRO c1c(N2CCC[NH2+]CC2)n[nH]c1-c1ccccn1 ZINC000071328700 183379295 /nfs/dbraw/zinc/37/92/95/183379295.db2.gz VZFADBUHURHJEL-UHFFFAOYSA-N 1 0 243.314 1.271 40 0 BDABRO c1[nH]nc2cccc(O[C@H]3CCC[NH2+]C3)c12 ZINC000080442807 183360361 /nfs/dbraw/zinc/36/03/61/183360361.db2.gz STOFNJTWRGUZBE-VIFPVBQESA-N 1 0 217.272 1.694 40 0 BDABRO CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1 ZINC000257323422 169250721 /nfs/dbraw/zinc/25/07/21/169250721.db2.gz WKCBBIIVWBMWEH-CYBMUJFWSA-N 1 0 247.342 1.988 40 0 BDABRO c1ccc(-n2nnnc2C2CC[NH2+]CC2)cc1 ZINC000006746709 183388075 /nfs/dbraw/zinc/38/80/75/183388075.db2.gz BVQPWTCMJPFDLR-UHFFFAOYSA-N 1 0 229.287 1.129 40 0 BDABRO c1ccc(CO[C@@H]2COC3(C2)CC[NH2+]CC3)nc1 ZINC000096106919 183407801 /nfs/dbraw/zinc/40/78/01/183407801.db2.gz JOFQFBRIRWIZTQ-ZDUSSCGKSA-N 1 0 248.326 1.509 40 0 BDABRO c1ccc(N[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1 ZINC000096040697 183418342 /nfs/dbraw/zinc/41/83/42/183418342.db2.gz ACXOXSGBASEALF-LOWVWBTDSA-N 1 0 233.315 1.261 40 0 BDABRO CCC[NH2+][C@H]1CCc2nc(N)sc2[C@H]1O ZINC000065742991 169292282 /nfs/dbraw/zinc/29/22/82/169292282.db2.gz UWNDKVURLHPSSG-XPUUQOCRSA-N 1 0 227.333 1.073 40 0 in-vitro BDABRO CC(C)(C)OC(=O)N1C[C@@H]2[NH2+]C[C@@]2(C)C1 ZINC000238184708 166655973 /nfs/dbraw/zinc/65/59/73/166655973.db2.gz MAAKDBFEHVWWNI-KWQFWETISA-N 1 0 212.293 1.215 40 0 BDABRO CC(C)(C)OC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000072194416 166661458 /nfs/dbraw/zinc/66/14/58/166661458.db2.gz OWGYHEOEGOLPEK-VIFPVBQESA-N 1 0 214.309 1.511 40 0 BDABRO C[NH+](C)C[C@]1(C)Cc2ccsc2[C@@H]1O ZINC000001615698 383912970 /nfs/dbraw/zinc/91/29/70/383912970.db2.gz FQCISXOVQQDYON-QWRGUYRKSA-N 1 0 211.330 1.906 40 0 BDABRO CN(Cc1ccc(Cl)cc1)C(=O)C[NH3+] ZINC000037493507 383883692 /nfs/dbraw/zinc/88/36/92/383883692.db2.gz JBOPFTIWZUDBKT-UHFFFAOYSA-N 1 0 212.680 1.257 40 0 BDABRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH3+] ZINC000037495235 383884490 /nfs/dbraw/zinc/88/44/90/383884490.db2.gz QXSJVONMESDOME-UHFFFAOYSA-N 1 0 247.125 1.911 40 0 BDABRO C[NH+](C)CCc1c[nH]c2ccc(CO)cc12 ZINC000038435682 384082889 /nfs/dbraw/zinc/08/28/89/384082889.db2.gz QISRIZCNFDUGMK-UHFFFAOYSA-N 1 0 218.300 1.764 40 0 in-vitro BDABRO [NH3+]C[C@H](O)CNc1ccccc1Br ZINC000005162267 384104135 /nfs/dbraw/zinc/10/41/35/384104135.db2.gz SFEBOPIYELCDSW-ZETCQYMHSA-N 1 0 245.120 1.181 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@H]1COCC[NH3+] ZINC000079390616 384134046 /nfs/dbraw/zinc/13/40/46/384134046.db2.gz YRLRLQNQBWSUMZ-JTQLQIEISA-N 1 0 244.335 1.361 40 0 BDABRO Cc1cnc(Cl)nc1N1CCC[NH2+]CC1 ZINC000091355937 384121258 /nfs/dbraw/zinc/12/12/58/384121258.db2.gz BIYFBCUAQQALRL-UHFFFAOYSA-N 1 0 226.711 1.238 40 0 BDABRO COC(=O)/C=C\[C@@H]([NH3+])Cc1ccccc1 ZINC000091365983 384123188 /nfs/dbraw/zinc/12/31/88/384123188.db2.gz GIBLLUQATZGTAM-SKVAFPRGSA-N 1 0 205.257 1.286 40 0 BDABRO C[N@H+](CCO)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393485 384132826 /nfs/dbraw/zinc/13/28/26/384132826.db2.gz MTRQJONYPRIQNA-AWEZNQCLSA-N 1 0 234.343 1.185 40 0 BDABRO C[C@H](c1nccs1)N(C(=O)[C@H](C)[NH3+])C1CC1 ZINC000079436394 384147071 /nfs/dbraw/zinc/14/70/71/384147071.db2.gz XPRITXJMSHFDKO-JGVFFNPUSA-N 1 0 239.344 1.542 40 0 BDABRO CC(C)N(C(=O)C[NH3+])[C@H](C)c1nccs1 ZINC000079436244 384147103 /nfs/dbraw/zinc/14/71/03/384147103.db2.gz YOQNXKIYDBPIRM-MRVPVSSYSA-N 1 0 227.333 1.400 40 0 BDABRO CC(=O)N(C(C)C)[C@@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079416536 384139698 /nfs/dbraw/zinc/13/96/98/384139698.db2.gz UECAOWQKLNMXRT-QWHCGFSZSA-N 1 0 242.363 1.136 40 0 BDABRO [NH3+]CCOc1cccc(OC(F)F)c1 ZINC000041211470 384182967 /nfs/dbraw/zinc/18/29/67/384182967.db2.gz FYCBYRDTDQNFJR-UHFFFAOYSA-N 1 0 203.188 1.626 40 0 BDABRO [NH3+][C@@H](Cc1ccccc1)C(=S)N1CCCC1 ZINC000072228934 384202162 /nfs/dbraw/zinc/20/21/62/384202162.db2.gz DKMBASTWMXHVNH-LBPRGKRZSA-N 1 0 234.368 1.980 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@]2(C[NH3+])C[C@H]2C1 ZINC000072208614 384199742 /nfs/dbraw/zinc/19/97/42/384199742.db2.gz KRLUHUHTEQKZGN-CABZTGNLSA-N 1 0 226.320 1.592 40 0 BDABRO COCc1nc(C2CC[NH+](C)CC2)no1 ZINC000072350692 384210422 /nfs/dbraw/zinc/21/04/22/384210422.db2.gz FWEBDIMZGSCCDX-UHFFFAOYSA-N 1 0 211.265 1.025 40 0 BDABRO Cc1ccc([C@@H]2CCC[N@H+](CCO)C2)nc1 ZINC000072381327 384217130 /nfs/dbraw/zinc/21/71/30/384217130.db2.gz KQZXWJZCXZNLEG-GFCCVEGCSA-N 1 0 220.316 1.562 40 0 BDABRO O[C@H]1CCN(c2cccc(C3CC[NH2+]CC3)n2)C1 ZINC000072386880 384220526 /nfs/dbraw/zinc/22/05/26/384220526.db2.gz HAQCGWXOBNZFJI-LBPRGKRZSA-N 1 0 247.342 1.120 40 0 BDABRO Cc1nc(-c2cccnc2)cc([C@@H]2CC[NH2+]C2)n1 ZINC000072386808 384220673 /nfs/dbraw/zinc/22/06/73/384220673.db2.gz QQDDPCRBETWWEY-GFCCVEGCSA-N 1 0 240.310 1.924 40 0 BDABRO C=Cn1cc(C[N@@H+]2CCC[C@H](CO)C2)c(C)n1 ZINC000072397825 384221290 /nfs/dbraw/zinc/22/12/90/384221290.db2.gz ANTCZZJIITYNDD-LBPRGKRZSA-N 1 0 235.331 1.496 40 0 BDABRO [NH3+][C@@H]1COc2cc(Br)ccc2C1 ZINC000082351177 384222175 /nfs/dbraw/zinc/22/21/75/384222175.db2.gz PENWOCORUAEMTR-QMMMGPOBSA-N 1 0 228.089 1.711 40 0 BDABRO c1csc(-c2cc(N3CC[NH2+]CC3)ncn2)c1 ZINC000082553122 384328187 /nfs/dbraw/zinc/32/81/87/384328187.db2.gz CFLKVTYJMVAXEF-UHFFFAOYSA-N 1 0 246.339 1.615 40 0 BDABRO O=C1CCCC2(CC[NH+](Cc3ccoc3)CC2)N1 ZINC000096047385 384427434 /nfs/dbraw/zinc/42/74/34/384427434.db2.gz GOXCVUZWJACGNB-UHFFFAOYSA-N 1 0 248.326 1.914 40 0 BDABRO O=C(c1ccco1)N1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000096246252 384445320 /nfs/dbraw/zinc/44/53/20/384445320.db2.gz VWNRITNBBNUUOE-ZJUUUORDSA-N 1 0 220.272 1.104 40 0 BDABRO C[NH+](C)CC[C@H](C(N)=O)c1ccccc1 ZINC000001700045 384450361 /nfs/dbraw/zinc/45/03/61/384450361.db2.gz MNABLGASNPJRDC-NSHDSACASA-N 1 0 206.289 1.207 40 0 BDABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccoc3)CC2)N1 ZINC000096047438 384429980 /nfs/dbraw/zinc/42/99/80/384429980.db2.gz IDUFQBPOIYDJKI-CQSZACIVSA-N 1 0 248.326 1.914 40 0 BDABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](CC1CC1)C2 ZINC000096056767 384431712 /nfs/dbraw/zinc/43/17/12/384431712.db2.gz UDHXMYVILOGCFL-KGLIPLIRSA-N 1 0 239.359 1.914 40 0 BDABRO Cn1cccc1C[N@@H+]1CCC[C@]2(CCNC2=O)C1 ZINC000096073912 384431940 /nfs/dbraw/zinc/43/19/40/384431940.db2.gz FGHSBQBGFUJLMH-AWEZNQCLSA-N 1 0 247.342 1.127 40 0 BDABRO c1ccc(CO[C@H]2COC3(C2)CC[NH2+]CC3)nc1 ZINC000096106918 384434338 /nfs/dbraw/zinc/43/43/38/384434338.db2.gz JOFQFBRIRWIZTQ-CYBMUJFWSA-N 1 0 248.326 1.509 40 0 BDABRO CO[C@@H]1CO[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096218344 384443073 /nfs/dbraw/zinc/44/30/73/384443073.db2.gz VEKMASJUMRBDAS-UONOGXRCSA-N 1 0 248.326 1.461 40 0 BDABRO COC(=O)c1cc(C[NH3+])ccc1N1CCCC1=O ZINC000199823320 384561032 /nfs/dbraw/zinc/56/10/32/384561032.db2.gz NQHPNKBEGAUQOA-UHFFFAOYSA-N 1 0 248.282 1.059 40 0 BDABRO CCOC[C@H]1C[NH2+]Cc2nn(CC)cc21 ZINC000306131992 384665955 /nfs/dbraw/zinc/66/59/55/384665955.db2.gz KVERIUZAUPZGLY-SECBINFHSA-N 1 0 209.293 1.126 40 0 BDABRO CCn1ccnc1[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000083721113 384850265 /nfs/dbraw/zinc/85/02/65/384850265.db2.gz ZIUURKZUGRXXDW-ZJUUUORDSA-N 1 0 209.293 1.329 40 0 BDABRO COCCn1cc(-c2nc(C[NH3+])cs2)cn1 ZINC000095093937 384908841 /nfs/dbraw/zinc/90/88/41/384908841.db2.gz LQEFDFWTWPUJGJ-UHFFFAOYSA-N 1 0 238.316 1.112 40 0 BDABRO c1cncc(COC[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)c1 ZINC000107488042 384973489 /nfs/dbraw/zinc/97/34/89/384973489.db2.gz XOKBKQZPZJDEDZ-MGPQQGTHSA-N 1 0 248.326 1.508 40 0 BDABRO Clc1ccc(CNC[C@@H]2CCC[NH2+]2)cn1 ZINC000072203713 385058123 /nfs/dbraw/zinc/05/81/23/385058123.db2.gz DQSUQDDMLRERFZ-JTQLQIEISA-N 1 0 225.723 1.577 40 0 BDABRO CNC(=O)C[C@@H](c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000072208317 385062329 /nfs/dbraw/zinc/06/23/29/385062329.db2.gz UHWOETRDJGJSHV-QWHCGFSZSA-N 1 0 232.327 1.658 40 0 BDABRO CC[C@H]([NH3+])[C@@H](C)NC(=O)OC(C)(C)C ZINC000072208902 385064464 /nfs/dbraw/zinc/06/44/64/385064464.db2.gz STQXVGTXOOQFKZ-SFYZADRCSA-N 1 0 202.298 1.637 40 0 BDABRO CCOC(=O)[C@H](CN)[C@](C)(CC)[NH+](CC)CC ZINC000072210430 385068550 /nfs/dbraw/zinc/06/85/50/385068550.db2.gz IXTGTFBYFGOFFI-AAEUAGOBSA-N 1 0 244.379 1.635 40 0 BDABRO CNc1ccc([C@@H]2CCCN2C(C)=O)cn1 ZINC000072212470 385074696 /nfs/dbraw/zinc/07/46/96/385074696.db2.gz VOLMXRSWWMQGJS-NSHDSACASA-N 1 0 219.288 1.807 40 0 BDABRO CC(=O)N1CCC[C@@H]1c1cccnc1N ZINC000072212411 385076704 /nfs/dbraw/zinc/07/67/04/385076704.db2.gz MJAKQUBJFUNTDO-SNVBAGLBSA-N 1 0 205.261 1.347 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nc(-c2ccccn2)n[nH]1 ZINC000095534729 385045197 /nfs/dbraw/zinc/04/51/97/385045197.db2.gz MVFSPIWPBBXOEI-SECBINFHSA-N 1 0 217.276 1.523 40 0 BDABRO [NH3+]C[C@H]1C[C@@H]1CN1CCc2ccccc21 ZINC000096509408 385240729 /nfs/dbraw/zinc/24/07/29/385240729.db2.gz LEMZYZWTWUEHLL-VXGBXAGGSA-N 1 0 202.301 1.644 40 0 BDABRO Cc1nc2ccccc2c(N2CCC([NH3+])CC2)n1 ZINC000096516014 385257646 /nfs/dbraw/zinc/25/76/46/385257646.db2.gz XUKWADNSBCHYGV-UHFFFAOYSA-N 1 0 242.326 1.866 40 0 BDABRO Cn1c2c(ccc1=O)[C@H]([NH3+])CC(C)(C)C2 ZINC000096509748 385245483 /nfs/dbraw/zinc/24/54/83/385245483.db2.gz KZNKVQNZEYGPGJ-SECBINFHSA-N 1 0 206.289 1.358 40 0 BDABRO c1cncc(-c2n[nH]c3c2[C@H]2CC[C@@H](C3)[NH2+]2)c1 ZINC000096510298 385246827 /nfs/dbraw/zinc/24/68/27/385246827.db2.gz MNDDWZHBPFTCEY-VHSXEESVSA-N 1 0 226.283 1.821 40 0 BDABRO CC(C)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000062615433 385248773 /nfs/dbraw/zinc/24/87/73/385248773.db2.gz FXQBXYJXSIJDGO-ZDUSSCGKSA-N 1 0 232.327 1.816 40 0 BDABRO C1CC1c1nc2c(c(N3CC[NH2+]CC3)n1)CCC2 ZINC000096516921 385255603 /nfs/dbraw/zinc/25/56/03/385255603.db2.gz SYCHBDMMQBWRFN-UHFFFAOYSA-N 1 0 244.342 1.252 40 0 BDABRO Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000096311760 385315832 /nfs/dbraw/zinc/31/58/32/385315832.db2.gz NDTDRLYBIWPXLW-CYBMUJFWSA-N 1 0 205.301 1.870 40 0 BDABRO c1ccc2c(CN3CCC[NH2+]CC3)n[nH]c2c1 ZINC000096523656 385267061 /nfs/dbraw/zinc/26/70/61/385267061.db2.gz XXEGZEHXKYDKTA-UHFFFAOYSA-N 1 0 230.315 1.358 40 0 BDABRO CN(C)c1cccc(CN2CC[C@H]([NH3+])C2)c1 ZINC000096523505 385267398 /nfs/dbraw/zinc/26/73/98/385267398.db2.gz BCPOOWULFFLMKH-LBPRGKRZSA-N 1 0 219.332 1.286 40 0 BDABRO [NH3+][C@H]1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000096523481 385269456 /nfs/dbraw/zinc/26/94/56/385269456.db2.gz GFAYNXBTNLEPCX-LBPRGKRZSA-N 1 0 242.326 1.610 40 0 BDABRO C[NH2+]CCN1CCN(c2cc(C)ccc2C)CC1 ZINC000096523954 385272089 /nfs/dbraw/zinc/27/20/89/385272089.db2.gz SIPWXZZDKPPIMA-UHFFFAOYSA-N 1 0 247.386 1.645 40 0 BDABRO CC(C)CCN1CC2(CC[NH2+]CC2)OCC1=O ZINC000096531530 385282546 /nfs/dbraw/zinc/28/25/46/385282546.db2.gz WBTFFCFASLHGBT-UHFFFAOYSA-N 1 0 240.347 1.014 40 0 BDABRO CC(C)[C@@H](C[C@@H]1CCCC[NH2+]1)OC1COC1 ZINC000096530068 385285616 /nfs/dbraw/zinc/28/56/16/385285616.db2.gz ABEUXFLSJOQJDM-WCQYABFASA-N 1 0 227.348 1.959 40 0 BDABRO CCCCCC[NH2+]Cc1cnc(N)nc1 ZINC000062717370 385713310 /nfs/dbraw/zinc/71/33/10/385713310.db2.gz ACSJMQROLANJHH-UHFFFAOYSA-N 1 0 208.309 1.729 40 0 BDABRO C[NH+](C)CCNc1ccnc(Cl)n1 ZINC000038579731 385670170 /nfs/dbraw/zinc/67/01/70/385670170.db2.gz UCFIYCGRHQHCCZ-UHFFFAOYSA-N 1 0 200.673 1.104 40 0 BDABRO CC1(c2nc(-c3ccccn3)no2)CC[NH2+]CC1 ZINC000062843192 385733109 /nfs/dbraw/zinc/73/31/09/385733109.db2.gz KUTIWVKHFBWSQX-UHFFFAOYSA-N 1 0 244.298 1.773 40 0 BDABRO CCCn1ccnc1C[N@@H+]1C[C@@H]2C[C@@H](O)C[C@@H]2C1 ZINC000257204015 385752864 /nfs/dbraw/zinc/75/28/64/385752864.db2.gz ASRLBBHYZAHKEO-ITGUQSILSA-N 1 0 249.358 1.496 40 0 BDABRO c1cncc(O[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000257200337 385752948 /nfs/dbraw/zinc/75/29/48/385752948.db2.gz ACXDHPHPHSRPRW-USWWRNFRSA-N 1 0 204.273 1.458 40 0 BDABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@H+]2C)n1 ZINC000257230058 385754655 /nfs/dbraw/zinc/75/46/55/385754655.db2.gz GAPJDKQGKXOAEL-GFCCVEGCSA-N 1 0 243.314 1.942 40 0 BDABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257238756 385756432 /nfs/dbraw/zinc/75/64/32/385756432.db2.gz HMKFLVXJMBSEHP-JTQLQIEISA-N 1 0 231.303 1.431 40 0 BDABRO CC(C)COc1ccc([C@H](O)C[NH3+])cc1 ZINC000032012237 385757130 /nfs/dbraw/zinc/75/71/30/385757130.db2.gz ZVJVTRCHTXNKIV-GFCCVEGCSA-N 1 0 209.289 1.714 40 0 BDABRO CC(C)[C@@H]1C[C@]2(C)NC(=O)CCCC[C@@H]2[NH2+]1 ZINC000212420408 385722422 /nfs/dbraw/zinc/72/24/22/385722422.db2.gz YTJHWPBFPYOISP-GVXVVHGQSA-N 1 0 224.348 1.822 40 0 biogenic BDABRO CN(CC[NH3+])Cc1cccc(Br)c1 ZINC000096319879 385912312 /nfs/dbraw/zinc/91/23/12/385912312.db2.gz KDFMZMOEZVLHKX-UHFFFAOYSA-N 1 0 243.148 1.840 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000144231512 385875425 /nfs/dbraw/zinc/87/54/25/385875425.db2.gz VNJDWHIKXSJJGX-NEPJUHHUSA-N 1 0 219.284 1.505 40 0 BDABRO c1cncc(CN2CC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000306135347 385992585 /nfs/dbraw/zinc/99/25/85/385992585.db2.gz OOBSLYJWXMHXHX-NEPJUHHUSA-N 1 0 203.289 1.018 40 0 BDABRO COC(=O)c1ccc2c(c1)OC[C@@]21CC[NH2+]1 ZINC000306145386 385995328 /nfs/dbraw/zinc/99/53/28/385995328.db2.gz CYYFHJYIWMGNOY-LBPRGKRZSA-N 1 0 219.240 1.054 40 0 BDABRO O=C1Nc2cccc(F)c2C12CC[NH2+]CC2 ZINC000409418986 385955885 /nfs/dbraw/zinc/95/58/85/385955885.db2.gz KOTADWPXIVOMAC-UHFFFAOYSA-N 1 0 220.247 1.399 40 0 BDABRO CC/C=C/CC[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000189453731 386017711 /nfs/dbraw/zinc/01/77/11/386017711.db2.gz FYOCGYMPEGJKNM-LXYZTQFVSA-N 1 0 224.348 1.976 40 0 BDABRO CSc1ccc(C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000222549898 386052677 /nfs/dbraw/zinc/05/26/77/386052677.db2.gz YONZMYDRVVTDEC-SECBINFHSA-N 1 0 222.313 1.860 40 0 BDABRO CCCn1cccc1CN1CC[NH2+]CC1 ZINC000225309802 386185419 /nfs/dbraw/zinc/18/54/19/386185419.db2.gz AALRMJIPXLLGIY-UHFFFAOYSA-N 1 0 207.321 1.303 40 0 BDABRO Cc1ccnc(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000040458933 386199132 /nfs/dbraw/zinc/19/91/32/386199132.db2.gz IKXQGZXUWROCTQ-JTQLQIEISA-N 1 0 207.277 1.312 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2[NH3+] ZINC000091304612 386293481 /nfs/dbraw/zinc/29/34/81/386293481.db2.gz IKTNEZKFSOMQJI-VWYCJHECSA-N 1 0 240.347 1.981 40 0 BDABRO Cc1cc(F)ccc1NC(=O)NC1C[NH2+]C1 ZINC000335260633 386318444 /nfs/dbraw/zinc/31/84/44/386318444.db2.gz ZVZSMLAHNWLRQH-UHFFFAOYSA-N 1 0 223.251 1.227 40 0 BDABRO C[NH+](C)CCNc1nc(Cl)ccc1N ZINC000096311477 386595774 /nfs/dbraw/zinc/59/57/74/386595774.db2.gz ROZJYLMHMRFBPW-UHFFFAOYSA-N 1 0 214.700 1.291 40 0 BDABRO Cn1cccc1-c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000096531610 386606651 /nfs/dbraw/zinc/60/66/51/386606651.db2.gz HMVQSGOCMFCQCD-VIFPVBQESA-N 1 0 232.287 1.542 40 0 BDABRO COC[C@H]1C[NH2+]Cc2cnn(CC3CCCC3)c21 ZINC000096044743 387012848 /nfs/dbraw/zinc/01/28/48/387012848.db2.gz KEAKKYAIVNWKPK-CYBMUJFWSA-N 1 0 249.358 1.907 40 0 BDABRO O=C1N(c2cccc(F)c2)CC12CC[NH2+]CC2 ZINC000096202991 387022111 /nfs/dbraw/zinc/02/21/11/387022111.db2.gz UJJITAYJYKFHLA-UHFFFAOYSA-N 1 0 234.274 1.542 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@]2([NH3+])CCC[C@H]12 ZINC000110915466 387157231 /nfs/dbraw/zinc/15/72/31/387157231.db2.gz TUBKTTUXJKGATN-JOYOIKCWSA-N 1 0 226.320 1.877 40 0 BDABRO O=C(C[NH2+]C1CC1)NCc1cccs1 ZINC000004861392 387464420 /nfs/dbraw/zinc/46/44/20/387464420.db2.gz VZLZXHKUKFQYSU-UHFFFAOYSA-N 1 0 210.302 1.116 40 0 BDABRO CCn1ccc(CNCC[NH+](CC)CC)n1 ZINC000256054083 387862769 /nfs/dbraw/zinc/86/27/69/387862769.db2.gz UWPIQSGYCFPFDK-UHFFFAOYSA-N 1 0 224.352 1.334 40 0 BDABRO c1cncc(N2CCC[C@]23CC[NH2+]C3)c1 ZINC000013975446 387878310 /nfs/dbraw/zinc/87/83/10/387878310.db2.gz GIMNNDHNRSREAB-GFCCVEGCSA-N 1 0 203.289 1.414 40 0 BDABRO C[C@@H]([NH2+]C1CCN(C)CC1)[C@H]1CCOC1 ZINC000132239010 388357759 /nfs/dbraw/zinc/35/77/59/388357759.db2.gz YWOUFBRDUWRXKT-MNOVXSKESA-N 1 0 212.337 1.095 40 0 BDABRO c1coc(CN2CC[NH2+][C@H]3CCCC[C@H]32)c1 ZINC000218828406 388393035 /nfs/dbraw/zinc/39/30/35/388393035.db2.gz IEYUBRTWVMCPLT-QWHCGFSZSA-N 1 0 220.316 1.996 40 0 BDABRO C[C@@](O)(C1CCCCC1)[C@H]1C[NH2+]CCO1 ZINC000242575021 388399760 /nfs/dbraw/zinc/39/97/60/388399760.db2.gz NOVWYCUQKFQOHT-VXGBXAGGSA-N 1 0 213.321 1.306 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccc(C)o1 ZINC000242548242 388399839 /nfs/dbraw/zinc/39/98/39/388399839.db2.gz LEWINZHAPWFTQH-ZJUUUORDSA-N 1 0 223.272 1.406 40 0 BDABRO c1nc2n(c1CNc1ccccn1)CC[NH2+]CC2 ZINC000101142534 388616020 /nfs/dbraw/zinc/61/60/20/388616020.db2.gz NQPUVIMZYVMANE-UHFFFAOYSA-N 1 0 243.314 1.036 40 0 BDABRO Cn1cc2c(n1)C[NH2+]C[C@H]2COCC1CC1 ZINC000306139718 388629486 /nfs/dbraw/zinc/62/94/86/388629486.db2.gz TYFKIEJMRXXIDH-JTQLQIEISA-N 1 0 221.304 1.034 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccco1 ZINC000252517034 388654184 /nfs/dbraw/zinc/65/41/84/388654184.db2.gz ZBOTWDDBFUHQSN-RKDXNWHRSA-N 1 0 209.245 1.098 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@@H]1c1ccccc1Cl ZINC000062713503 388655459 /nfs/dbraw/zinc/65/54/59/388655459.db2.gz HBXDEOLXDVKMAL-KOLCDFICSA-N 1 0 211.692 1.765 40 0 BDABRO CCOc1cc(NC[C@@H]2CCC[NH2+]C2)ncn1 ZINC000079438813 388696490 /nfs/dbraw/zinc/69/64/90/388696490.db2.gz HIVURTPCXFEQHL-SNVBAGLBSA-N 1 0 236.319 1.287 40 0 BDABRO Cc1ccc(C[NH2+]C[C@H]2CCCO2)n1C ZINC000226018938 388696536 /nfs/dbraw/zinc/69/65/36/388696536.db2.gz AMWILLIDXZFEEK-GFCCVEGCSA-N 1 0 208.305 1.602 40 0 BDABRO Cc1cc(-c2nccn2C)nc([C@H]2CC[NH2+]C2)n1 ZINC000257303211 388698476 /nfs/dbraw/zinc/69/84/76/388698476.db2.gz SGFOGLMIPCVVAR-JTQLQIEISA-N 1 0 243.314 1.262 40 0 BDABRO Cc1ccc(OC[C@H]2C[NH2+]CCO2)cc1 ZINC000011587390 388707505 /nfs/dbraw/zinc/70/75/05/388707505.db2.gz CBTFVMDQMXEZAE-GFCCVEGCSA-N 1 0 207.273 1.362 40 0 BDABRO Fc1ccc(-c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000095705141 388784084 /nfs/dbraw/zinc/78/40/84/388784084.db2.gz FDOLDXHLHINCSF-UHFFFAOYSA-N 1 0 229.258 1.928 40 0 BDABRO CN(CCc1ccncc1)C[C@@H]1CCCC[NH2+]1 ZINC000096319906 388815887 /nfs/dbraw/zinc/81/58/87/388815887.db2.gz PEROXZZSQGVHGQ-AWEZNQCLSA-N 1 0 233.359 1.698 40 0 BDABRO CCOc1ccc([C@H]2CN(C)C[C@H]2[NH3+])cc1 ZINC000242495790 388818413 /nfs/dbraw/zinc/81/84/13/388818413.db2.gz GQILZPOUUGGDAF-CHWSQXEVSA-N 1 0 220.316 1.442 40 0 BDABRO CCN(CC)c1cc(N2CCC([NH3+])CC2)ncn1 ZINC000040434352 132347717 /nfs/dbraw/zinc/34/77/17/132347717.db2.gz UMXYEECFVGOFRA-UHFFFAOYSA-N 1 0 249.362 1.250 40 0 BDABRO Cc1cnc(N2CC[NH2+]C[C@H]2C)nc1Cl ZINC000072203384 132396448 /nfs/dbraw/zinc/39/64/48/132396448.db2.gz WARAGHFHVBJBJC-MRVPVSSYSA-N 1 0 226.711 1.237 40 0 BDABRO O=C([C@@H]1CCCCC[NH2+]1)N1CCCCCC1 ZINC000080993017 135385152 /nfs/dbraw/zinc/38/51/52/135385152.db2.gz DWHBSZHJLYDLAW-LBPRGKRZSA-N 1 0 224.348 1.921 40 0 BDABRO COC(=O)CC1CC[NH+](CC2CC2)CC1 ZINC000015423831 173524937 /nfs/dbraw/zinc/52/49/37/173524937.db2.gz ZSCNNUUNIZNJEV-UHFFFAOYSA-N 1 0 211.305 1.672 40 0 BDABRO CC(C)OCCCN1CC[NH2+][C@H]2CCC[C@H]21 ZINC000218842724 167216443 /nfs/dbraw/zinc/21/64/43/167216443.db2.gz SHGHLIYBOOHATO-QWHCGFSZSA-N 1 0 226.364 1.628 40 0 BDABRO c1ccc2c(c1)OC[C@@H](C[NH2+]C1CC1)O2 ZINC000036947962 409793968 /nfs/dbraw/zinc/79/39/68/409793968.db2.gz ZMFDDGSEGURALT-SNVBAGLBSA-N 1 0 205.257 1.578 40 0 BDABRO [NH3+][C@H]1c2ccc(Br)cc2C[C@@H]1O ZINC000072406691 410028569 /nfs/dbraw/zinc/02/85/69/410028569.db2.gz YZIMVSYYLNJRLQ-IUCAKERBSA-N 1 0 228.089 1.366 40 0 BDABRO [NH3+]Cc1cncn1Cc1c(F)cccc1F ZINC000076672678 410522224 /nfs/dbraw/zinc/52/22/24/410522224.db2.gz GTPKXDLFNCROHO-UHFFFAOYSA-N 1 0 223.226 1.668 40 0 BDABRO CC(C)C[NH2+]C[C@H](O)COc1ccccc1 ZINC000001668542 167006328 /nfs/dbraw/zinc/00/63/28/167006328.db2.gz ZCSOJUBZNQXUFB-LBPRGKRZSA-N 1 0 223.316 1.672 40 0 BDABRO CC(C)[N@@H+]1CC[C@H](c2ccnc(N)n2)C1 ZINC000072356978 167026845 /nfs/dbraw/zinc/02/68/45/167026845.db2.gz MVSXEMCZGMALSC-VIFPVBQESA-N 1 0 206.293 1.257 40 0 BDABRO CC(C)n1cc(C[NH2+]C[C@H]2CCCO2)cn1 ZINC000163970194 167751022 /nfs/dbraw/zinc/75/10/22/167751022.db2.gz SLEUZDDZPIVMAL-GFCCVEGCSA-N 1 0 223.320 1.733 40 0 BDABRO CC1=C(c2ccc(F)cc2)[N+](=O)C(C)(C)N1O ZINC000019331165 168139608 /nfs/dbraw/zinc/13/96/08/168139608.db2.gz WUJITXWOZCBJNK-UHFFFAOYSA-N 1 0 236.246 1.846 40 0 BDABRO CCN(Cc1cnn(CC)c1)C[C@H]1CCC[NH2+]1 ZINC000096523697 169931994 /nfs/dbraw/zinc/93/19/94/169931994.db2.gz YGGVOPPPCGCKLB-CYBMUJFWSA-N 1 0 236.363 1.477 40 0 BDABRO CC[NH2+]CCCNC(=O)OC(C)(C)C ZINC000039953857 170112813 /nfs/dbraw/zinc/11/28/13/170112813.db2.gz OMWYORSLYQMJGD-UHFFFAOYSA-N 1 0 202.298 1.511 40 0 BDABRO CCOC(=O)C1CCC(N2CC[NH2+]CC2)CC1 ZINC000095908501 170192268 /nfs/dbraw/zinc/19/22/68/170192268.db2.gz KAXGYJPPBHGEDC-UHFFFAOYSA-N 1 0 240.347 1.014 40 0 BDABRO CCOC(=O)c1c(N)sc2c1C[NH2+][C@@H](C)C2 ZINC000026893794 170289433 /nfs/dbraw/zinc/28/94/33/170289433.db2.gz VCOXWAFMALJNIA-LURJTMIESA-N 1 0 240.328 1.541 40 0 BDABRO CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123200 171242267 /nfs/dbraw/zinc/24/22/67/171242267.db2.gz JDLXWZOSNRKHLR-OUAUKWLOSA-N 1 0 213.321 1.916 40 0 BDABRO CCn1c2ccccc2nc1N1CCC[C@@H]([NH3+])C1 ZINC000043220238 172146268 /nfs/dbraw/zinc/14/62/68/172146268.db2.gz ZRYWOHWETUYIKS-LLVKDONJSA-N 1 0 244.342 1.984 40 0 BDABRO CCn1c(=O)ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000096509750 172148590 /nfs/dbraw/zinc/14/85/90/172148590.db2.gz NWTOKACAEVFTAQ-JTQLQIEISA-N 1 0 220.316 1.840 40 0 BDABRO CCn1cccc1-c1noc(C[NH2+]C)n1 ZINC000328579493 172203475 /nfs/dbraw/zinc/20/34/75/172203475.db2.gz LGXBOKXDHHOCAG-UHFFFAOYSA-N 1 0 206.249 1.277 40 0 BDABRO CCn1cncc1C[N@@H+]1CCCC[C@H]1CCO ZINC000013568260 172232736 /nfs/dbraw/zinc/23/27/36/172232736.db2.gz BMAMESFUABBTOQ-LBPRGKRZSA-N 1 0 237.347 1.640 40 0 BDABRO CCn1nc(C)c(CNCCC[NH+](C)C)c1F ZINC000256050776 172245662 /nfs/dbraw/zinc/24/56/62/172245662.db2.gz GMATXRLCBBDAPI-UHFFFAOYSA-N 1 0 242.342 1.392 40 0 BDABRO CCn1nccc1CN1CCCC[C@H]1C[NH3+] ZINC000096523613 172266593 /nfs/dbraw/zinc/26/65/93/172266593.db2.gz PPVWMWDODPODLH-NSHDSACASA-N 1 0 222.336 1.216 40 0 BDABRO CN(c1ccnc(Cl)n1)C1CC[NH2+]CC1 ZINC000072203517 172951183 /nfs/dbraw/zinc/95/11/83/172951183.db2.gz INYUEXMMNVTYTF-UHFFFAOYSA-N 1 0 226.711 1.318 40 0 BDABRO C[NH+]1CCC(Oc2ccncc2N)CC1 ZINC000041018566 173000287 /nfs/dbraw/zinc/00/02/87/173000287.db2.gz KSFVEGQJCOAVBB-UHFFFAOYSA-N 1 0 207.277 1.137 40 0 BDABRO CN1CCCC[C@H]1c1nc(CCC[NH3+])no1 ZINC000218377681 173009062 /nfs/dbraw/zinc/00/90/62/173009062.db2.gz VKMHSVMCCSVXNO-VIFPVBQESA-N 1 0 224.308 1.118 40 0 BDABRO C[N@@H+]1CCC[C@@H](c2cccc(CCC(N)=O)n2)C1 ZINC000072382827 173022165 /nfs/dbraw/zinc/02/21/65/173022165.db2.gz MSRLADFHGGCKBK-LLVKDONJSA-N 1 0 247.342 1.309 40 0 BDABRO C[N@@H+]1CCC[C@H](C(=O)Nc2cccnc2)C1 ZINC000165495329 173038991 /nfs/dbraw/zinc/03/89/91/173038991.db2.gz XULVRWQNLNNTTN-JTQLQIEISA-N 1 0 219.288 1.362 40 0 BDABRO CN1C[C@@H](c2ccccc2Cl)[C@H]([NH3+])C1 ZINC000082373826 173183952 /nfs/dbraw/zinc/18/39/52/173183952.db2.gz HHFMGYILVGZFJM-GXSJLCMTSA-N 1 0 210.708 1.696 40 0 BDABRO CN1Cc2ccccc2CC2(CC[NH2+]CC2)C1=O ZINC000096243381 173201635 /nfs/dbraw/zinc/20/16/35/173201635.db2.gz FIEJDAVUAKERFC-UHFFFAOYSA-N 1 0 244.338 1.571 40 0 BDABRO CNC(=O)[C@]1(CCCc2cccnc2)CCC[NH2+]1 ZINC000072344199 173308928 /nfs/dbraw/zinc/30/89/28/173308928.db2.gz FFCSMHAZEKFJSJ-AWEZNQCLSA-N 1 0 247.342 1.273 40 0 BDABRO C[NH2+]CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000019519725 173334353 /nfs/dbraw/zinc/33/43/53/173334353.db2.gz YFECJMYXIZOOMI-UHFFFAOYSA-N 1 0 228.679 1.507 40 0 BDABRO C[NH2+]CCCNCc1cc(C)ccc1OC ZINC000095094945 173348615 /nfs/dbraw/zinc/34/86/15/173348615.db2.gz BKICDSCKHFLDIZ-UHFFFAOYSA-N 1 0 222.332 1.703 40 0 BDABRO C[NH2+]CCCc1cccc(OC)c1OC ZINC000070453269 173350450 /nfs/dbraw/zinc/35/04/50/173350450.db2.gz YNIYDUUBDZYHLV-UHFFFAOYSA-N 1 0 209.289 1.856 40 0 BDABRO C[NH2+]C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079437115 173381099 /nfs/dbraw/zinc/38/10/99/173381099.db2.gz QYFFWBSUIXIBQG-CYBMUJFWSA-N 1 0 248.326 1.865 40 0 BDABRO C[NH2+][C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257266437 173431371 /nfs/dbraw/zinc/43/13/71/173431371.db2.gz MDAAGDRULSQFGF-MGPQQGTHSA-N 1 0 235.327 1.957 40 0 BDABRO C[NH2+][C@H]1CCCN(Cc2ccc(OC)cc2)C1 ZINC000053201429 173462342 /nfs/dbraw/zinc/46/23/42/173462342.db2.gz VYSRWWOADBCCTB-ZDUSSCGKSA-N 1 0 234.343 1.879 40 0 BDABRO COCCC[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219074 174246728 /nfs/dbraw/zinc/24/67/28/174246728.db2.gz BKWKARLXRROLAY-JTQLQIEISA-N 1 0 231.336 1.590 40 0 BDABRO COCCN(CCC[NH3+])Cc1cccs1 ZINC000096523780 174291075 /nfs/dbraw/zinc/29/10/75/174291075.db2.gz UCEAOXVYNOVRIZ-UHFFFAOYSA-N 1 0 228.361 1.545 40 0 BDABRO COCC[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000072379985 174306767 /nfs/dbraw/zinc/30/67/67/174306767.db2.gz FLAJKBZWZSXKHF-GFCCVEGCSA-N 1 0 235.331 1.611 40 0 BDABRO COCC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000195566507 174385076 /nfs/dbraw/zinc/38/50/76/174385076.db2.gz PAQIWKVEZIUIDW-OUAUKWLOSA-N 1 0 228.336 1.045 40 0 BDABRO COc1cc2scnc2c(NCC[NH3+])c1 ZINC000001713465 175002209 /nfs/dbraw/zinc/00/22/09/175002209.db2.gz GMAUOUDBPQWTDE-UHFFFAOYSA-N 1 0 223.301 1.676 40 0 BDABRO COc1cc(OC)c([C@@H]2C[C@@H]2C[NH3+])c(OC)c1 ZINC000054587017 175007984 /nfs/dbraw/zinc/00/79/84/175007984.db2.gz XUNXISWRMRSWND-PSASIEDQSA-N 1 0 237.299 1.775 40 0 BDABRO COc1cc(OC)cc([C@@H](O)CC[NH3+])c1 ZINC000041225476 175011097 /nfs/dbraw/zinc/01/10/97/175011097.db2.gz JSTIMMJXDYQGQZ-NSHDSACASA-N 1 0 211.261 1.086 40 0 BDABRO COc1ccc(C(=O)NCC[NH+](C)C)cc1C ZINC000074946510 175060179 /nfs/dbraw/zinc/06/01/79/175060179.db2.gz SQOVEIJGRAVHGC-UHFFFAOYSA-N 1 0 236.315 1.295 40 0 BDABRO COc1ccc(F)c(C(N)=[NH2+])c1Cl ZINC000199754607 175124926 /nfs/dbraw/zinc/12/49/26/175124926.db2.gz PWHNSQJGWRWZDX-UHFFFAOYSA-N 1 0 202.616 1.772 40 0 BDABRO COc1ccc(OC)c(N[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000218880214 175166701 /nfs/dbraw/zinc/16/67/01/175166701.db2.gz DUQITFNAVYQLPW-QWRGUYRKSA-N 1 0 236.315 1.996 40 0 BDABRO COc1cccc(NC[C@H]2C[C@H]2C[NH3+])c1 ZINC000096509428 175278834 /nfs/dbraw/zinc/27/88/34/175278834.db2.gz AHWYKSMUPXDZLA-VHSXEESVSA-N 1 0 206.289 1.702 40 0 BDABRO COc1cccc([C@H]2C[C@H]2C[NH3+])c1OC ZINC000054586876 175296742 /nfs/dbraw/zinc/29/67/42/175296742.db2.gz UEPSALDSZBPAMV-WPRPVWTQSA-N 1 0 207.273 1.766 40 0 BDABRO COc1ccccc1OC[C@@H]1C[NH2+]CCO1 ZINC000011587411 175341624 /nfs/dbraw/zinc/34/16/24/175341624.db2.gz CHUROPRTMCQLIS-JTQLQIEISA-N 1 0 223.272 1.062 40 0 BDABRO C[C@@H](c1ccccn1)N1CCCC[C@H]1C[NH3+] ZINC000245204824 176028073 /nfs/dbraw/zinc/02/80/73/176028073.db2.gz HRJLOOKXADOPPF-RYUDHWBXSA-N 1 0 219.332 1.956 40 0 BDABRO C[C@@H](c1ccccn1)N1CCCC[C@@H]1C[NH3+] ZINC000096319960 176028259 /nfs/dbraw/zinc/02/82/59/176028259.db2.gz HRJLOOKXADOPPF-NWDGAFQWSA-N 1 0 219.332 1.956 40 0 BDABRO C[C@@H](c1nccs1)N1CCC[C@@H](O)C1 ZINC000095089043 176039748 /nfs/dbraw/zinc/03/97/48/176039748.db2.gz JOPMEOYAIBKDPT-DTWKUNHWSA-N 1 0 212.318 1.661 40 0 BDABRO C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000074920976 176091293 /nfs/dbraw/zinc/09/12/93/176091293.db2.gz TZFASWUBIWGGRN-GFCCVEGCSA-N 1 0 238.375 1.977 40 0 BDABRO C[C@@H]1CCCN(C(=O)C[C@H]2CCCC[NH2+]2)C1 ZINC000020597489 176091694 /nfs/dbraw/zinc/09/16/94/176091694.db2.gz IBOQKOXRFNFTOA-VXGBXAGGSA-N 1 0 224.348 1.777 40 0 BDABRO C[C@@H]1CN(C(=O)C2CCCCC2)CC[NH2+]1 ZINC000062570289 176243811 /nfs/dbraw/zinc/24/38/11/176243811.db2.gz IJPAPOJGMLRQDT-SNVBAGLBSA-N 1 0 210.321 1.387 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(N(C)C)cc1 ZINC000054370069 176326616 /nfs/dbraw/zinc/32/66/16/176326616.db2.gz WLQCWQZDRSPBAV-LLVKDONJSA-N 1 0 247.342 1.187 40 0 BDABRO C[C@H](C[NH2+]C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000047219089 176680957 /nfs/dbraw/zinc/68/09/57/176680957.db2.gz MDPGJIQDPHAHST-GHMZBOCLSA-N 1 0 243.347 1.733 40 0 BDABRO C[C@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000195560394 177079479 /nfs/dbraw/zinc/07/94/79/177079479.db2.gz SVLQQXIJPAJIMQ-YNEHKIRRSA-N 1 0 227.348 1.506 40 0 BDABRO C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000074920977 177091150 /nfs/dbraw/zinc/09/11/50/177091150.db2.gz TZFASWUBIWGGRN-LBPRGKRZSA-N 1 0 238.375 1.977 40 0 BDABRO C[C@H]1CCC[C@H](C(=O)N2CCCCCC2)[NH2+]1 ZINC000019425431 177128903 /nfs/dbraw/zinc/12/89/03/177128903.db2.gz PTALNMZSELWVIG-NWDGAFQWSA-N 1 0 224.348 1.920 40 0 BDABRO [NH3+]CCc1cn(-c2cccc3c2CCCC3)nn1 ZINC000158123164 487939936 /nfs/dbraw/zinc/93/99/36/487939936.db2.gz SUAGZIQJBUFMLJ-UHFFFAOYSA-N 1 0 242.326 1.647 40 0 BDABRO CCOc1nn(C)c2cc(C[NH3+])ccc21 ZINC000225772649 521626736 /nfs/dbraw/zinc/62/67/36/521626736.db2.gz GAUSCLSQFRUSAG-UHFFFAOYSA-N 1 0 205.261 1.431 40 0 BDABRO C[NH2+][C@H]1CC[C@H](N(C(C)=O)C2CC2)CC1 ZINC000242687468 522505489 /nfs/dbraw/zinc/50/54/89/522505489.db2.gz UHAFFGGCWDVZES-XYPYZODXSA-N 1 0 210.321 1.528 40 0 BDABRO Cc1ccc(NC2(C(N)=O)CC[NH2+]CC2)cc1 ZINC000002022283 525267361 /nfs/dbraw/zinc/26/73/61/525267361.db2.gz PWPGBBMWCFWLQK-UHFFFAOYSA-N 1 0 233.315 1.014 40 0 BDABRO C[NH2+][C@H]1CCCN(c2ncc(Cl)cn2)C1 ZINC000072203162 536415377 /nfs/dbraw/zinc/41/53/77/536415377.db2.gz RIGJYLWZPKJAFC-VIFPVBQESA-N 1 0 226.711 1.318 40 0 BDABRO O=C(C[NH2+]C[C@@H]1CCCO1)NC1CCCCC1 ZINC000004969089 526880318 /nfs/dbraw/zinc/88/03/18/526880318.db2.gz UBSNLLPRSGPHQP-LBPRGKRZSA-N 1 0 240.347 1.204 40 0 BDABRO C[NH+]1CCN(c2cc(N)c(Cl)cc2N)CC1 ZINC000045891236 536420195 /nfs/dbraw/zinc/42/01/95/536420195.db2.gz ODNBRLSVVOGWQV-UHFFFAOYSA-N 1 0 240.738 1.256 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH3+])[C@@H](F)C1 ZINC000169804890 566334745 /nfs/dbraw/zinc/33/47/45/566334745.db2.gz BLNPSYMDOPAVFG-JOYOIKCWSA-N 1 0 246.326 1.930 40 0 BDABRO c1cncc(O[C@H]2COCC[N@@H+](CC3CC3)C2)c1 ZINC000077265982 641841600 /nfs/dbraw/zinc/84/16/00/641841600.db2.gz VTPGDWWWBYVHPQ-CQSZACIVSA-N 1 0 248.326 1.571 40 0 biogenic,in-vitro BDABRO Cc1cc(=O)cc(C)n1-[n+]1ccccc1C ZINC000005420171 980079275 /nfs/dbraw/zinc/07/92/75/980079275.db2.gz KQPAZMVVPBLZPK-UHFFFAOYSA-N 1 0 215.276 1.372 40 0 BDABRO Clc1cccc(OC[C@H]2C[NH2+]CCO2)c1 ZINC000070834085 398140221 /nfs/dbraw/zinc/14/02/21/398140221.db2.gz QPDQOUDOOAATJB-LLVKDONJSA-N 1 0 227.691 1.707 40 0 BDABRO Cc1cc(N2CC[C@@H]([NH3+])C2)nc(C2CC2)n1 ZINC000096516988 178118348 /nfs/dbraw/zinc/11/83/48/178118348.db2.gz ULOSNYQBRUZRMV-SNVBAGLBSA-N 1 0 218.304 1.200 40 0 BDABRO CCOC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000023070826 398248764 /nfs/dbraw/zinc/24/87/64/398248764.db2.gz SENWTDDGDJSUQP-LLVKDONJSA-N 1 0 237.299 1.884 40 0 BDABRO CCOC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000023070828 398248825 /nfs/dbraw/zinc/24/88/25/398248825.db2.gz SENWTDDGDJSUQP-NSHDSACASA-N 1 0 237.299 1.884 40 0 BDABRO CO[C@@]12COC(=O)[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000066055332 398260781 /nfs/dbraw/zinc/26/07/81/398260781.db2.gz HOJNYORDDSEUCZ-OCCSQVGLSA-N 1 0 247.294 1.060 40 0 BDABRO CC[C@H]([NH2+]C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000072207608 259315348 /nfs/dbraw/zinc/31/53/48/259315348.db2.gz WIMPVGZRKLLUJS-BDAKNGLRSA-N 1 0 216.325 1.898 40 0 BDABRO CCn1ccc2ccnc(CC3C[NH2+]C3)c21 ZINC000205671793 398273666 /nfs/dbraw/zinc/27/36/66/398273666.db2.gz UTYNTRYRLQSASX-UHFFFAOYSA-N 1 0 215.300 1.818 40 0 BDABRO CC(=O)[C@@H](CC[NH+](C)C)c1ccccn1 ZINC000001675573 342708194 /nfs/dbraw/zinc/70/81/94/342708194.db2.gz PJADDLLSRBJPQK-LLVKDONJSA-N 1 0 206.289 1.706 40 0 BDABRO Nc1c[nH+]ccc1NC[C@@H](O)c1ccccc1 ZINC000001699194 342709929 /nfs/dbraw/zinc/70/99/29/342709929.db2.gz BTBAJOKMSMQTKI-CYBMUJFWSA-N 1 0 229.283 1.809 40 0 BDABRO [NH3+]Cc1cccnc1N1CCSCC1 ZINC000035719753 342758104 /nfs/dbraw/zinc/75/81/04/342758104.db2.gz ICSRQOJJNAMQSU-UHFFFAOYSA-N 1 0 209.318 1.094 40 0 BDABRO Clc1ncnc2c1C[N@H+](CC1CC1)CC2 ZINC000072221038 259319258 /nfs/dbraw/zinc/31/92/58/259319258.db2.gz JVSFLRCQCUSFSN-UHFFFAOYSA-N 1 0 223.707 1.898 40 0 BDABRO Cc1ccc[n+]([C@@H](CO)c2ccccc2)c1 ZINC000006523054 342778801 /nfs/dbraw/zinc/77/88/01/342778801.db2.gz WJJJGCWMPJDKJP-AWEZNQCLSA-N 1 0 214.288 1.864 40 0 BDABRO Cn1c2ccccc2nc1OC[C@@H]1CCC[NH2+]C1 ZINC000043220331 342790876 /nfs/dbraw/zinc/79/08/76/342790876.db2.gz TVTPDPDTFMIXFI-LLVKDONJSA-N 1 0 245.326 1.952 40 0 BDABRO COC[C@H]1C[N@H+](CC2CC2)Cc2cnn(C)c21 ZINC000096060040 398312226 /nfs/dbraw/zinc/31/22/26/398312226.db2.gz WDBXMSQOAHALNS-GFCCVEGCSA-N 1 0 235.331 1.376 40 0 BDABRO CN1c2ccccc2C[C@H](CC[NH3+])C1=O ZINC000064874332 259330224 /nfs/dbraw/zinc/33/02/24/259330224.db2.gz SDUARYUMOUSEAK-JTQLQIEISA-N 1 0 204.273 1.171 40 0 BDABRO CC(=O)N[C@@H]1CCCC[C@@H]1N(CC[NH3+])C(C)C ZINC000169676204 398342256 /nfs/dbraw/zinc/34/22/56/398342256.db2.gz CIHCWDAEEWKLMH-OLZOCXBDSA-N 1 0 241.379 1.103 40 0 BDABRO Cc1ccc2c(c1)C(=O)N[C@H](C[NH+](C)C)CO2 ZINC000019218728 342944124 /nfs/dbraw/zinc/94/41/24/342944124.db2.gz WCXYPVFDTJLISU-SNVBAGLBSA-N 1 0 234.299 1.047 40 0 BDABRO CC(C)c1ncc(C[N@@H+]2CC[C@@H](CO)C2)cn1 ZINC000019453982 342949124 /nfs/dbraw/zinc/94/91/24/342949124.db2.gz KKIRTSVRMWEFDO-LLVKDONJSA-N 1 0 235.331 1.414 40 0 BDABRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000095095611 346914631 /nfs/dbraw/zinc/91/46/31/346914631.db2.gz KZIMAPNGMGJOMM-NSHDSACASA-N 1 0 210.321 1.531 40 0 BDABRO CC[C@H](O)C[NH2+]Cc1nc(C)cs1 ZINC000038091488 343061872 /nfs/dbraw/zinc/06/18/72/343061872.db2.gz GNSVENCOMSZCSF-QMMMGPOBSA-N 1 0 200.307 1.312 40 0 BDABRO CN1C(=O)c2ccccc2[C@@]1(N)c1ccccc1 ZINC000028471878 343129713 /nfs/dbraw/zinc/12/97/13/343129713.db2.gz UFKAZIHEPKPBQF-OAHLLOKOSA-N 1 0 238.290 1.932 40 0 in-vitro BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccs1 ZINC000259739545 343138288 /nfs/dbraw/zinc/13/82/88/343138288.db2.gz RWIPGVSQZWLLSB-HTQZYQBOSA-N 1 0 211.286 1.224 40 0 BDABRO COc1ccc([C@@H](O)[C@H]2CCC[NH2+]C2)cc1 ZINC000032013936 343228046 /nfs/dbraw/zinc/22/80/46/343228046.db2.gz NREMDLGKOIBGJD-WCQYABFASA-N 1 0 221.300 1.728 40 0 BDABRO C[C@H](O)C[NH2+]CCNC/C=C/c1ccccc1 ZINC000022075258 136277959 /nfs/dbraw/zinc/27/79/59/136277959.db2.gz SXNUHEXNBZRAMU-LJLILKBBSA-N 1 0 234.343 1.260 40 0 BDABRO NN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000034963082 343281901 /nfs/dbraw/zinc/28/19/01/343281901.db2.gz BXWRQAZUWGDOSR-GFCCVEGCSA-N 1 0 205.305 1.114 40 0 BDABRO Cc1ccccc1CN(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000036134850 343302774 /nfs/dbraw/zinc/30/27/74/343302774.db2.gz UHKHPOAUYUKVTI-ZDUSSCGKSA-N 1 0 234.343 1.937 40 0 BDABRO COC(=O)C[C@H](C)[NH2+]CCc1ccccc1 ZINC000035748252 343303512 /nfs/dbraw/zinc/30/35/12/343303512.db2.gz IAXUABQEBZQZRK-NSHDSACASA-N 1 0 221.300 1.770 40 0 BDABRO COC(=O)C[C@@H](C)[NH2+]Cc1cccs1 ZINC000035749241 343303891 /nfs/dbraw/zinc/30/38/91/343303891.db2.gz UDWMYASFVDNWLR-MRVPVSSYSA-N 1 0 213.302 1.789 40 0 BDABRO COC(=O)C[C@H](C)[NH2+]Cc1cccnc1 ZINC000035748685 343303957 /nfs/dbraw/zinc/30/39/57/343303957.db2.gz QEDOCTQYQYECEV-VIFPVBQESA-N 1 0 208.261 1.123 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1cccnc1 ZINC000036771594 343304890 /nfs/dbraw/zinc/30/48/90/343304890.db2.gz NKUXETZYAQSAGR-NSHDSACASA-N 1 0 221.304 1.023 40 0 BDABRO [NH3+][C@@H](CO)c1cc(Br)ccc1F ZINC000038124655 343316652 /nfs/dbraw/zinc/31/66/52/343316652.db2.gz OLKKWVPTLKNLTP-QMMMGPOBSA-N 1 0 234.068 1.580 40 0 BDABRO CC(C)(C)OC(=O)NOCCCC[NH3+] ZINC000039093267 343381922 /nfs/dbraw/zinc/38/19/22/343381922.db2.gz ULZGCGDOIRDAKD-UHFFFAOYSA-N 1 0 204.270 1.182 40 0 BDABRO C[C@H](CN1CC[NH2+]CC1)c1ccccc1 ZINC000040240931 343398891 /nfs/dbraw/zinc/39/88/91/343398891.db2.gz UTXHKQAZYGRDBA-GFCCVEGCSA-N 1 0 204.317 1.695 40 0 BDABRO Cn1cc[n+](C(F)(F)[C@@H](O)c2ccccc2)c1 ZINC000043879526 343486297 /nfs/dbraw/zinc/48/62/97/343486297.db2.gz BEQYYYOUEWECEK-NSHDSACASA-N 1 0 239.245 1.596 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH3+])[C@H](F)C1 ZINC000217552958 343588986 /nfs/dbraw/zinc/58/89/86/343588986.db2.gz JEOYTRTYHMXANL-NXEZZACHSA-N 1 0 246.326 1.930 40 0 BDABRO Cc1ccc(CN2CC[NH2+][C@H](C)C2)cc1 ZINC000071509114 178576777 /nfs/dbraw/zinc/57/67/77/178576777.db2.gz ZZOJKEPWSUKPEU-GFCCVEGCSA-N 1 0 204.317 1.789 40 0 BDABRO C1C[C@H]2[C@]3(C1)C[NH2+]C[C@]23N1CCCCC1 ZINC000096509126 343754987 /nfs/dbraw/zinc/75/49/87/343754987.db2.gz IWXSHYOAUPKULC-AVGNSLFASA-N 1 0 206.333 1.614 40 0 BDABRO CC[C@@H]([C@@H]([NH3+])C(C)(C)C)S(=O)(=O)CC ZINC000096524988 343759563 /nfs/dbraw/zinc/75/95/63/343759563.db2.gz LTGLMVZZOWMPKI-DTWKUNHWSA-N 1 0 221.366 1.573 40 0 BDABRO CCc1nc(N)cc(C2CC[NH2+]CC2)n1 ZINC000096529242 343760437 /nfs/dbraw/zinc/76/04/37/343760437.db2.gz BPOPKECIYYGSKS-UHFFFAOYSA-N 1 0 206.293 1.088 40 0 BDABRO C[NH2+]Cc1cnn(CCOCc2ccccc2)c1 ZINC000390743130 343810155 /nfs/dbraw/zinc/81/01/55/343810155.db2.gz NLIYCJUNDUAZQB-UHFFFAOYSA-N 1 0 245.326 1.819 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1sccc1C ZINC000396830342 343810785 /nfs/dbraw/zinc/81/07/85/343810785.db2.gz RHBJKDNSPWPFRO-RKDXNWHRSA-N 1 0 225.313 1.533 40 0 BDABRO CCOc1ccccc1[C@@H]1C[NH2+]C[C@@H]1N ZINC000396828553 343810919 /nfs/dbraw/zinc/81/09/19/343810919.db2.gz OXGKTTPGTUEUOF-QWRGUYRKSA-N 1 0 206.289 1.099 40 0 BDABRO CCc1ccc([C@@H]2C[NH2+]C[C@H]2CO)cc1 ZINC000397000907 343811113 /nfs/dbraw/zinc/81/11/13/343811113.db2.gz MWKRFEBDXWBWTE-STQMWFEESA-N 1 0 205.301 1.544 40 0 BDABRO [NH3+]CCCc1cnn(CC2CCOCC2)c1 ZINC000575623543 343876801 /nfs/dbraw/zinc/87/68/01/343876801.db2.gz YYCDRZGQWJSRSY-UHFFFAOYSA-N 1 0 223.320 1.201 40 0 BDABRO Cc1noc(C)c1Cn1cc(CCC[NH3+])cn1 ZINC000575623278 343875451 /nfs/dbraw/zinc/87/54/51/343875451.db2.gz DWUPNPANNSDPJN-UHFFFAOYSA-N 1 0 234.303 1.428 40 0 BDABRO CC(C)(C)OCCn1cc(CCC[NH3+])cn1 ZINC000575623343 343875480 /nfs/dbraw/zinc/87/54/80/343875480.db2.gz LICRMTWENSUAJT-UHFFFAOYSA-N 1 0 225.336 1.590 40 0 BDABRO CO[C@H]1C[NH2+]CC[C@@H]1Cc1ccccc1 ZINC000221533126 347021884 /nfs/dbraw/zinc/02/18/84/347021884.db2.gz VWUJSEKMXRFJAM-OLZOCXBDSA-N 1 0 205.301 1.854 40 0 BDABRO CCN(CC)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000019488211 347019619 /nfs/dbraw/zinc/01/96/19/347019619.db2.gz LQNULIWVTOWQOS-GFCCVEGCSA-N 1 0 220.316 1.945 40 0 BDABRO CCC[NH2+][C@H](C)C(=O)c1ccc2c(c1)OCO2 ZINC000213999084 344062354 /nfs/dbraw/zinc/06/23/54/344062354.db2.gz YFVKHKCZBSGZPE-SECBINFHSA-N 1 0 235.283 1.986 40 0 in-vitro BDABRO O=C1C[N@H+](Cc2ccccc2)CCCN1 ZINC000039193234 344087716 /nfs/dbraw/zinc/08/77/16/344087716.db2.gz YHCGNYXQOQMCLW-UHFFFAOYSA-N 1 0 204.273 1.009 40 0 BDABRO c1cc2n(n1)[C@H](COc1ccccn1)C[NH2+]C2 ZINC000585112358 344136808 /nfs/dbraw/zinc/13/68/08/344136808.db2.gz OUUQVXWWETZWMD-NSHDSACASA-N 1 0 230.271 1.001 40 0 BDABRO CCN1c2ccccc2C2(CC[NH2+]CC2)C1=O ZINC000103462685 344446506 /nfs/dbraw/zinc/44/65/06/344446506.db2.gz FBFGJHYGTQVKPW-UHFFFAOYSA-N 1 0 230.311 1.674 40 0 BDABRO CC(C)C[N@H+](C(C)C)[C@@H]1CNCC[C@@]1(C)O ZINC000300919538 537868770 /nfs/dbraw/zinc/86/87/70/537868770.db2.gz UBSCCVCQHXEPTB-CHWSQXEVSA-N 1 0 228.380 1.466 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000229205873 345447979 /nfs/dbraw/zinc/44/79/79/345447979.db2.gz OTUWIMKVPNIHSG-MNOVXSKESA-N 1 0 211.305 1.575 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1F ZINC000067173312 345716224 /nfs/dbraw/zinc/71/62/24/345716224.db2.gz PHKQMBKXMIDZOI-NXEZZACHSA-N 1 0 223.247 1.302 40 0 BDABRO CCSc1nnc([C@@H]2CCC[NH2+]C2)n1C ZINC000005000657 346256314 /nfs/dbraw/zinc/25/63/14/346256314.db2.gz ZDFYXTPMEGJUDG-MRVPVSSYSA-N 1 0 226.349 1.394 40 0 BDABRO Cc1cccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]32)c1 ZINC000096186190 179080941 /nfs/dbraw/zinc/08/09/41/179080941.db2.gz WHIREDCXKRHTAY-KGLIPLIRSA-N 1 0 244.338 1.848 40 0 BDABRO Cc1cccc(CN2C[C@@H]3C[NH2+]C[C@@H]3C2=O)c1 ZINC000096245385 179083591 /nfs/dbraw/zinc/08/35/91/179083591.db2.gz KFVWYJAGDICFGL-STQMWFEESA-N 1 0 230.311 1.173 40 0 BDABRO Cc1cccc(Cn2cnc(C[NH3+])c2)c1 ZINC000071508257 179110031 /nfs/dbraw/zinc/11/00/31/179110031.db2.gz MQKKCIYROFCDGP-UHFFFAOYSA-N 1 0 201.273 1.699 40 0 BDABRO CC(C)N(C)[C@H]1CCCC[C@H]1[NH2+]CCO ZINC000101676555 347287426 /nfs/dbraw/zinc/28/74/26/347287426.db2.gz BKJJZGNQAKTVIZ-NEPJUHHUSA-N 1 0 214.353 1.220 40 0 BDABRO Cc1cccc([C@H]([NH3+])[C@@H](C)S(C)(=O)=O)c1 ZINC000096524799 179200832 /nfs/dbraw/zinc/20/08/32/179200832.db2.gz DTDYLUSMEZVZIM-MWLCHTKSSA-N 1 0 227.329 1.428 40 0 BDABRO Cc1ccccc1-c1nc(SCC[NH3+])n[nH]1 ZINC000224979775 179240028 /nfs/dbraw/zinc/24/00/28/179240028.db2.gz BCXWRWGZZJBNFW-UHFFFAOYSA-N 1 0 234.328 1.831 40 0 BDABRO Cc1ccccc1C(=O)N1C[C@@H]2[C@H](C[NH3+])[C@@H]2C1 ZINC000248160868 179248293 /nfs/dbraw/zinc/24/82/93/179248293.db2.gz ORYNLGHNJVTJLB-CLLJXQQHSA-N 1 0 230.311 1.272 40 0 BDABRO Cc1ccccc1CN1CC[NH2+]C[C@@H]1C ZINC000041213199 179274448 /nfs/dbraw/zinc/27/44/48/179274448.db2.gz PYMOQJAVNRHYNW-LBPRGKRZSA-N 1 0 204.317 1.789 40 0 BDABRO Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082305388 179279457 /nfs/dbraw/zinc/27/94/57/179279457.db2.gz CGPZDSFUJBHKIA-AWEZNQCLSA-N 1 0 246.354 1.953 40 0 BDABRO c1cc(C[C@H]2COC3(C2)CC[NH2+]CC3)ccn1 ZINC000205674830 348571918 /nfs/dbraw/zinc/57/19/18/348571918.db2.gz MFOLIGOOXGWYAO-CYBMUJFWSA-N 1 0 232.327 1.783 40 0 BDABRO Nc1cccc(C[C@@H]2COC3(C2)CC[NH2+]CC3)n1 ZINC000205681076 348573496 /nfs/dbraw/zinc/57/34/96/348573496.db2.gz LHNLTNNRVNIAFW-NSHDSACASA-N 1 0 247.342 1.365 40 0 BDABRO Clc1nccc(NCC[NH+]2CCCC2)n1 ZINC000038579687 348714264 /nfs/dbraw/zinc/71/42/64/348714264.db2.gz OAOXEBZBJKJSSJ-UHFFFAOYSA-N 1 0 226.711 1.638 40 0 BDABRO Cc1nc(NN)[nH+]c(C)c1Br ZINC000026459782 259405957 /nfs/dbraw/zinc/40/59/57/259405957.db2.gz LCCRRIBWDLFHSR-UHFFFAOYSA-N 1 0 217.070 1.142 40 0 BDABRO CC[C@@H](C)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062717804 259408225 /nfs/dbraw/zinc/40/82/25/259408225.db2.gz FODNDJFTXBHITF-LLVKDONJSA-N 1 0 234.347 1.965 40 0 BDABRO COC(=O)CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000022538782 350113662 /nfs/dbraw/zinc/11/36/62/350113662.db2.gz RWFHGQXTRZOVHY-QWRGUYRKSA-N 1 0 213.321 1.918 40 0 BDABRO Cc1nc([C@H]2C[NH2+]C[C@H]2c2ccccc2)no1 ZINC000328579454 180057421 /nfs/dbraw/zinc/05/74/21/180057421.db2.gz JNGSNVZSUWUWMM-RYUDHWBXSA-N 1 0 229.283 1.849 40 0 BDABRO Cc1nc([C@H]2C[NH2+]CC23CCCC3)no1 ZINC000328579469 180058415 /nfs/dbraw/zinc/05/84/15/180058415.db2.gz KEBOLWRVYUICBQ-SECBINFHSA-N 1 0 207.277 1.625 40 0 BDABRO [NH3+][C@H](CO)c1ccc(F)c(Br)c1 ZINC000038124658 350307313 /nfs/dbraw/zinc/30/73/13/350307313.db2.gz ZPXDVXWASIRRFV-MRVPVSSYSA-N 1 0 234.068 1.580 40 0 BDABRO CN(C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363707 350476322 /nfs/dbraw/zinc/47/63/22/350476322.db2.gz ZCEQUXCLMBTVIP-NSHDSACASA-N 1 0 206.289 1.183 40 0 BDABRO Cc1c(F)cccc1CN1CC[C@H]([NH3+])C1 ZINC000038538753 362959606 /nfs/dbraw/zinc/95/96/06/362959606.db2.gz LBFCVGIBSUPAFG-NSHDSACASA-N 1 0 208.280 1.667 40 0 BDABRO c1nc(NC2CC2)cc(OC2CC[NH2+]CC2)n1 ZINC000044029923 352131032 /nfs/dbraw/zinc/13/10/32/352131032.db2.gz LTDADSGDZPYWIN-UHFFFAOYSA-N 1 0 234.303 1.182 40 0 BDABRO C1CC([N@@H+]2CCCNCC2)CCS1 ZINC000042335288 352626997 /nfs/dbraw/zinc/62/69/97/352626997.db2.gz DFJCBZNQKRSIET-UHFFFAOYSA-N 1 0 200.351 1.177 40 0 BDABRO COc1ccc(C[NH+]2C[C@@H](C)N(N)[C@H](C)C2)cc1 ZINC000019167599 188280944 /nfs/dbraw/zinc/28/09/44/188280944.db2.gz RGRJYOKQNWGSAD-VXGBXAGGSA-N 1 0 249.358 1.464 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccccn1 ZINC000036778351 188286079 /nfs/dbraw/zinc/28/60/79/188286079.db2.gz LRCAOPDMAWJEPL-NSHDSACASA-N 1 0 221.304 1.023 40 0 BDABRO CC(C)N(Cc1ccc(F)cc1)C(=O)[C@H](C)[NH3+] ZINC000079420312 188291331 /nfs/dbraw/zinc/29/13/31/188291331.db2.gz BOXFSTFQGMTKEF-JTQLQIEISA-N 1 0 238.306 1.910 40 0 BDABRO CC(C)[N@H+](CCO)C[C@H]1CCCCN1C ZINC000079406055 188291788 /nfs/dbraw/zinc/29/17/88/188291788.db2.gz XUSMDMPSVODSDB-GFCCVEGCSA-N 1 0 214.353 1.173 40 0 BDABRO CC(C)[N@H+](CCO)C[C@H]1CCCN(C)C1 ZINC000079406064 188291944 /nfs/dbraw/zinc/29/19/44/188291944.db2.gz IAWBPFTVCDODPO-LBPRGKRZSA-N 1 0 214.353 1.031 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000040804300 188292761 /nfs/dbraw/zinc/29/27/61/188292761.db2.gz CCXNJSCYNHHUQK-SKDRFNHKSA-N 1 0 238.306 1.986 40 0 BDABRO C1CC(c2nnc(C3CC[NH2+]CC3)o2)C1 ZINC000083345133 188295113 /nfs/dbraw/zinc/29/51/13/188295113.db2.gz LJBTWINWQZGUAB-UHFFFAOYSA-N 1 0 207.277 1.804 40 0 BDABRO COc1ccc(CNC2CC[NH2+]CC2)cc1F ZINC000067802662 188304593 /nfs/dbraw/zinc/30/45/93/188304593.db2.gz NZQYOTZLNYTRSV-UHFFFAOYSA-N 1 0 238.306 1.676 40 0 BDABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]12 ZINC000096251842 188321089 /nfs/dbraw/zinc/32/10/89/188321089.db2.gz WCQJCPQKOYWKJR-CABCVRRESA-N 1 0 244.338 1.539 40 0 BDABRO CC(C)N1CCO[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000096054288 188321398 /nfs/dbraw/zinc/32/13/98/188321398.db2.gz QQQHWMQFCOZWQW-OLZOCXBDSA-N 1 0 224.348 1.190 40 0 BDABRO Cc1ccc(C(=O)N2C[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000096054060 188321571 /nfs/dbraw/zinc/32/15/71/188321571.db2.gz QPAYCJCPALCYQB-OLZOCXBDSA-N 1 0 230.311 1.429 40 0 BDABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]12 ZINC000096251840 188321753 /nfs/dbraw/zinc/32/17/53/188321753.db2.gz WCQJCPQKOYWKJR-GJZGRUSLSA-N 1 0 244.338 1.539 40 0 BDABRO CCC[n+]1cccc(-c2nn3cnnc3s2)c1 ZINC000226774167 188331443 /nfs/dbraw/zinc/33/14/43/188331443.db2.gz NVDVUFLSHZWSBR-UHFFFAOYSA-N 1 0 246.319 1.550 40 0 BDABRO C1CC(c2nc([C@H]3CCC[NH2+]C3)no2)C1 ZINC000062257232 188360274 /nfs/dbraw/zinc/36/02/74/188360274.db2.gz FCSVHMUMDBTIFO-VIFPVBQESA-N 1 0 207.277 1.804 40 0 BDABRO C(O[C@H]1COC2(C1)CC[NH2+]CC2)C1CC1 ZINC000066346541 188363161 /nfs/dbraw/zinc/36/31/61/188363161.db2.gz CNCCLEISDPQKCF-LLVKDONJSA-N 1 0 211.305 1.324 40 0 BDABRO CC(C)COC[C@@H]1C[NH2+]Cc2ncn(C)c21 ZINC000306142345 188399170 /nfs/dbraw/zinc/39/91/70/188399170.db2.gz WWKNHYNZVVYIQH-JTQLQIEISA-N 1 0 223.320 1.280 40 0 BDABRO CC[NH+]1CCC(NCC(F)(F)F)CC1 ZINC000019477785 356424453 /nfs/dbraw/zinc/42/44/53/356424453.db2.gz GDFKUTJASUAJPL-UHFFFAOYSA-N 1 0 210.243 1.623 40 0 BDABRO NC(=O)[C@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000037460193 181277522 /nfs/dbraw/zinc/27/75/22/181277522.db2.gz UQOBZSOOFOMTEU-SSDOTTSWSA-N 1 0 234.177 1.070 40 0 BDABRO Cc1ccc(NC(=O)NC2CC[NH2+]CC2)cc1 ZINC000004935140 357337674 /nfs/dbraw/zinc/33/76/74/357337674.db2.gz PXVGGIQBHKACFZ-UHFFFAOYSA-N 1 0 233.315 1.869 40 0 BDABRO CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)C1 ZINC000040457855 358670413 /nfs/dbraw/zinc/67/04/13/358670413.db2.gz SBQDBDHESJQRNU-ZJUUUORDSA-N 1 0 230.377 1.325 40 0 BDABRO Cc1cc(N(C)C)ncc1[C@@H]1CCC[NH2+]1 ZINC000072218662 259529804 /nfs/dbraw/zinc/52/98/04/259529804.db2.gz QIRDENZDHORJOJ-NSHDSACASA-N 1 0 205.305 1.881 40 0 BDABRO [NH3+]CCOCc1ccc(OC(F)F)cc1 ZINC000089263507 181399531 /nfs/dbraw/zinc/39/95/31/181399531.db2.gz NRKGBGJWQFEMJM-UHFFFAOYSA-N 1 0 217.215 1.763 40 0 BDABRO CCOc1ccccc1C[C@@H](C[NH3+])CO ZINC000011978521 370806067 /nfs/dbraw/zinc/80/60/67/370806067.db2.gz NLJBZQZPTCQYMH-JTQLQIEISA-N 1 0 209.289 1.195 40 0 BDABRO Cn1c2ccccc2nc1[C@@H]1CC[NH2+]C1 ZINC000062119352 369970847 /nfs/dbraw/zinc/97/08/47/369970847.db2.gz CKSXZUWFZSESJG-SECBINFHSA-N 1 0 201.273 1.650 40 0 BDABRO C[N@@H+]1CCC[C@@H]1c1cnc(-c2ncc[nH]2)cn1 ZINC000205693942 369997639 /nfs/dbraw/zinc/99/76/39/369997639.db2.gz MFHYLOVUSJCDLB-LLVKDONJSA-N 1 0 229.287 1.633 40 0 BDABRO c1cc2cc(C[C@@H]3C[NH2+]CCOC3)ccc2[nH]1 ZINC000205703284 369997875 /nfs/dbraw/zinc/99/78/75/369997875.db2.gz IHZGCOJGIKLUAV-GFCCVEGCSA-N 1 0 230.311 1.946 40 0 BDABRO [NH3+]Cc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000096510452 181502537 /nfs/dbraw/zinc/50/25/37/181502537.db2.gz VWSAPUGGJNTCNJ-UHFFFAOYSA-N 1 0 216.166 1.435 40 0 BDABRO C[NH2+][C@@H](C)Cc1cc2c(c(OC)c1)OCO2 ZINC000118698007 371053460 /nfs/dbraw/zinc/05/34/60/371053460.db2.gz XEULPLUJSUSGMX-QMMMGPOBSA-N 1 0 223.272 1.574 40 0 in-vitro BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2)CC1 ZINC000100809937 181590622 /nfs/dbraw/zinc/59/06/22/181590622.db2.gz OCVGSWDIPVHRLV-TXEJJXNPSA-N 1 0 218.300 1.686 40 0 BDABRO [NH3+][C@H]1CCN(c2nccn3nc(C4CC4)cc23)C1 ZINC000096516395 181653067 /nfs/dbraw/zinc/65/30/67/181653067.db2.gz TXIVNLLSARLXEE-JTQLQIEISA-N 1 0 243.314 1.144 40 0 BDABRO O=C(Cc1ccc(F)cc1)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096054070 182035665 /nfs/dbraw/zinc/03/56/65/182035665.db2.gz YIZBTJMPUURJPL-YPMHNXCESA-N 1 0 248.301 1.189 40 0 BDABRO O=C(N[C@@H]1CCC[NH2+]C1)c1cccnc1Cl ZINC000079438978 182295175 /nfs/dbraw/zinc/29/51/75/182295175.db2.gz UIAZELJNOZYLEX-MRVPVSSYSA-N 1 0 239.706 1.217 40 0 BDABRO O=C(N[C@H]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccco1 ZINC000107746041 182316737 /nfs/dbraw/zinc/31/67/37/182316737.db2.gz OETUXYYXKKXQRL-ILWJIGKKSA-N 1 0 220.272 1.007 40 0 BDABRO O=C1N(CC2CCCC2)CCC12CC[NH2+]CC2 ZINC000306134846 182789436 /nfs/dbraw/zinc/78/94/36/182789436.db2.gz NZQAQUIYSIPBSQ-UHFFFAOYSA-N 1 0 236.359 1.779 40 0 BDABRO OCCCN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000096452061 183057578 /nfs/dbraw/zinc/05/75/78/183057578.db2.gz UZOSDLIXRVFDFT-MJBXVCDLSA-N 1 0 238.375 1.175 40 0 BDABRO OCC[NH2+]Cc1nccc2ccccc21 ZINC000079422036 183079816 /nfs/dbraw/zinc/07/98/16/183079816.db2.gz NWHCPPIEVAEFRD-UHFFFAOYSA-N 1 0 202.257 1.317 40 0 BDABRO OC[C@]1(c2ccccc2)CCC[NH2+]CC1 ZINC000005698945 183159718 /nfs/dbraw/zinc/15/97/18/183159718.db2.gz RICGNGUTQWPGLV-ZDUSSCGKSA-N 1 0 205.301 1.690 40 0 BDABRO OCc1cc([C@@H]2CCC[N@@H+]2CC2CC2)[nH]n1 ZINC000072350804 183161745 /nfs/dbraw/zinc/16/17/45/183161745.db2.gz IEKHMWOMMROBBU-LBPRGKRZSA-N 1 0 221.304 1.449 40 0 BDABRO O[C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC000036075379 183229178 /nfs/dbraw/zinc/22/91/78/183229178.db2.gz JSMWTFXOWGPUKR-LBPRGKRZSA-N 1 0 209.264 1.859 40 0 BDABRO c1c2c(nn1C1CCOCC1)C[C@@H]1CC[C@H]2[NH2+]1 ZINC000096510258 183323744 /nfs/dbraw/zinc/32/37/44/183323744.db2.gz MHOCOXZBRWOYKQ-JOYOIKCWSA-N 1 0 233.315 1.584 40 0 BDABRO c1cc(-c2noc([C@@H]3CC[NH2+]C3)n2)ccn1 ZINC000062119520 183333408 /nfs/dbraw/zinc/33/34/08/183333408.db2.gz ASEGOMPSKMWUQT-SECBINFHSA-N 1 0 216.244 1.209 40 0 BDABRO c1cc(-c2nc(CC3CC[NH2+]CC3)no2)ccn1 ZINC000096511437 183331044 /nfs/dbraw/zinc/33/10/44/183331044.db2.gz ZUIXNYDZIKKEJL-UHFFFAOYSA-N 1 0 244.298 1.674 40 0 BDABRO c1ccc(CCOC2CC3(C[NH2+]C3)C2)cc1 ZINC000096509106 183395061 /nfs/dbraw/zinc/39/50/61/183395061.db2.gz PLOCDUPBTQHMEP-UHFFFAOYSA-N 1 0 217.312 1.998 40 0 BDABRO CCCOc1ccc(C)cc1C[NH2+]CCO ZINC000095094934 169317645 /nfs/dbraw/zinc/31/76/45/169317645.db2.gz QRFKQTYTOLJUIR-UHFFFAOYSA-N 1 0 223.316 1.866 40 0 BDABRO CCCOc1ccc([C@@](C)(O)C[NH3+])cc1 ZINC000032012246 169321892 /nfs/dbraw/zinc/32/18/92/169321892.db2.gz GYAJGSNELNUTES-LBPRGKRZSA-N 1 0 209.289 1.642 40 0 BDABRO CCCOc1ccc([C@H](O)CC[NH3+])cc1 ZINC000071511764 169322312 /nfs/dbraw/zinc/32/23/12/169322312.db2.gz QNSHAKCBVNRPQH-GFCCVEGCSA-N 1 0 209.289 1.858 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@H]2[NH3+] ZINC000091679238 166657934 /nfs/dbraw/zinc/65/79/34/166657934.db2.gz HGLKMYOTFGKEDG-IWSPIJDZSA-N 1 0 212.293 1.343 40 0 BDABRO [NH3+]C[C@@H]1OC(=O)C(Oc2ccccc2)=C1Cl ZINC000035181683 383837977 /nfs/dbraw/zinc/83/79/77/383837977.db2.gz DDATWHOFTFMXER-QMMMGPOBSA-N 1 0 239.658 1.400 40 0 BDABRO c1cn(-c2cccc([C@H]3CCC[NH2+]3)n2)cn1 ZINC000072355928 383839707 /nfs/dbraw/zinc/83/97/07/383839707.db2.gz ARJGYTMYIJXZQW-SNVBAGLBSA-N 1 0 214.272 1.692 40 0 BDABRO CCCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000037850539 384027052 /nfs/dbraw/zinc/02/70/52/384027052.db2.gz NIFVWGHPKASJEV-LLVKDONJSA-N 1 0 227.304 1.547 40 0 BDABRO O=C1OCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000004203323 384044751 /nfs/dbraw/zinc/04/47/51/384044751.db2.gz XLCRTPSFIQQHEF-CHWSQXEVSA-N 1 0 231.295 1.682 40 0 BDABRO N[C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000035677030 384088854 /nfs/dbraw/zinc/08/88/54/384088854.db2.gz HSMPCGOCWQZZEB-QMMMGPOBSA-N 1 0 220.194 1.544 40 0 BDABRO N[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000035677053 384089223 /nfs/dbraw/zinc/08/92/23/384089223.db2.gz GGKNULBCXWRZNY-MRVPVSSYSA-N 1 0 233.084 1.547 40 0 BDABRO OCC[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000079393477 384134331 /nfs/dbraw/zinc/13/43/31/384134331.db2.gz PKTIFHATFXDHRS-HNNXBMFYSA-N 1 0 248.370 1.623 40 0 BDABRO Cc1[nH+]ccc(N)c1I ZINC000071255419 384152683 /nfs/dbraw/zinc/15/26/83/384152683.db2.gz QXLNGQDQSRPWMI-UHFFFAOYSA-N 1 0 234.040 1.577 40 0 BDABRO Fc1cc(F)c(CN2CCC[NH2+]CC2)cc1F ZINC000071978884 384191841 /nfs/dbraw/zinc/19/18/41/384191841.db2.gz GZDTYPNSHGJKNH-UHFFFAOYSA-N 1 0 244.260 1.899 40 0 BDABRO c1cn(-c2cncc(C3CC[NH2+]CC3)n2)cn1 ZINC000072344152 384208760 /nfs/dbraw/zinc/20/87/60/384208760.db2.gz MZJVCFVYUOHKNB-UHFFFAOYSA-N 1 0 229.287 1.129 40 0 BDABRO Nc1cc(-c2c[nH]nc2[C@H]2CCCC[NH2+]2)ccn1 ZINC000072357468 384213139 /nfs/dbraw/zinc/21/31/39/384213139.db2.gz TUKIJXZFYKWPCV-LLVKDONJSA-N 1 0 243.314 1.869 40 0 BDABRO CC(C)c1ncc(C[N@@H+]2CCC[C@@H](CO)C2)cn1 ZINC000072397875 384221160 /nfs/dbraw/zinc/22/11/60/384221160.db2.gz FNGFLGZHJBZYIT-GFCCVEGCSA-N 1 0 249.358 1.804 40 0 BDABRO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2N1 ZINC000072398473 384221382 /nfs/dbraw/zinc/22/13/82/384221382.db2.gz GJKKQZRBXZTOFB-CHWSQXEVSA-N 1 0 230.311 1.397 40 0 BDABRO C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000074920892 384311169 /nfs/dbraw/zinc/31/11/69/384311169.db2.gz QYHUHZFHMNSORZ-UHFFFAOYSA-N 1 0 210.321 1.341 40 0 BDABRO CC(C)[N@H+](C)[C@H]1CC[C@H]([NH2+]CC(=O)[O-])CC1 ZINC000100177981 384284085 /nfs/dbraw/zinc/28/40/85/384284085.db2.gz ACCKOIBVQPZXOE-PHIMTYICSA-N 1 0 228.336 1.312 40 0 BDABRO CC[N@H+](CC(=O)[O-])C1CCC([NH+](C)C)CC1 ZINC000083318551 384285987 /nfs/dbraw/zinc/28/59/87/384285987.db2.gz CLXOCZUNMRRRHZ-UHFFFAOYSA-N 1 0 228.336 1.266 40 0 BDABRO Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000074707315 384300670 /nfs/dbraw/zinc/30/06/70/384300670.db2.gz BQGAKWJNVXNCFF-UHFFFAOYSA-N 1 0 246.354 1.953 40 0 BDABRO C[NH+](C)CCNC(=O)/C=C/c1ccc(F)cc1 ZINC000013668659 384369521 /nfs/dbraw/zinc/36/95/21/384369521.db2.gz HYGIGYXACBTKPM-VMPITWQZSA-N 1 0 236.290 1.517 40 0 BDABRO C[C@H](C1CC1)n1[n-]c2c(c1=O)CC[NH2+]C2 ZINC000110751842 384410104 /nfs/dbraw/zinc/41/01/04/384410104.db2.gz UQGHYBLHVUFZRP-SSDOTTSWSA-N 1 0 207.277 1.205 40 0 BDABRO [NH3+][C@]12C[C@H]1CN(Cc1ccc(Cl)cc1)C2 ZINC000096054894 384429297 /nfs/dbraw/zinc/42/92/97/384429297.db2.gz JPHUSGKNGDHGDL-JQWIXIFHSA-N 1 0 222.719 1.873 40 0 BDABRO c1ncc([C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000096073486 384431529 /nfs/dbraw/zinc/43/15/29/384431529.db2.gz RSQCPJYHNUVXBA-ZYHUDNBSSA-N 1 0 219.288 1.103 40 0 BDABRO O=C(c1ccncc1)N1CC[C@]12CCC[NH2+]C2 ZINC000096078024 384431761 /nfs/dbraw/zinc/43/17/61/384431761.db2.gz KJPKRKKECMTOSP-ZDUSSCGKSA-N 1 0 231.299 1.050 40 0 BDABRO [NH3+][C@]12C[C@H]1CN(CCc1ccccc1)C2 ZINC000096082178 384435513 /nfs/dbraw/zinc/43/55/13/384435513.db2.gz NKGDBPKVSONMNG-STQMWFEESA-N 1 0 202.301 1.262 40 0 BDABRO CCCCCNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000096629256 384468672 /nfs/dbraw/zinc/46/86/72/384468672.db2.gz KXAYEDOMGKAMED-LLVKDONJSA-N 1 0 212.337 1.635 40 0 BDABRO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(CCO)C1 ZINC000079414121 384496859 /nfs/dbraw/zinc/49/68/59/384496859.db2.gz CUNBLCVPFGTCRK-OAHLLOKOSA-N 1 0 248.370 1.575 40 0 BDABRO C[C@](C[NH3+])(c1cccs1)N1CCOCC1 ZINC000070453220 384562736 /nfs/dbraw/zinc/56/27/36/384562736.db2.gz VWHQKSNWEWIICM-NSHDSACASA-N 1 0 226.345 1.254 40 0 BDABRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C[NH3+] ZINC000098210107 384603568 /nfs/dbraw/zinc/60/35/68/384603568.db2.gz KSBAPSGBYKCXOJ-MRVPVSSYSA-N 1 0 214.309 1.591 40 0 BDABRO O=C1NCc2ccccc2CC12CC[NH2+]CC2 ZINC000306133860 384668603 /nfs/dbraw/zinc/66/86/03/384668603.db2.gz MXZLUMHZBQEKKN-UHFFFAOYSA-N 1 0 230.311 1.229 40 0 BDABRO CC(C)Cc1noc(C2CC[NH2+]CC2)n1 ZINC000021510376 384669821 /nfs/dbraw/zinc/66/98/21/384669821.db2.gz ROTNJIVILDXMLF-UHFFFAOYSA-N 1 0 209.293 1.735 40 0 BDABRO CS(=O)(=O)c1ccc(C2([NH3+])CC2)cc1 ZINC000082373356 384674312 /nfs/dbraw/zinc/67/43/12/384674312.db2.gz VMIRVFOWEKTRJF-UHFFFAOYSA-N 1 0 211.286 1.038 40 0 BDABRO C[NH+]1CCN(c2ccc3[nH]ccc3c2)CC1 ZINC000082713133 384703927 /nfs/dbraw/zinc/70/39/27/384703927.db2.gz QCBUZBCDMSMRJZ-UHFFFAOYSA-N 1 0 215.300 1.920 40 0 BDABRO c1ccc2oc(N[C@H]3CC[NH2+]C3)nc2c1 ZINC000052093987 384716144 /nfs/dbraw/zinc/71/61/44/384716144.db2.gz VYQYAZCMWKTVCW-QMMMGPOBSA-N 1 0 203.245 1.602 40 0 BDABRO Cc1noc(C)c1[C@@H]1CCCN1CC[NH3+] ZINC000022763033 384773907 /nfs/dbraw/zinc/77/39/07/384773907.db2.gz XLOVCVALEQYLTK-JTQLQIEISA-N 1 0 209.293 1.387 40 0 BDABRO COc1c(C)c(C)ccc1C[NH2+]CCCO ZINC000095094887 384956364 /nfs/dbraw/zinc/95/63/64/384956364.db2.gz DZLCRHUKORJPJT-UHFFFAOYSA-N 1 0 223.316 1.784 40 0 BDABRO c1cncc(OC[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)c1 ZINC000107488057 384973265 /nfs/dbraw/zinc/97/32/65/384973265.db2.gz ZQZHMPUZJIJMCV-JHJVBQTASA-N 1 0 234.299 1.370 40 0 BDABRO CN1C(=O)C[C@H]2[C@H]1CC[N@@H+]2Cc1ccoc1 ZINC000107799887 385002853 /nfs/dbraw/zinc/00/28/53/385002853.db2.gz IEYZUUNCLCAFFI-MNOVXSKESA-N 1 0 220.272 1.085 40 0 BDABRO Clc1ncc(CNC[C@H]2CCC[NH2+]2)s1 ZINC000072203712 385059588 /nfs/dbraw/zinc/05/95/88/385059588.db2.gz CALPOJNKPCEJMZ-SSDOTTSWSA-N 1 0 231.752 1.638 40 0 BDABRO Cc1cc2onc(N3CC[NH2+]CC3)c2c(C)c1 ZINC000072209027 385064843 /nfs/dbraw/zinc/06/48/43/385064843.db2.gz PAJPSRDAWRHSPV-UHFFFAOYSA-N 1 0 231.299 1.854 40 0 BDABRO CCOC(=O)[C@@H](N)[C@](C)(CC)[NH+](CC)CC ZINC000072210567 385068335 /nfs/dbraw/zinc/06/83/35/385068335.db2.gz XYINXNDVJREPAP-PWSUYJOCSA-N 1 0 230.352 1.387 40 0 BDABRO CNc1ccc([C@H]2CCCN2C(C)=O)cn1 ZINC000072212469 385076411 /nfs/dbraw/zinc/07/64/11/385076411.db2.gz VOLMXRSWWMQGJS-LLVKDONJSA-N 1 0 219.288 1.807 40 0 BDABRO CCN(C)c1ncccc1[C@H]1CCC[NH2+]1 ZINC000072212759 385080323 /nfs/dbraw/zinc/08/03/23/385080323.db2.gz JNBGVZHNVHDMHE-LLVKDONJSA-N 1 0 205.305 1.962 40 0 BDABRO CCOCCC[NH2+]Cc1cnn(C)c1C ZINC000086551879 385027371 /nfs/dbraw/zinc/02/73/71/385027371.db2.gz XUDWWOQXAWVTLN-UHFFFAOYSA-N 1 0 211.309 1.245 40 0 BDABRO Nc1ncc(C[NH2+]Cc2ccccc2)cn1 ZINC000062717346 385030902 /nfs/dbraw/zinc/03/09/02/385030902.db2.gz GHMOPUFWTKQADF-UHFFFAOYSA-N 1 0 214.272 1.349 40 0 BDABRO CCCC[NH2+]C[C@@H](O)COCC(C)C ZINC000005419929 385031449 /nfs/dbraw/zinc/03/14/49/385031449.db2.gz ZOEXNPHIIILWEF-LLVKDONJSA-N 1 0 203.326 1.410 40 0 BDABRO CCSc1ncc(C[NH2+][C@H](CC)CO)cn1 ZINC000062717291 385034923 /nfs/dbraw/zinc/03/49/23/385034923.db2.gz FEXQRJLPQBHODN-SNVBAGLBSA-N 1 0 241.360 1.449 40 0 BDABRO CC[C@@H]([NH3+])c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072225534 385113701 /nfs/dbraw/zinc/11/37/01/385113701.db2.gz SYRMARPUZCDJDY-GFCCVEGCSA-N 1 0 234.347 1.243 40 0 BDABRO CN(C)[C@@H](C[NH3+])c1cc(Cl)cs1 ZINC000072220818 385096451 /nfs/dbraw/zinc/09/64/51/385096451.db2.gz FLHHHDFMNIDNPA-ZETCQYMHSA-N 1 0 204.726 1.963 40 0 BDABRO Cc1nc(N2CCOCC2)ccc1C1=[NH+]CCC1 ZINC000072219606 385107124 /nfs/dbraw/zinc/10/71/24/385107124.db2.gz JMWINKJRSSKODU-UHFFFAOYSA-N 1 0 245.326 1.810 40 0 BDABRO Cc1ccc([C@H](O)C2(C[NH3+])CCOCC2)cc1 ZINC000085395878 385159688 /nfs/dbraw/zinc/15/96/88/385159688.db2.gz TUWIGJJKEWPAMV-ZDUSSCGKSA-N 1 0 235.327 1.784 40 0 BDABRO COC(=O)[C@@]12CC[C@@](C)([C@@H]([NH3+])C1)C2(C)C ZINC000085398665 385164039 /nfs/dbraw/zinc/16/40/39/385164039.db2.gz FJOFSQOENBVKBX-KPXOXKRLSA-N 1 0 211.305 1.703 40 0 BDABRO C[NH+](C)CCNc1ccc(Cl)nn1 ZINC000004897763 385169471 /nfs/dbraw/zinc/16/94/71/385169471.db2.gz MTUCJBQJHWFEIE-UHFFFAOYSA-N 1 0 200.673 1.104 40 0 BDABRO Cc1nc2c(c(N3CCC([NH3+])CC3)n1)CCCC2 ZINC000096516887 385256633 /nfs/dbraw/zinc/25/66/33/385256633.db2.gz LEPWMLSKOPDLMK-UHFFFAOYSA-N 1 0 246.358 1.591 40 0 BDABRO [NH3+][C@H]1CCN(c2cc(-c3ccncc3)[nH]n2)C1 ZINC000096517193 385256766 /nfs/dbraw/zinc/25/67/66/385256766.db2.gz IBDJIPYNQFNQRS-JTQLQIEISA-N 1 0 229.287 1.009 40 0 BDABRO C[C@H]([NH3+])c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000096510450 385249261 /nfs/dbraw/zinc/24/92/61/385249261.db2.gz YISAOXAMHVGUAR-BYPYZUCNSA-N 1 0 230.193 1.996 40 0 BDABRO CCOCc1nc(CC2CC[NH2+]CC2)no1 ZINC000096511483 385252153 /nfs/dbraw/zinc/25/21/53/385252153.db2.gz WTHSCGBWJCOYFL-UHFFFAOYSA-N 1 0 225.292 1.148 40 0 BDABRO [NH3+][C@H]1CCN(Cc2cc(=O)oc3ccccc23)C1 ZINC000096517063 385256012 /nfs/dbraw/zinc/25/60/12/385256012.db2.gz RWPUKZFWDZZHCU-NSHDSACASA-N 1 0 244.294 1.326 40 0 BDABRO O=c1c2c(nc(C3CC3)n1CC1CC1)CC[NH2+]C2 ZINC000096516487 385259520 /nfs/dbraw/zinc/25/95/20/385259520.db2.gz OASJRUVKTHFITE-UHFFFAOYSA-N 1 0 245.326 1.176 40 0 BDABRO [NH3+][C@@H]1CCN(Cc2cc(-c3cccs3)n[nH]2)C1 ZINC000096523474 385266393 /nfs/dbraw/zinc/26/63/93/385266393.db2.gz YFWWSJSUBCLCDN-SECBINFHSA-N 1 0 248.355 1.671 40 0 BDABRO COc1ccc(CN2CC[C@H]([NH3+])C2)c(C)c1 ZINC000096523503 385267420 /nfs/dbraw/zinc/26/74/20/385267420.db2.gz MQRZHAYDVVECHM-LBPRGKRZSA-N 1 0 220.316 1.537 40 0 BDABRO [NH3+][C@H]1CCN(Cc2nccc3ccccc32)C1 ZINC000096523495 385267856 /nfs/dbraw/zinc/26/78/56/385267856.db2.gz DJDYVYHPPKNEJB-LBPRGKRZSA-N 1 0 227.311 1.768 40 0 BDABRO Cc1ccc(C)c(N2CCN(C[C@@H](C)[NH3+])CC2)c1 ZINC000096523922 385270861 /nfs/dbraw/zinc/27/08/61/385270861.db2.gz HPWRWWOGSNBPTI-CQSZACIVSA-N 1 0 247.386 1.773 40 0 BDABRO CC[C@@H](C)[C@@H]([NH3+])CN(C)Cc1cn(C)nc1C ZINC000096523965 385272175 /nfs/dbraw/zinc/27/21/75/385272175.db2.gz CIECQBFSPNZESK-MFKMUULPSA-N 1 0 238.379 1.534 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1cccc(C)c1 ZINC000096524848 385277817 /nfs/dbraw/zinc/27/78/17/385277817.db2.gz CUAMCGFUXCZKCP-PWSUYJOCSA-N 1 0 241.356 1.818 40 0 BDABRO CC[C@H]([C@H]([NH3+])c1cccc(N)c1)S(C)(=O)=O ZINC000096524880 385278601 /nfs/dbraw/zinc/27/86/01/385278601.db2.gz KGHKWRCDTXOYRN-GHMZBOCLSA-N 1 0 242.344 1.092 40 0 BDABRO CC(C)c1noc(-c2cccn2CC[NH3+])n1 ZINC000096531600 385281495 /nfs/dbraw/zinc/28/14/95/385281495.db2.gz NJLCKVXXBLMEQF-UHFFFAOYSA-N 1 0 220.276 1.620 40 0 BDABRO C[C@H]1CCc2nnc(N3CC[NH2+]CC3)cc2C1 ZINC000096530182 385284697 /nfs/dbraw/zinc/28/46/97/385284697.db2.gz JGFSGAXOSQOWPZ-JTQLQIEISA-N 1 0 232.331 1.011 40 0 BDABRO C[NH+](C)CC[C@H]1Cc2ccccc2C1=O ZINC000034534977 385285681 /nfs/dbraw/zinc/28/56/81/385285681.db2.gz XJKFCKOAHVBKLL-NSHDSACASA-N 1 0 203.285 1.993 40 0 BDABRO [NH3+]C[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000409429940 385328699 /nfs/dbraw/zinc/32/86/99/385328699.db2.gz UOWUMIHDHSYMBP-VIFPVBQESA-N 1 0 248.355 1.866 40 0 BDABRO c1cncc(CO[C@@H]2COC3(C2)CC[NH2+]CC3)c1 ZINC000229923225 385690022 /nfs/dbraw/zinc/69/00/22/385690022.db2.gz KMHAGTPRGQBHGL-ZDUSSCGKSA-N 1 0 248.326 1.509 40 0 BDABRO CCOc1ccccc1[C@H]1C[C@@]1(C[NH3+])CO ZINC000062713353 385693929 /nfs/dbraw/zinc/69/39/29/385693929.db2.gz FOHHAUWFXFOJIL-DGCLKSJQSA-N 1 0 221.300 1.510 40 0 BDABRO Cc1ccc([C@H]2C[C@]2(C[NH3+])CO)cc1C ZINC000062713715 385697594 /nfs/dbraw/zinc/69/75/94/385697594.db2.gz CYPVXWQTWKVUFC-OLZOCXBDSA-N 1 0 205.301 1.728 40 0 BDABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1cc(F)ccc1F ZINC000062713735 385698605 /nfs/dbraw/zinc/69/86/05/385698605.db2.gz PGMLHHHLDWBQTK-MWLCHTKSSA-N 1 0 213.227 1.390 40 0 BDABRO C[NH+]1CC2(C1)CO[C@H](Cc1ccccc1)C2 ZINC000257269017 385757586 /nfs/dbraw/zinc/75/75/86/385757586.db2.gz MOFHBQHXISGRCF-CYBMUJFWSA-N 1 0 217.312 1.950 40 0 BDABRO c1cc(-c2nccnc2C[C@@H]2CCC[NH2+]C2)n[nH]1 ZINC000257309893 385762657 /nfs/dbraw/zinc/76/26/57/385762657.db2.gz UCVQHWSXJSMRCR-JTQLQIEISA-N 1 0 243.314 1.409 40 0 BDABRO CS(=O)(=O)[C@H]1[C@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000218422791 385891212 /nfs/dbraw/zinc/89/12/12/385891212.db2.gz IDKGHMDCFUPBRN-IVZWLZJFSA-N 1 0 245.731 1.178 40 0 BDABRO COC(=O)c1ccc2c(c1)[C@]1(CC[NH2+]1)CO2 ZINC000306145964 385995017 /nfs/dbraw/zinc/99/50/17/385995017.db2.gz XIOBTLHCGXLMBP-LBPRGKRZSA-N 1 0 219.240 1.054 40 0 BDABRO Fc1ccc2c(c1)[C@]1(CC2)COCC[NH2+]1 ZINC000306145326 385991892 /nfs/dbraw/zinc/99/18/92/385991892.db2.gz BMQLBCINTLXXFV-LBPRGKRZSA-N 1 0 207.248 1.587 40 0 BDABRO c1nc(COCC2CC2)c2n1CCC[NH2+]C2 ZINC000306135099 385992198 /nfs/dbraw/zinc/99/21/98/385992198.db2.gz OHVDMBVMDLHGLP-UHFFFAOYSA-N 1 0 221.304 1.303 40 0 BDABRO C[NH2+][C@H](C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000037869917 386104792 /nfs/dbraw/zinc/10/47/92/386104792.db2.gz SEZGNACPMHKMFM-QMMMGPOBSA-N 1 0 232.205 1.451 40 0 BDABRO COC(=O)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC000215438834 386357337 /nfs/dbraw/zinc/35/73/37/386357337.db2.gz AASKKLGNFGJCHU-NWDGAFQWSA-N 1 0 219.284 1.900 40 0 BDABRO c1nc([C@@H]2C[NH2+]C[C@H]2c2ccccc2)no1 ZINC000328579413 386529189 /nfs/dbraw/zinc/52/91/89/386529189.db2.gz GPPVTTRGQXJLER-WDEREUQCSA-N 1 0 215.256 1.540 40 0 BDABRO [NH3+]Cc1ccnc(N2CCCCCC2=O)c1 ZINC000098214002 386582745 /nfs/dbraw/zinc/58/27/45/386582745.db2.gz RZTVGTYMJRFCBE-UHFFFAOYSA-N 1 0 219.288 1.447 40 0 BDABRO Cc1cncc(CO[C@H]2CCOC3(C[NH2+]C3)C2)c1 ZINC000247878765 386735385 /nfs/dbraw/zinc/73/53/85/386735385.db2.gz BMSUUZHFCWOAGH-ZDUSSCGKSA-N 1 0 248.326 1.428 40 0 BDABRO [NH3+][C@H]1C[C@H](C(F)(F)F)CC2(C1)OCCO2 ZINC000575424070 387040268 /nfs/dbraw/zinc/04/02/68/387040268.db2.gz VFESXCIJMWIFST-BQBZGAKWSA-N 1 0 225.210 1.419 40 0 BDABRO c1ccc(N2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC000096226218 387022247 /nfs/dbraw/zinc/02/22/47/387022247.db2.gz GNTCZIOTMHGZAK-CQSZACIVSA-N 1 0 232.327 1.645 40 0 BDABRO Cn1c2ccccc2c(=O)c2c1CC[NH2+]C2 ZINC000072221272 387127494 /nfs/dbraw/zinc/12/74/94/387127494.db2.gz XLIZXVADVLTTRV-UHFFFAOYSA-N 1 0 214.268 1.184 40 0 BDABRO c1ccc(COC[C@@H]2CCCC[NH2+]2)nc1 ZINC000051816002 387420279 /nfs/dbraw/zinc/42/02/79/387420279.db2.gz QHGKPYNFFPEWCV-LBPRGKRZSA-N 1 0 206.289 1.740 40 0 BDABRO CS(=O)(=O)C[C@H]([NH3+])c1cccc(Cl)c1 ZINC000052788839 387494473 /nfs/dbraw/zinc/49/44/73/387494473.db2.gz VXBIZPJDFHOUJU-VIFPVBQESA-N 1 0 233.720 1.384 40 0 BDABRO Cc1cc(C)c(C[NH3+])c(OCC(F)F)n1 ZINC000095097309 177857171 /nfs/dbraw/zinc/85/71/71/177857171.db2.gz AGKDDEKTIPBJSY-UHFFFAOYSA-N 1 0 216.231 1.801 40 0 BDABRO C[C@H]([NH3+])c1nnc2ccc(-c3ccccc3)nn21 ZINC000058021709 388371788 /nfs/dbraw/zinc/37/17/88/388371788.db2.gz YIKFMXWZRKRBSC-VIFPVBQESA-N 1 0 239.282 1.811 40 0 BDABRO C[NH2+]C[C@H]1CC[C@@]2(CCOC(C)(C)C2)O1 ZINC000242548212 388399709 /nfs/dbraw/zinc/39/97/09/388399709.db2.gz LDCGOVCOSZSMCK-PWSUYJOCSA-N 1 0 213.321 1.713 40 0 BDABRO Cc1ccncc1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000242723041 388400733 /nfs/dbraw/zinc/40/07/33/388400733.db2.gz YBYNYKLTVMBKPO-SNVBAGLBSA-N 1 0 219.288 1.105 40 0 BDABRO [NH3+]C[C@H](CC(=O)N1CCCC1)c1ccccc1 ZINC000057520869 388627389 /nfs/dbraw/zinc/62/73/89/388627389.db2.gz YFSTYOYTUDGKTH-ZDUSSCGKSA-N 1 0 232.327 1.741 40 0 BDABRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[NH2+]C2 ZINC000306135512 388628892 /nfs/dbraw/zinc/62/88/92/388628892.db2.gz OTOLNQUCYRAVFX-CQSZACIVSA-N 1 0 248.301 1.538 40 0 BDABRO CCOc1cccc([C@@H]2CN(C)C[C@H]2[NH3+])c1 ZINC000252515777 388654204 /nfs/dbraw/zinc/65/42/04/388654204.db2.gz NGXVBQRXWPZTTC-QWHCGFSZSA-N 1 0 220.316 1.442 40 0 BDABRO COc1cc(OC)cc([C@@H]2C[C@]2(C[NH3+])CO)c1 ZINC000062713688 388655023 /nfs/dbraw/zinc/65/50/23/388655023.db2.gz LNGMZQFCUSVSPE-STQMWFEESA-N 1 0 237.299 1.129 40 0 BDABRO CC(C)Nc1ncc(C[NH2+]C(C)(C)CO)cn1 ZINC000062717599 388655978 /nfs/dbraw/zinc/65/59/78/388655978.db2.gz MDKZEWGQDSEAJK-UHFFFAOYSA-N 1 0 238.335 1.157 40 0 BDABRO CSCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)C1 ZINC000062725421 388656035 /nfs/dbraw/zinc/65/60/35/388656035.db2.gz SBQDBDHESJQRNU-NXEZZACHSA-N 1 0 230.377 1.325 40 0 BDABRO Cc1ccc(Nc2nccc(C3C[NH2+]C3)n2)nc1 ZINC000257248816 388698835 /nfs/dbraw/zinc/69/88/35/388698835.db2.gz JFIKROUIVDGTOP-UHFFFAOYSA-N 1 0 241.298 1.610 40 0 BDABRO Cc1cc(-c2nccn2C)nc([C@@H]2CC[NH2+]C2)n1 ZINC000257303212 388698925 /nfs/dbraw/zinc/69/89/25/388698925.db2.gz SGFOGLMIPCVVAR-SNVBAGLBSA-N 1 0 243.314 1.262 40 0 BDABRO CC[C@@H](C)[C@H]([NH3+])CN1CCSCC1 ZINC000020257452 388760550 /nfs/dbraw/zinc/76/05/50/388760550.db2.gz DXYMWDCYWUJHRU-NXEZZACHSA-N 1 0 202.367 1.409 40 0 BDABRO Cc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC000031659593 132334571 /nfs/dbraw/zinc/33/45/71/132334571.db2.gz FJWBDCUZQKWYMJ-UHFFFAOYSA-N 1 0 220.316 1.109 40 0 BDABRO Cc1ccccc1N1CC[NH+](CCO)CC1 ZINC000031342835 132334595 /nfs/dbraw/zinc/33/45/95/132334595.db2.gz DAUYTSOWJCAVPG-UHFFFAOYSA-N 1 0 220.316 1.109 40 0 BDABRO [NH3+]C1CCN(c2ncnc3ccccc32)CC1 ZINC000037500189 132344697 /nfs/dbraw/zinc/34/46/97/132344697.db2.gz XZOKWLMJJODVFF-UHFFFAOYSA-N 1 0 228.299 1.557 40 0 BDABRO C[NH2+]C1CCN(c2ccnc(SC)n2)CC1 ZINC000072203045 132396407 /nfs/dbraw/zinc/39/64/07/132396407.db2.gz PWSQEBLGEFEYMO-UHFFFAOYSA-N 1 0 238.360 1.387 40 0 BDABRO [NH3+][C@H]1CCCN(c2cc3c(nn2)CCCCC3)C1 ZINC000096516141 132432210 /nfs/dbraw/zinc/43/22/10/132432210.db2.gz WJWFXXDZUSLNAQ-LBPRGKRZSA-N 1 0 246.358 1.673 40 0 BDABRO CCC[N@H+](C)C[C@@H](N)Cc1ccccc1 ZINC000037098580 397968341 /nfs/dbraw/zinc/96/83/41/397968341.db2.gz HCZKBZPJMAJMJM-ZDUSSCGKSA-N 1 0 206.333 1.898 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1OC ZINC000217669936 398119141 /nfs/dbraw/zinc/11/91/41/398119141.db2.gz WDEWEEAIKZZIRC-NEPJUHHUSA-N 1 0 249.310 1.513 40 0 BDABRO CC(C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000072194530 167133548 /nfs/dbraw/zinc/13/35/48/167133548.db2.gz JRECQALUKGSSFA-SNVBAGLBSA-N 1 0 228.336 1.994 40 0 BDABRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C[NH3+] ZINC000098210108 166644037 /nfs/dbraw/zinc/64/40/37/166644037.db2.gz KSBAPSGBYKCXOJ-QMMMGPOBSA-N 1 0 214.309 1.591 40 0 BDABRO CC(C)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000019883237 167003552 /nfs/dbraw/zinc/00/35/52/167003552.db2.gz XFARCYYEHZKICW-UHFFFAOYSA-N 1 0 213.321 1.918 40 0 BDABRO CC(C)Oc1ccc([C@@H](O)CC[NH3+])cc1 ZINC000071511841 167299555 /nfs/dbraw/zinc/29/95/55/167299555.db2.gz DRHIMPKCYKDBFR-LBPRGKRZSA-N 1 0 209.289 1.856 40 0 BDABRO FC(F)(F)CN1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000200943223 411182842 /nfs/dbraw/zinc/18/28/42/411182842.db2.gz HMXUITWZJXSEBR-IUCAKERBSA-N 1 0 222.254 1.765 40 0 BDABRO CC1=CC[C@@H]2C[N@@H+](CCN(C)C)C[C@@H]2C1 ZINC000022580371 168119042 /nfs/dbraw/zinc/11/90/42/168119042.db2.gz WVYNZNQOWJKLQW-OLZOCXBDSA-N 1 0 208.349 1.836 40 0 BDABRO CC1CC(C[NH3+])([C@@H](O)c2ccccn2)C1 ZINC000085396219 168138938 /nfs/dbraw/zinc/13/89/38/168138938.db2.gz ZAJDFJGLZSJTGR-ZYXZCXLHSA-N 1 0 206.289 1.490 40 0 BDABRO CCN(Cc1ccc(SC)cc1)C(=O)C[NH3+] ZINC000079420512 169908762 /nfs/dbraw/zinc/90/87/62/169908762.db2.gz OGJNVRPHYJSQEF-UHFFFAOYSA-N 1 0 238.356 1.716 40 0 BDABRO CC[N@@H+]1CC[C@@H](c2ccnc(N(C)C)n2)C1 ZINC000072361100 170013523 /nfs/dbraw/zinc/01/35/23/170013523.db2.gz PHBWQNKIZJHVOU-SNVBAGLBSA-N 1 0 220.320 1.352 40 0 BDABRO CC[NH2+][C@H]1C(C)=N[C@H]2C[C@@H](C(=O)OC)CC[C@@H]12 ZINC000096305877 170166029 /nfs/dbraw/zinc/16/60/29/170166029.db2.gz PLYJHDWWKOTOCG-USZNOCQGSA-N 1 0 238.331 1.397 40 0 BDABRO CC[NH2+][C@H]1CN(c2ccc(OC)cc2)C1=O ZINC000217461517 170169175 /nfs/dbraw/zinc/16/91/75/170169175.db2.gz BNOJAFRZNXZSIQ-NSHDSACASA-N 1 0 220.272 1.020 40 0 BDABRO CCOc1cc(NC[C@H]2CCC[NH2+]C2)ncn1 ZINC000079438814 170526999 /nfs/dbraw/zinc/52/69/99/170526999.db2.gz HIVURTPCXFEQHL-JTQLQIEISA-N 1 0 236.319 1.287 40 0 BDABRO CCn1c(C)ccc1C[NH2+]CCCOC ZINC000226019107 172137289 /nfs/dbraw/zinc/13/72/89/172137289.db2.gz SUHKHESZMDLAPV-UHFFFAOYSA-N 1 0 210.321 1.943 40 0 BDABRO CCn1cc(-c2nc(C[NH3+])cs2)cn1 ZINC000095093929 172148470 /nfs/dbraw/zinc/14/84/70/172148470.db2.gz KENGHXWSOHWLDP-UHFFFAOYSA-N 1 0 208.290 1.485 40 0 BDABRO CCn1cc([C@@H](O)C[NH2+]C)c2ccccc21 ZINC000001843282 172196431 /nfs/dbraw/zinc/19/64/31/172196431.db2.gz VVSPHTVFNGUXSK-ZDUSSCGKSA-N 1 0 218.300 1.914 40 0 BDABRO CCn1cc2c(n1)[C@H](COC)C[N@@H+](CC1CC1)C2 ZINC000096059894 172198646 /nfs/dbraw/zinc/19/86/46/172198646.db2.gz FWSGVTZVNKTQBV-ZDUSSCGKSA-N 1 0 249.358 1.859 40 0 BDABRO CCn1ccc(-c2nc(C3CC[NH2+]CC3)no2)n1 ZINC000096511450 172199995 /nfs/dbraw/zinc/19/99/95/172199995.db2.gz DCJNSTNNTMNKGM-UHFFFAOYSA-N 1 0 247.302 1.420 40 0 BDABRO CCn1nc(C)c(C[NH2+]CCCOC)c1F ZINC000256054103 172246109 /nfs/dbraw/zinc/24/61/09/172246109.db2.gz UYIVJKIYMGTXSR-UHFFFAOYSA-N 1 0 229.299 1.477 40 0 BDABRO CCn1ncc(CNCCC[NH+](C)C)c1F ZINC000256051076 172255277 /nfs/dbraw/zinc/25/52/77/172255277.db2.gz HPOXAARTSAGBMX-UHFFFAOYSA-N 1 0 228.315 1.083 40 0 BDABRO CCn1nccc1[C@H](O)C1(C[NH3+])CCC1 ZINC000085396179 172277079 /nfs/dbraw/zinc/27/70/79/172277079.db2.gz XHAKFTZYLXSCOC-JTQLQIEISA-N 1 0 209.293 1.065 40 0 BDABRO CN(Cc1cccnc1)[C@@H]1C[NH2+][C@@H]2CCCO[C@@H]21 ZINC000306134187 172885353 /nfs/dbraw/zinc/88/53/53/172885353.db2.gz NFJHUXVKXSSOMX-MCIONIFRSA-N 1 0 247.342 1.033 40 0 BDABRO C[NH+]1CCC(c2cncc(-n3ccnc3)n2)CC1 ZINC000072355469 173001956 /nfs/dbraw/zinc/00/19/56/173001956.db2.gz KQQWMQFCZYTBKQ-UHFFFAOYSA-N 1 0 243.314 1.472 40 0 BDABRO C[N@@H+]1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000072370018 173022730 /nfs/dbraw/zinc/02/27/30/173022730.db2.gz KEYBQITYLHAWBF-MRVPVSSYSA-N 1 0 217.276 1.162 40 0 BDABRO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1 ZINC000005921186 173024123 /nfs/dbraw/zinc/02/41/23/173024123.db2.gz MBYHXRROGKESQT-LLVKDONJSA-N 1 0 204.273 1.719 40 0 BDABRO C[N@@H+]1CCC[C@@H]1c1cnc(-c2cc[nH]n2)cn1 ZINC000257339684 173035361 /nfs/dbraw/zinc/03/53/61/173035361.db2.gz ZCTMWUYKCAQGHP-GFCCVEGCSA-N 1 0 229.287 1.633 40 0 BDABRO C[N@@H+]1CCC[C@@H]1c1cnc(N2CCOC2=O)cn1 ZINC000257217695 173037422 /nfs/dbraw/zinc/03/74/22/173037422.db2.gz DAENNKHENYIYIA-SNVBAGLBSA-N 1 0 248.286 1.200 40 0 BDABRO C[N@@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000016697179 173053341 /nfs/dbraw/zinc/05/33/41/173053341.db2.gz QEVQEWQGMDZNTH-JTQLQIEISA-N 1 0 228.336 1.995 40 0 BDABRO C[N@@H+]1CC[C@@H](NN)c2cc(Cl)ccc2C1 ZINC000096510463 173124590 /nfs/dbraw/zinc/12/45/90/173124590.db2.gz WSVNPXGKJJDSSM-LLVKDONJSA-N 1 0 225.723 1.680 40 0 BDABRO CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccc(N)cc1 ZINC000217664431 173196043 /nfs/dbraw/zinc/19/60/43/173196043.db2.gz LOROOKGTJUHXJH-OLZOCXBDSA-N 1 0 247.342 1.002 40 0 BDABRO C[NH2+]C1CCN([C@@H](C)c2nccs2)CC1 ZINC000070733856 173323924 /nfs/dbraw/zinc/32/39/24/173323924.db2.gz ZIOSPPBTWVRMHR-VIFPVBQESA-N 1 0 225.361 1.888 40 0 BDABRO C[NH2+]CC(=O)N1CCC[C@H](c2cccc(C)n2)C1 ZINC000072383407 173326276 /nfs/dbraw/zinc/32/62/76/173326276.db2.gz JSQRWVAVNZELBT-LBPRGKRZSA-N 1 0 247.342 1.315 40 0 BDABRO C[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000084193639 173345718 /nfs/dbraw/zinc/34/57/18/173345718.db2.gz QRXUKURKZNOVAF-UHFFFAOYSA-N 1 0 202.298 1.463 40 0 BDABRO C[NH2+]C[C@H](N)Cc1c[nH]c2ccccc12 ZINC000035225628 173376063 /nfs/dbraw/zinc/37/60/63/173376063.db2.gz HNXYRQIWABISIU-SNVBAGLBSA-N 1 0 203.289 1.257 40 0 BDABRO C[NH2+]Cc1cc(Br)ccn1 ZINC000083283670 173385755 /nfs/dbraw/zinc/38/57/55/173385755.db2.gz SMBDMHSXEUBQPY-UHFFFAOYSA-N 1 0 201.067 1.564 40 0 BDABRO COC(=O)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000057515782 173625731 /nfs/dbraw/zinc/62/57/31/173625731.db2.gz OCBVBGZBNKBCBA-JTQLQIEISA-N 1 0 223.272 1.301 40 0 BDABRO COC(=O)c1ccc2c(ccc[n+]2C)c1 ZINC000001723451 173891721 /nfs/dbraw/zinc/89/17/21/173891721.db2.gz WPEYLNNCSUNYDN-UHFFFAOYSA-N 1 0 202.233 1.451 40 0 BDABRO COc1ccc(-n2cccc2C[NH3+])cc1 ZINC000023993755 175044245 /nfs/dbraw/zinc/04/42/45/175044245.db2.gz BOKTYYRGUZFMEH-UHFFFAOYSA-N 1 0 202.257 1.945 40 0 BDABRO COc1ccc(C2=[NH+]C[C@H](C)N2)c(O)c1 ZINC000005534161 175085034 /nfs/dbraw/zinc/08/50/34/175085034.db2.gz GSHCIAWYWVRHMS-ZETCQYMHSA-N 1 0 206.245 1.139 40 0 BDABRO COc1ccc(CC[NH2+]Cc2cnn(C)c2)cc1 ZINC000002536440 175091488 /nfs/dbraw/zinc/09/14/88/175091488.db2.gz BBTGXVUMZVVLIT-UHFFFAOYSA-N 1 0 245.326 1.761 40 0 BDABRO COc1ccc(CN2CC[NH2+][C@@H](C)C2)cc1 ZINC000071522556 175101088 /nfs/dbraw/zinc/10/10/88/175101088.db2.gz RCSFCAZDZFHPPE-NSHDSACASA-N 1 0 220.316 1.489 40 0 BDABRO COc1ccc(CN2CC[NH2+][C@H](C)CC2)cc1 ZINC000049661001 175101272 /nfs/dbraw/zinc/10/12/72/175101272.db2.gz CFCMHELKVQNTLH-GFCCVEGCSA-N 1 0 234.343 1.879 40 0 BDABRO COc1ccc(OC)c2c(NCC[NH3+])ccnc12 ZINC000222682250 175170030 /nfs/dbraw/zinc/17/00/30/175170030.db2.gz HLSUEHLMPHXONT-UHFFFAOYSA-N 1 0 247.298 1.623 40 0 BDABRO COc1ccc([C@@H]2CN(C)C[C@@H]2[NH3+])cc1 ZINC000216434872 175183474 /nfs/dbraw/zinc/18/34/74/175183474.db2.gz SQPBLMCZKBMQOF-RYUDHWBXSA-N 1 0 206.289 1.052 40 0 BDABRO COc1ccc2c(c1)[C@@H]([NH3+])CCN(C)C2 ZINC000096509718 175214445 /nfs/dbraw/zinc/21/44/45/175214445.db2.gz AOPHWVIXVXBXFU-LBPRGKRZSA-N 1 0 206.289 1.531 40 0 BDABRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2C ZINC000001685320 175217720 /nfs/dbraw/zinc/21/77/20/175217720.db2.gz RXWFPSSQPBGPNU-UHFFFAOYSA-N 1 0 218.300 1.997 40 0 BDABRO COc1cccc(CC[NH3+])c1OC(F)F ZINC000037721688 175251688 /nfs/dbraw/zinc/25/16/88/175251688.db2.gz OOMQPJWIWGGLIS-UHFFFAOYSA-N 1 0 217.215 1.798 40 0 BDABRO COc1cccc(C[NH+](C)C)c1C(C)(C)O ZINC000001662346 175253652 /nfs/dbraw/zinc/25/36/52/175253652.db2.gz GHYVWOJHPOTTFO-UHFFFAOYSA-N 1 0 223.316 1.984 40 0 BDABRO COc1cccc([C@@H]2C[C@H]2C[NH3+])c1OC ZINC000054586874 175290488 /nfs/dbraw/zinc/29/04/88/175290488.db2.gz UEPSALDSZBPAMV-WCBMZHEXSA-N 1 0 207.273 1.766 40 0 BDABRO COc1ccccc1CN(C(=O)[C@H](C)[NH3+])C1CC1 ZINC000037816865 175324567 /nfs/dbraw/zinc/32/45/67/175324567.db2.gz VBIXVNQRYMWMHX-JTQLQIEISA-N 1 0 248.326 1.533 40 0 BDABRO COc1ccccc1OCC[NH2+]C1CC1 ZINC000020525238 175340734 /nfs/dbraw/zinc/34/07/34/175340734.db2.gz HLVCVSCYDWMBRE-UHFFFAOYSA-N 1 0 207.273 1.826 40 0 BDABRO COc1ccccc1[C@@H]1CN(C)C[C@H]1[NH3+] ZINC000082378580 175349204 /nfs/dbraw/zinc/34/92/04/175349204.db2.gz RBSOSCGVVTWKBK-WDEREUQCSA-N 1 0 206.289 1.052 40 0 BDABRO COc1ccccc1[C@H]1C[C@H](CO)C[NH2+]1 ZINC000108351325 175355267 /nfs/dbraw/zinc/35/52/67/175355267.db2.gz CIPYJJFOPZERCR-GXSJLCMTSA-N 1 0 207.273 1.338 40 0 BDABRO C[C@@H]([C@@H]([NH3+])c1ccc(F)cc1)S(C)(=O)=O ZINC000075418420 176011202 /nfs/dbraw/zinc/01/12/02/176011202.db2.gz ALCYFFYWNBELAH-OIBJUYFYSA-N 1 0 231.292 1.259 40 0 BDABRO C[C@@H](c1ccccn1)[N@@H+]1CCCC[C@H]1CO ZINC000245224253 176027496 /nfs/dbraw/zinc/02/74/96/176027496.db2.gz TZMPUWQLONXYTH-RYUDHWBXSA-N 1 0 220.316 1.989 40 0 BDABRO C[C@@H](c1cnccn1)[N@@H+]1CCCC[C@H]1CO ZINC000245204661 176036556 /nfs/dbraw/zinc/03/65/56/176036556.db2.gz FSSCFFPPZZZSSI-QWRGUYRKSA-N 1 0 221.304 1.384 40 0 BDABRO C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](C)C2)C1 ZINC000169951771 176094490 /nfs/dbraw/zinc/09/44/90/176094490.db2.gz FIUSVJRWHMQPEW-NEPJUHHUSA-N 1 0 224.348 1.587 40 0 BDABRO C[C@@H]1CN(Cc2cccc(F)c2)CC[NH2+]1 ZINC000068692342 176306055 /nfs/dbraw/zinc/30/60/55/176306055.db2.gz OKQGIEPNUDZALF-SNVBAGLBSA-N 1 0 208.280 1.619 40 0 BDABRO C[C@H]([C@@H]([NH3+])c1ccc(F)cc1)S(C)(=O)=O ZINC000075418421 177030567 /nfs/dbraw/zinc/03/05/67/177030567.db2.gz ALCYFFYWNBELAH-GMSGAONNSA-N 1 0 231.292 1.259 40 0 BDABRO C[C@H](c1nccs1)N(C)C1CC[NH2+]CC1 ZINC000095068199 177053968 /nfs/dbraw/zinc/05/39/68/177053968.db2.gz PLNOKRIRHKKBFF-SECBINFHSA-N 1 0 225.361 1.888 40 0 BDABRO C[C@H]1CCCC[C@H]1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000195560398 177085058 /nfs/dbraw/zinc/08/50/58/177085058.db2.gz SVLQQXIJPAJIMQ-RWMBFGLXSA-N 1 0 227.348 1.506 40 0 BDABRO C[C@H]1CC[NH2+]C[C@H]1N(C)c1ncnc2[nH]ccc21 ZINC000035270117 177174743 /nfs/dbraw/zinc/17/47/43/177174743.db2.gz XRIARWQZLGCQDM-GXSJLCMTSA-N 1 0 245.330 1.392 40 0 BDABRO C[C@@H]1C[C@H](n2[nH]c(=O)cc2N)[C@@H](C)C[N@@H+]1C ZINC000001073007 177238845 /nfs/dbraw/zinc/23/88/45/177238845.db2.gz KERAHEXBXSFFAC-YIZRAAEISA-N 1 0 224.308 1.072 40 0 BDABRO C[C@H]1Cc2cc3c(cc2C[N@@H+]1C)OCO3 ZINC000001667099 177389051 /nfs/dbraw/zinc/38/90/51/177389051.db2.gz ZLXWXQYVDYZSGF-QMMMGPOBSA-N 1 0 205.257 1.792 40 0 BDABRO Cc1noc([C@@H]2C[NH2+]C[C@@H]2c2cccnc2)n1 ZINC000328579738 490103909 /nfs/dbraw/zinc/10/39/09/490103909.db2.gz YZAPMRNPFAYYTE-GHMZBOCLSA-N 1 0 230.271 1.244 40 0 BDABRO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2C)cc1 ZINC000225777190 521039223 /nfs/dbraw/zinc/03/92/23/521039223.db2.gz DXSRNPGUNMTMDU-LDYMZIIASA-N 1 0 220.272 1.148 40 0 BDABRO C[N@H+](C1CC1)[C@H]1CC[C@H]([NH2+]CC(=O)[O-])CC1 ZINC000248046454 522408878 /nfs/dbraw/zinc/40/88/78/522408878.db2.gz MLOAZEOHZUISAY-MGCOHNPYSA-N 1 0 226.320 1.066 40 0 BDABRO C[C@@H]1[C@H]([NH3+])C(=O)N1c1cccc(Cl)c1 ZINC000225776474 525700273 /nfs/dbraw/zinc/70/02/73/525700273.db2.gz JJYBUGWEEYVSCD-MUWHJKNJSA-N 1 0 210.664 1.402 40 0 BDABRO O=C(c1ccsc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282385 526862595 /nfs/dbraw/zinc/86/25/95/526862595.db2.gz NLZZZCNEHWENFE-NXEZZACHSA-N 1 0 222.313 1.040 40 0 BDABRO CC1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000080992903 535271985 /nfs/dbraw/zinc/27/19/85/535271985.db2.gz MKQOYPGLBAWTEQ-LBPRGKRZSA-N 1 0 224.348 1.777 40 0 BDABRO CC(C)c1cc([C@H]2CCCN2CC[NH3+])no1 ZINC000022763029 635293868 /nfs/dbraw/zinc/29/38/68/635293868.db2.gz WINFACGXVKLRFG-LLVKDONJSA-N 1 0 223.320 1.894 40 0 BDABRO CCN1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000084772757 643671925 /nfs/dbraw/zinc/67/19/25/643671925.db2.gz ICFSFXTYEIPUJK-VIFPVBQESA-N 1 0 208.280 1.783 40 0 BDABRO OC[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000085345178 643745805 /nfs/dbraw/zinc/74/58/05/643745805.db2.gz DMOKYXYTWWRZDY-OLZOCXBDSA-N 1 0 203.285 1.501 40 0 BDABRO Cc1cc(CN2CC[C@@H]([NH3+])C2)ccc1F ZINC000038538890 178000028 /nfs/dbraw/zinc/00/00/28/178000028.db2.gz GFEQDXLEQCGSSY-LLVKDONJSA-N 1 0 208.280 1.667 40 0 BDABRO CC[N@@H+]1CCC[C@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000072361085 343979948 /nfs/dbraw/zinc/97/99/48/343979948.db2.gz RKBJYWZHXAGGSD-JTQLQIEISA-N 1 0 221.304 1.690 40 0 BDABRO CC[N@@H+]1CCCC[C@@H]1c1ccnc(N)n1 ZINC000072361078 343980082 /nfs/dbraw/zinc/98/00/82/343980082.db2.gz CDHGKCODVQRJJN-SNVBAGLBSA-N 1 0 206.293 1.606 40 0 BDABRO CCS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@@H]1c1ccc(F)cc1 ZINC000218538695 398174303 /nfs/dbraw/zinc/17/43/03/398174303.db2.gz NKBPKNOHJPXKNO-AXFHLTTASA-N 1 0 243.303 1.054 40 0 BDABRO CC(C)N1CC=CC[C@H](C2CC[NH2+]CC2)C1=O ZINC000257197496 398201641 /nfs/dbraw/zinc/20/16/41/398201641.db2.gz BFQUJIHBFCIPTG-CYBMUJFWSA-N 1 0 236.359 1.799 40 0 BDABRO NNC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000199533682 398264516 /nfs/dbraw/zinc/26/45/16/398264516.db2.gz MSDSYWUJPBCDLA-ZDUSSCGKSA-N 1 0 219.332 1.504 40 0 BDABRO C[C@@](CO)(c1ccccc1)[NH+]1CCCC1 ZINC000070453378 259313758 /nfs/dbraw/zinc/31/37/58/259313758.db2.gz FICWVYFJKDWVGY-CYBMUJFWSA-N 1 0 205.301 1.990 40 0 BDABRO CC[C@@H]([NH2+]C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000072207609 259315282 /nfs/dbraw/zinc/31/52/82/259315282.db2.gz WIMPVGZRKLLUJS-RKDXNWHRSA-N 1 0 216.325 1.898 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@](C)(O)C[NH3+] ZINC000072207966 259315123 /nfs/dbraw/zinc/31/51/23/259315123.db2.gz YSFVCYSQTOZXKF-JOYOIKCWSA-N 1 0 244.335 1.096 40 0 BDABRO C[NH+]1CCC(CNC=O)(c2ccccc2)CC1 ZINC000001593287 342704838 /nfs/dbraw/zinc/70/48/38/342704838.db2.gz COFZJOJXYKQQLN-UHFFFAOYSA-N 1 0 232.327 1.396 40 0 BDABRO COc1cc(C[NH2+]C2CC2)cc(OC)c1OC ZINC000001605433 342705514 /nfs/dbraw/zinc/70/55/14/342705514.db2.gz GGASCKAPMCXICZ-UHFFFAOYSA-N 1 0 237.299 1.964 40 0 BDABRO CCc1ccc(C)[n+](-n2c(C)cc(=O)cc2C)c1 ZINC000005341533 342762347 /nfs/dbraw/zinc/76/23/47/342762347.db2.gz XXKYDBIATMZPOK-UHFFFAOYSA-N 1 0 243.330 1.935 40 0 BDABRO C[C@@H]([NH3+])c1cnn(CC(=O)OC(C)(C)C)c1 ZINC000585142844 398282349 /nfs/dbraw/zinc/28/23/49/398282349.db2.gz DXMCXYVMAZCSEJ-MRVPVSSYSA-N 1 0 225.292 1.245 40 0 BDABRO CCCCCC[NH+](C[C@@H](C)O)C[C@@H](C)O ZINC000006203329 342774956 /nfs/dbraw/zinc/77/49/56/342774956.db2.gz CFGWPTDWIBCXMS-VXGBXAGGSA-N 1 0 217.353 1.630 40 0 BDABRO C[C@H]([NH3+])C(=O)Nc1ccccc1Br ZINC000011958051 342845051 /nfs/dbraw/zinc/84/50/51/342845051.db2.gz OUCKZCVLWMYYJR-LURJTMIESA-N 1 0 243.104 1.735 40 0 BDABRO OC[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000252497352 259326227 /nfs/dbraw/zinc/32/62/27/259326227.db2.gz QEQDGRHQLCINHT-ZIAGYGMSSA-N 1 0 217.312 1.891 40 0 BDABRO Cc1ncccc1[C@@H](C)O[C@H]1CC[NH2+]C1 ZINC000252500993 398302079 /nfs/dbraw/zinc/30/20/79/398302079.db2.gz UBBMGHNCAVFMTI-MNOVXSKESA-N 1 0 206.289 1.830 40 0 BDABRO COC[C@@H]1C[N@H+](CC2CC2)Cc2cnn(C)c21 ZINC000096060041 398312342 /nfs/dbraw/zinc/31/23/42/398312342.db2.gz WDBXMSQOAHALNS-LBPRGKRZSA-N 1 0 235.331 1.376 40 0 BDABRO C[C@@H](CO)[NH2+]Cc1ccc(Br)o1 ZINC000035603567 342889861 /nfs/dbraw/zinc/88/98/61/342889861.db2.gz IFSJKMSSLOYJQR-LURJTMIESA-N 1 0 234.093 1.513 40 0 BDABRO CS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000218421083 398327680 /nfs/dbraw/zinc/32/76/80/398327680.db2.gz UGVPEMRDHWBYLJ-AEJSXWLSSA-N 1 0 245.731 1.178 40 0 BDABRO [NH3+][C@H]1CCCC[C@@H]1NCc1ccc2c(c1)OCO2 ZINC000218854925 398328852 /nfs/dbraw/zinc/32/88/52/398328852.db2.gz BVKHEYIEIBVHII-RYUDHWBXSA-N 1 0 248.326 1.775 40 0 BDABRO CNc1cc(C)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019686538 133452552 /nfs/dbraw/zinc/45/25/52/133452552.db2.gz QVNDQHMWEXGQAD-SECBINFHSA-N 1 0 206.293 1.641 40 0 BDABRO Cn1cc(C[NH2+]Cc2cccc(F)c2)cn1 ZINC000020349126 342982702 /nfs/dbraw/zinc/98/27/02/342982702.db2.gz VIWWXWGRLKVIBV-UHFFFAOYSA-N 1 0 219.263 1.849 40 0 BDABRO COc1ccc(CN2CC[C@H]([NH3+])C2)cc1Cl ZINC000038538909 343100272 /nfs/dbraw/zinc/10/02/72/343100272.db2.gz MVTGBAQUZVBSCL-JTQLQIEISA-N 1 0 240.734 1.882 40 0 BDABRO C[C@@H](O)C[NH2+]CCNCc1ccc(Cl)cc1 ZINC000022074965 136278073 /nfs/dbraw/zinc/27/80/73/136278073.db2.gz JQSPBIRSZVHZTA-SNVBAGLBSA-N 1 0 242.750 1.400 40 0 BDABRO Cc1ccc(CN(C(=O)C[NH3+])C(C)C)cc1 ZINC000032013718 343290469 /nfs/dbraw/zinc/29/04/69/343290469.db2.gz DMIJROTVWOOTHR-UHFFFAOYSA-N 1 0 220.316 1.691 40 0 BDABRO CC[NH+]1CCC(Nc2cccnc2OC)CC1 ZINC000037070443 343332847 /nfs/dbraw/zinc/33/28/47/343332847.db2.gz JGGAXXGIRPKRTE-UHFFFAOYSA-N 1 0 235.331 1.986 40 0 BDABRO Cc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000036263468 343313411 /nfs/dbraw/zinc/31/34/11/343313411.db2.gz GWYMPFNYXKXZND-WCQYABFASA-N 1 0 245.326 1.821 40 0 BDABRO COC(=O)[C@@H](c1cccc(C)c1)N1CC[NH2+]CC1 ZINC000037963805 343362455 /nfs/dbraw/zinc/36/24/55/343362455.db2.gz NWZATMJDEDWVHV-CYBMUJFWSA-N 1 0 248.326 1.114 40 0 BDABRO CCN(Cc1ccc(Cl)cc1)C(=O)C[NH3+] ZINC000076612491 344030612 /nfs/dbraw/zinc/03/06/12/344030612.db2.gz GWEWFETUBZNORL-UHFFFAOYSA-N 1 0 226.707 1.647 40 0 BDABRO Cn1cc[n+](C(F)(F)[C@H](O)c2ccccc2)c1 ZINC000043879523 343486377 /nfs/dbraw/zinc/48/63/77/343486377.db2.gz BEQYYYOUEWECEK-LLVKDONJSA-N 1 0 239.245 1.596 40 0 BDABRO CCCCCC[NH2+]C[C@H](C)C(=O)OC ZINC000047219169 343559635 /nfs/dbraw/zinc/55/96/35/343559635.db2.gz HRHBAJGPYRKATQ-JTQLQIEISA-N 1 0 201.310 1.965 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH3+])[C@H](F)C1 ZINC000217552877 343589061 /nfs/dbraw/zinc/58/90/61/343589061.db2.gz JEOYTRTYHMXANL-VHSXEESVSA-N 1 0 246.326 1.930 40 0 BDABRO Nc1ccccc1N1CC[NH+](C2CCC2)CC1 ZINC000378681783 343794704 /nfs/dbraw/zinc/79/47/04/343794704.db2.gz SVMGZSWJRWDETE-UHFFFAOYSA-N 1 0 231.343 1.943 40 0 BDABRO C[NH2+]CCCc1cnn(C[C@H]2CCCCO2)c1 ZINC000575623223 343875282 /nfs/dbraw/zinc/87/52/82/343875282.db2.gz ADXQASMMMQDRFT-CYBMUJFWSA-N 1 0 237.347 1.604 40 0 BDABRO CC[C@@H](C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000019434712 347020000 /nfs/dbraw/zinc/02/00/00/347020000.db2.gz YIKLYLZBWHRKCS-ZYHUDNBSSA-N 1 0 220.316 1.991 40 0 BDABRO CC(C)CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000019518605 347023532 /nfs/dbraw/zinc/02/35/32/347023532.db2.gz YQZGMCGTCRGQDW-LBPRGKRZSA-N 1 0 220.316 1.849 40 0 BDABRO Cc1c[nH]c(-c2cc([C@H]3CC[NH2+]C3)nc(C)n2)n1 ZINC000585178836 344277150 /nfs/dbraw/zinc/27/71/50/344277150.db2.gz KVVAFHOIKKRAJU-JTQLQIEISA-N 1 0 243.314 1.560 40 0 BDABRO CC(C)CN1CC[C@]2(CCC[NH2+]C2)C1=O ZINC000096157223 344368338 /nfs/dbraw/zinc/36/83/38/344368338.db2.gz IFSDFQKHYVNFHV-LBPRGKRZSA-N 1 0 210.321 1.245 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc2c(c1)CCO2 ZINC000166460004 344901015 /nfs/dbraw/zinc/90/10/15/344901015.db2.gz FPVCKVJIKXWQKN-RYUDHWBXSA-N 1 0 247.294 1.098 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)CCO2 ZINC000166459670 344901396 /nfs/dbraw/zinc/90/13/96/344901396.db2.gz FPVCKVJIKXWQKN-VXGBXAGGSA-N 1 0 247.294 1.098 40 0 BDABRO C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000238314387 345021344 /nfs/dbraw/zinc/02/13/44/345021344.db2.gz RNBAIEJDOGSDBC-UHFFFAOYSA-N 1 0 226.320 1.605 40 0 BDABRO Cn1cncc1-c1nccnc1[C@@H]1CCC[NH2+]C1 ZINC000205689570 345180694 /nfs/dbraw/zinc/18/06/94/345180694.db2.gz XASLQSXOSABSOG-SNVBAGLBSA-N 1 0 243.314 1.344 40 0 BDABRO Cc1ccc(C)n1CCOCC[NH+](C)C ZINC000001581197 346450532 /nfs/dbraw/zinc/45/05/32/346450532.db2.gz XKWKAFIDUXGSFK-UHFFFAOYSA-N 1 0 210.321 1.683 40 0 BDABRO Nc1cccc(NCc2ccncc2)[nH+]1 ZINC000001581665 346450898 /nfs/dbraw/zinc/45/08/98/346450898.db2.gz SVYUCMDBQLLHAP-UHFFFAOYSA-N 1 0 200.245 1.671 40 0 BDABRO COc1cc(CC[NH3+])c(OC)c(OC)c1 ZINC000001684288 346464372 /nfs/dbraw/zinc/46/43/72/346464372.db2.gz GERNGXILVRWWGB-UHFFFAOYSA-N 1 0 211.261 1.214 40 0 in-vitro BDABRO Cc1cccc(C[NH2+]CCCn2ccnc2)n1 ZINC000051575920 179092056 /nfs/dbraw/zinc/09/20/56/179092056.db2.gz LFENSKABYPWUGQ-UHFFFAOYSA-N 1 0 230.315 1.766 40 0 BDABRO Cc1cccc(CSC[C@H]([NH3+])CO)c1 ZINC000002560028 346511132 /nfs/dbraw/zinc/51/11/32/346511132.db2.gz SDMOOWMMYVBYLQ-LLVKDONJSA-N 1 0 211.330 1.548 40 0 BDABRO CC[C@H]1[NH2+]CCc2cc(O)c(OC)cc21 ZINC000003847424 346582247 /nfs/dbraw/zinc/58/22/47/346582247.db2.gz NLJYBPCZRDGIQW-SNVBAGLBSA-N 1 0 207.273 1.998 40 0 BDABRO Cc1cccc(NC(=O)CSC2=[NH+]CCN2)c1 ZINC000026441723 179129736 /nfs/dbraw/zinc/12/97/36/179129736.db2.gz XNTXNYQWQFUVCN-UHFFFAOYSA-N 1 0 249.339 1.626 40 0 BDABRO Cc1ccc(NC(=O)C[NH+]2CCCC2)cc1N ZINC000008703615 346682031 /nfs/dbraw/zinc/68/20/31/346682031.db2.gz JXRVFCSVTOLGLK-UHFFFAOYSA-N 1 0 233.315 1.612 40 0 BDABRO Nc1ccc(Cl)nc1NCC[NH+]1CCCC1 ZINC000038538644 348709827 /nfs/dbraw/zinc/70/98/27/348709827.db2.gz RDRKVIJXBLUKHX-UHFFFAOYSA-N 1 0 240.738 1.825 40 0 BDABRO C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000005529995 348932006 /nfs/dbraw/zinc/93/20/06/348932006.db2.gz VAZXXAVHCHRHJJ-YPMHNXCESA-N 1 0 220.316 1.989 40 0 biogenic,in-vitro BDABRO COc1ccc(CN2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000096523504 490236789 /nfs/dbraw/zinc/23/67/89/490236789.db2.gz MQRZHAYDVVECHM-GFCCVEGCSA-N 1 0 220.316 1.537 40 0 BDABRO COC(=O)[C@@H]1CCCN1c1ccccc1C[NH3+] ZINC000026896325 349333143 /nfs/dbraw/zinc/33/31/43/349333143.db2.gz VIVKLDMTZODPPY-LBPRGKRZSA-N 1 0 234.299 1.287 40 0 BDABRO C[NH2+][C@@H](C)[C@@H](OC(C)=O)c1ccccc1 ZINC000032196117 259409487 /nfs/dbraw/zinc/40/94/87/259409487.db2.gz WCDSTFHSWVDGPD-JOYOIKCWSA-N 1 0 207.273 1.899 40 0 BDABRO COC(=O)C(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000022123092 350084534 /nfs/dbraw/zinc/08/45/34/350084534.db2.gz UBCNRDTZKHEWLX-UWVGGRQHSA-N 1 0 213.321 1.916 40 0 BDABRO Cc1nc([C@H]2CC[NH2+]C2)c2sccn12 ZINC000257260890 180056604 /nfs/dbraw/zinc/05/66/04/180056604.db2.gz LEXVMNPQIKUQID-QMMMGPOBSA-N 1 0 207.302 1.781 40 0 BDABRO Cc1nn(C)cc1CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000096523672 180371421 /nfs/dbraw/zinc/37/14/21/180371421.db2.gz RYKCPIYCAVLYOD-GFCCVEGCSA-N 1 0 236.363 1.160 40 0 BDABRO CC[NH+]1CCC(c2nn(C)c3nccnc23)CC1 ZINC000257277442 351043518 /nfs/dbraw/zinc/04/35/18/351043518.db2.gz NXYWSNHSSGOLRK-UHFFFAOYSA-N 1 0 245.330 1.563 40 0 BDABRO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](O)C[NH3+] ZINC000072207828 187788554 /nfs/dbraw/zinc/78/85/54/187788554.db2.gz CDFMLBYKFFGCGO-VHSXEESVSA-N 1 0 244.335 1.096 40 0 BDABRO CC(C)C[N@H+]1C[C@H]2CN(C(=O)C(C)C)C[C@H]2C1 ZINC000063528472 353600296 /nfs/dbraw/zinc/60/02/96/353600296.db2.gz XXWGTRUIMCWJKX-BETUJISGSA-N 1 0 238.375 1.689 40 0 BDABRO CC(=O)Nc1cccc2c1ccc[n+]2C ZINC000072193704 188489159 /nfs/dbraw/zinc/48/91/59/188489159.db2.gz SXKATYKJTJWIBE-UHFFFAOYSA-O 1 0 201.249 1.623 40 0 BDABRO Fc1cccc2c1NCC21CC[NH2+]CC1 ZINC000096261773 181007417 /nfs/dbraw/zinc/00/74/17/181007417.db2.gz XUMYFUDRMKXBKG-UHFFFAOYSA-N 1 0 206.264 1.872 40 0 BDABRO NC(=[NH2+])Cn1ccc(=O)c2cc(Cl)ccc21 ZINC000078400820 181187429 /nfs/dbraw/zinc/18/74/29/181187429.db2.gz KFCVWYHDCZTERR-UHFFFAOYSA-N 1 0 235.674 1.591 40 0 BDABRO NC(=[NH2+])c1ncccc1Br ZINC000071186711 181196990 /nfs/dbraw/zinc/19/69/90/181196990.db2.gz YLIYTHLFTOOBHR-UHFFFAOYSA-N 1 0 200.039 1.128 40 0 BDABRO CC(C)(C)c1ccc(NC(=O)C[NH3+])cc1 ZINC000011956853 355771500 /nfs/dbraw/zinc/77/15/00/355771500.db2.gz VUZQWDZZWBEWCG-UHFFFAOYSA-N 1 0 206.289 1.881 40 0 BDABRO CC(C)[N@H+](C1CCCC1)[C@@H]1CNCC[C@]1(C)O ZINC000685936086 538757164 /nfs/dbraw/zinc/75/71/64/538757164.db2.gz DIPWZUMYBYQZTB-KGLIPLIRSA-N 1 0 240.391 1.752 40 0 BDABRO COC(=O)c1cccnc1NC[C@@H]1CCC[NH2+]C1 ZINC000040434932 357023514 /nfs/dbraw/zinc/02/35/14/357023514.db2.gz RDZBFRPIHNARDG-SNVBAGLBSA-N 1 0 249.314 1.280 40 0 BDABRO C[NH+](C)Cc1[nH]nc(N)c1-c1ccc(F)cc1 ZINC000026511501 357164304 /nfs/dbraw/zinc/16/43/04/357164304.db2.gz UROGHRSJRPFNIU-UHFFFAOYSA-N 1 0 234.278 1.860 40 0 BDABRO [NH3+][C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000022942102 357341731 /nfs/dbraw/zinc/34/17/31/357341731.db2.gz GLXIMRGOPABCGC-LLVKDONJSA-N 1 0 210.708 1.873 40 0 BDABRO [NH3+][C@H]1CCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC000050228776 357395286 /nfs/dbraw/zinc/39/52/86/357395286.db2.gz DJPZDSDAIPIIRN-VIFPVBQESA-N 1 0 229.283 1.341 40 0 BDABRO CCc1ccc([C@@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC000397000904 359890209 /nfs/dbraw/zinc/89/02/09/359890209.db2.gz MWKRFEBDXWBWTE-OLZOCXBDSA-N 1 0 205.301 1.544 40 0 BDABRO NC(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000075905094 181301951 /nfs/dbraw/zinc/30/19/51/181301951.db2.gz GIOVQVWPAAHLPH-NSHDSACASA-N 1 0 204.273 1.253 40 0 BDABRO [NH3+]CC(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000057521311 181353779 /nfs/dbraw/zinc/35/37/79/181353779.db2.gz PFNMPJJPYGNLHJ-UHFFFAOYSA-N 1 0 233.098 1.568 40 0 BDABRO Cc1ccccc1OC[C@@H]1C[NH2+]CCO1 ZINC000011587385 370728612 /nfs/dbraw/zinc/72/86/12/370728612.db2.gz VUMNCOIUUGRFQR-NSHDSACASA-N 1 0 207.273 1.362 40 0 BDABRO [NH3+]CC1([C@H](O)c2ccccc2F)CCOCC1 ZINC000085395860 181361783 /nfs/dbraw/zinc/36/17/83/181361783.db2.gz RYBWTAGPZNRAHK-GFCCVEGCSA-N 1 0 239.290 1.615 40 0 BDABRO [NH3+]CCCNc1cc(O)cc2cccnc21 ZINC000001579749 181383791 /nfs/dbraw/zinc/38/37/91/181383791.db2.gz GCIAKBWVJPFBIQ-UHFFFAOYSA-N 1 0 217.272 1.701 40 0 BDABRO [NH3+]CCN1CCCC[C@@H]1c1cccnc1 ZINC000095097557 181392213 /nfs/dbraw/zinc/39/22/13/181392213.db2.gz GFSVKDOYAMYRHF-GFCCVEGCSA-N 1 0 205.305 1.567 40 0 BDABRO [NH3+]CCN(Cc1cccc2c1OCCO2)C1CC1 ZINC000079421413 181390092 /nfs/dbraw/zinc/39/00/92/181390092.db2.gz AKJKEGYFUIOWNZ-UHFFFAOYSA-N 1 0 248.326 1.381 40 0 BDABRO [NH3+]CCN(Cc1ccc(Cl)nc1)C1CC1 ZINC000079421602 181391085 /nfs/dbraw/zinc/39/10/85/181391085.db2.gz MHAMBPNSVFVHOB-UHFFFAOYSA-N 1 0 225.723 1.658 40 0 BDABRO [NH3+]CCNCc1cccc(OCC(F)(F)F)c1 ZINC000072226468 181397088 /nfs/dbraw/zinc/39/70/88/181397088.db2.gz VTJCBIIALKNPST-UHFFFAOYSA-N 1 0 248.248 1.676 40 0 BDABRO O=c1[nH]cnc2c1C[C@@H](Cc1ccccc1)[NH2+]C2 ZINC000078369046 368336561 /nfs/dbraw/zinc/33/65/61/368336561.db2.gz UIEKIKYVLQQNCB-LLVKDONJSA-N 1 0 241.294 1.027 40 0 BDABRO N#[N+]c1c2[nH]onc-2c(N2CCOCC2)cc1=O ZINC000135971496 368344779 /nfs/dbraw/zinc/34/47/79/368344779.db2.gz GRRJYQNODNMRER-UHFFFAOYSA-O 1 0 248.222 1.250 40 0 BDABRO C[NH+]1CCC2(CO[C@H](Cc3cncnc3)C2)CC1 ZINC000205676167 368357204 /nfs/dbraw/zinc/35/72/04/368357204.db2.gz YWSCPTKJJVMTKZ-CYBMUJFWSA-N 1 0 247.342 1.520 40 0 BDABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2[nH]cnc2C)C1 ZINC000205682420 368357238 /nfs/dbraw/zinc/35/72/38/368357238.db2.gz BYDPZSNVOPKLAD-NSHDSACASA-N 1 0 245.330 1.739 40 0 BDABRO [NH3+][C@@]12C[C@@H]1CN(C(=O)OCc1ccccc1)C2 ZINC000575440829 369027438 /nfs/dbraw/zinc/02/74/38/369027438.db2.gz JUVCIMRPEDATGP-DGCLKSJQSA-N 1 0 232.283 1.356 40 0 BDABRO [NH3+]C[C@H]1C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001914 181468233 /nfs/dbraw/zinc/46/82/33/181468233.db2.gz WRUSKYLHURPMJY-XCBNKYQSSA-N 1 0 245.731 1.461 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@@H]1c1cccc(Cl)c1 ZINC000062713575 181469661 /nfs/dbraw/zinc/46/96/61/181469661.db2.gz GEAFVCBBULHSCD-MNOVXSKESA-N 1 0 211.692 1.765 40 0 BDABRO c1coc(CN2CC[NH2+][C@@H]3CCCC[C@@H]32)c1 ZINC000225711632 259540825 /nfs/dbraw/zinc/54/08/25/259540825.db2.gz IEYUBRTWVMCPLT-OLZOCXBDSA-N 1 0 220.316 1.996 40 0 BDABRO [NH3+][C@H](Cc1ccccc1)CN1CCC[C@H]1CO ZINC000110763473 369977964 /nfs/dbraw/zinc/97/79/64/369977964.db2.gz FBGLDEKTMMVMJS-KGLIPLIRSA-N 1 0 234.343 1.013 40 0 BDABRO NNc1ccc(-c2nc(C3CC3)no2)c[nH+]1 ZINC000070451565 181518979 /nfs/dbraw/zinc/51/89/79/181518979.db2.gz HUICVYVYJXBWAW-UHFFFAOYSA-N 1 0 217.232 1.295 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000038539902 181579557 /nfs/dbraw/zinc/57/95/57/181579557.db2.gz HHKDIWCFUJSZFU-LLVKDONJSA-N 1 0 226.270 1.888 40 0 BDABRO [NH3+][C@@H]1CCN(c2ncccc2-n2cccc2)C1 ZINC000328579389 181590037 /nfs/dbraw/zinc/59/00/37/181590037.db2.gz FFHKBKGYLPGJKA-LLVKDONJSA-N 1 0 228.299 1.410 40 0 BDABRO COc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1 ZINC000020248655 371252337 /nfs/dbraw/zinc/25/23/37/371252337.db2.gz LBMGSIVSAWHALC-GFCCVEGCSA-N 1 0 220.316 1.618 40 0 BDABRO CCCC[C@H](CC)COC[C@H](O)C[NH3+] ZINC000020513506 371287973 /nfs/dbraw/zinc/28/79/73/371287973.db2.gz ZTFVNXZDADBUST-WDEREUQCSA-N 1 0 203.326 1.539 40 0 BDABRO Cc1ccc(CN2CCC[C@H]([NH3+])C2)cc1 ZINC000020367105 371273503 /nfs/dbraw/zinc/27/35/03/371273503.db2.gz KZCQMEMCNGRKFZ-ZDUSSCGKSA-N 1 0 204.317 1.918 40 0 BDABRO Cc1cncc([C@H](C)O[C@@H]2CC[NH2+]C2)c1 ZINC000252487778 259547239 /nfs/dbraw/zinc/54/72/39/259547239.db2.gz IBNMJHOPSUSNPQ-CMPLNLGQSA-N 1 0 206.289 1.830 40 0 BDABRO CN1C[C@H]([NH3+])[C@H](c2ccccc2Cl)C1 ZINC000216412477 371752065 /nfs/dbraw/zinc/75/20/65/371752065.db2.gz HHFMGYILVGZFJM-ONGXEEELSA-N 1 0 210.708 1.696 40 0 BDABRO C[N@H+]([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000003186780 371905419 /nfs/dbraw/zinc/90/54/19/371905419.db2.gz ZVWSPVSUNHWYMN-NSHDSACASA-N 1 0 231.361 1.438 40 0 BDABRO O=C(CCc1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036236714 181930681 /nfs/dbraw/zinc/93/06/81/181930681.db2.gz JCDMCJMRLMYTEP-UONOGXRCSA-N 1 0 244.338 1.440 40 0 BDABRO O=C(C[C@@H]1CCC[NH2+]C1)N1CCCCCC1 ZINC000054290514 182017243 /nfs/dbraw/zinc/01/72/43/182017243.db2.gz HEKRFGITRQIWFJ-LBPRGKRZSA-N 1 0 224.348 1.779 40 0 BDABRO O=C(C[C@H]1CCC[NH2+]C1)OCC(F)(F)F ZINC000096510326 182028165 /nfs/dbraw/zinc/02/81/65/182028165.db2.gz UGBHFOWBTIOKRK-SSDOTTSWSA-N 1 0 225.210 1.482 40 0 BDABRO Clc1ccc(N[C@H]2CCC[NH2+]C2)nn1 ZINC000040434770 373262171 /nfs/dbraw/zinc/26/21/71/373262171.db2.gz ZXXZVLXIWPBODK-ZETCQYMHSA-N 1 0 212.684 1.294 40 0 BDABRO O=C(NC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000087654684 182243057 /nfs/dbraw/zinc/24/30/57/182243057.db2.gz KEUFRBOTWYKTDC-VIFPVBQESA-N 1 0 238.718 1.679 40 0 BDABRO O=C(N[C@@H]1CC12C[NH2+]C2)OCc1ccccc1 ZINC000255190284 182290503 /nfs/dbraw/zinc/29/05/03/182290503.db2.gz WEBXSECROFKGBF-LLVKDONJSA-N 1 0 232.283 1.275 40 0 BDABRO O=C(Nc1ccccc1)[C@H]1CCC[N@H+]1CCCO ZINC000006241156 182377361 /nfs/dbraw/zinc/37/73/61/182377361.db2.gz RTAZFPUCDXTUAO-CYBMUJFWSA-N 1 0 248.326 1.472 40 0 BDABRO O=C1N(c2ccsc2)CC[C@]12CC[NH2+]C2 ZINC000306139870 182789541 /nfs/dbraw/zinc/78/95/41/182789541.db2.gz UDADNWYEQNAHOS-NSHDSACASA-N 1 0 222.313 1.465 40 0 BDABRO O=C1N[C@H](c2ccccc2)C12CC[NH2+]CC2 ZINC000096244714 182820771 /nfs/dbraw/zinc/82/07/71/182820771.db2.gz DZYZDEDCXWQCCP-LLVKDONJSA-N 1 0 216.284 1.227 40 0 BDABRO O=CNCC1(c2ccccc2)CC[NH2+]CC1 ZINC000001697299 182854528 /nfs/dbraw/zinc/85/45/28/182854528.db2.gz SRILTGVFXCDKLM-UHFFFAOYSA-N 1 0 218.300 1.054 40 0 BDABRO O=C1OC[C@@H]2CC[NH2+]Cc3ccccc3N12 ZINC000225482981 182833933 /nfs/dbraw/zinc/83/39/33/182833933.db2.gz KNRNFSQYCXILMH-JTQLQIEISA-N 1 0 218.256 1.505 40 0 biogenic,in-vitro BDABRO O=c1[nH]nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000096517327 182982127 /nfs/dbraw/zinc/98/21/27/182982127.db2.gz YADNASGDVTZIKJ-JTQLQIEISA-N 1 0 244.298 1.028 40 0 BDABRO OCCO[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079390540 183086019 /nfs/dbraw/zinc/08/60/19/183086019.db2.gz VYINATSXGHFSQT-AWEZNQCLSA-N 1 0 235.327 1.660 40 0 BDABRO OCCc1cc([C@@H]2CCCC[N@@H+]2CC2CC2)[nH]n1 ZINC000072350802 183100124 /nfs/dbraw/zinc/10/01/24/183100124.db2.gz BAHHTGTZNWCQQT-AWEZNQCLSA-N 1 0 249.358 1.882 40 0 BDABRO OC[C@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000001587070 183152744 /nfs/dbraw/zinc/15/27/44/183152744.db2.gz MOAXSRVLHDNZLR-AWEZNQCLSA-N 1 0 235.327 1.517 40 0 BDABRO O[C@@H]1CC[NH2+]C[C@H]1Cc1ccc(Cl)cc1 ZINC000071532595 183200398 /nfs/dbraw/zinc/20/03/98/183200398.db2.gz SFTBSHONMMDZSN-ZYHUDNBSSA-N 1 0 225.719 1.853 40 0 BDABRO O[C@@]12CCCC[C@@H]1C[n+]1ccccc1C2 ZINC000001704545 183218171 /nfs/dbraw/zinc/21/81/71/183218171.db2.gz IXSIAVPKHQVMHL-DGCLKSJQSA-N 1 0 204.293 1.452 40 0 BDABRO O[C@]1(C(F)(F)F)CC[NH2+]CC[C@@H]1F ZINC000261508312 183250496 /nfs/dbraw/zinc/25/04/96/183250496.db2.gz RHNGOAYKQPFGFC-NTSWFWBYSA-N 1 0 201.163 1.001 40 0 BDABRO c1nc([C@H]2CCCC[NH2+]2)n(-c2ccccn2)n1 ZINC000096524339 183387379 /nfs/dbraw/zinc/38/73/79/183387379.db2.gz MBMWMYWCGGRTSI-SNVBAGLBSA-N 1 0 229.287 1.477 40 0 BDABRO CCCOc1ccc([C@@H]2CN(C)C[C@@H]2[NH3+])cc1 ZINC000217662536 169321477 /nfs/dbraw/zinc/32/14/77/169321477.db2.gz IQRLYFZCLWBADM-KBPBESRZSA-N 1 0 234.343 1.832 40 0 BDABRO CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000072849059 169367989 /nfs/dbraw/zinc/36/79/89/169367989.db2.gz OKZLLFUCAQVTBQ-SNVBAGLBSA-N 1 0 212.337 1.633 40 0 BDABRO c1nc2n(c1-c1cccnc1)CC[C@@]21CC[NH2+]C1 ZINC000306138907 183488401 /nfs/dbraw/zinc/48/84/01/183488401.db2.gz SKMKBZMXPSNCCW-CQSZACIVSA-N 1 0 240.310 1.580 40 0 BDABRO c1cncc(COC[C@@H]2CCC[NH2+]C2)c1 ZINC000040434819 183495951 /nfs/dbraw/zinc/49/59/51/183495951.db2.gz JFSBIGCFZPHHAU-GFCCVEGCSA-N 1 0 206.289 1.598 40 0 BDABRO c1cncc(N2CC[C@]3(C2)C2CC[NH+]3CC2)c1 ZINC000003937375 183496467 /nfs/dbraw/zinc/49/64/67/183496467.db2.gz LIWBYJGLHCGRCM-AWEZNQCLSA-N 1 0 229.327 1.756 40 0 BDABRO N[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000035677097 383865567 /nfs/dbraw/zinc/86/55/67/383865567.db2.gz PZUVTQYOKUMPDY-QMMMGPOBSA-N 1 0 204.195 1.664 40 0 BDABRO CCC[C@@H]1[NH2+]CCO[C@@]1(O)c1ccccc1 ZINC000001622220 383915233 /nfs/dbraw/zinc/91/52/33/383915233.db2.gz UXBDYFZMNRGSOT-STQMWFEESA-N 1 0 221.300 1.620 40 0 BDABRO C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CCOC1=O ZINC000001742509 383933657 /nfs/dbraw/zinc/93/36/57/383933657.db2.gz YFNUTVUFJSHKBJ-YPMHNXCESA-N 1 0 233.311 1.770 40 0 BDABRO CC(C)C(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642176 384029144 /nfs/dbraw/zinc/02/91/44/384029144.db2.gz HIPXOEVTIGZJAV-UHFFFAOYSA-N 1 0 231.299 1.690 40 0 BDABRO CC(C)c1noc(-c2ccc[nH+]c2NN)n1 ZINC000070451570 384109272 /nfs/dbraw/zinc/10/92/72/384109272.db2.gz XCYDMCVFIZMPNE-UHFFFAOYSA-N 1 0 219.248 1.541 40 0 BDABRO C[C@H]([NH3+])c1cccnc1Br ZINC000091355932 384120726 /nfs/dbraw/zinc/12/07/26/384120726.db2.gz HSQGKURNDNZGRM-YFKPBYRVSA-N 1 0 201.067 1.864 40 0 BDABRO COC(=O)c1ccccc1CN1CC[NH2+][C@H](C)C1 ZINC000039952500 384123868 /nfs/dbraw/zinc/12/38/68/384123868.db2.gz HENMLACWWZMQIX-LLVKDONJSA-N 1 0 248.326 1.267 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@@H](OCC[NH3+])C1 ZINC000079390626 384133082 /nfs/dbraw/zinc/13/30/82/384133082.db2.gz VNDOMACRDRQKQF-SNVBAGLBSA-N 1 0 244.335 1.361 40 0 BDABRO CN(c1cc(NC2CC2)ncn1)[C@@H]1CCC[NH2+]C1 ZINC000079439543 384146714 /nfs/dbraw/zinc/14/67/14/384146714.db2.gz CHCAJYBKVMGBSL-LLVKDONJSA-N 1 0 247.346 1.239 40 0 BDABRO CC(C)N(Cc1ccsc1)C(=O)C[NH3+] ZINC000079436261 384146878 /nfs/dbraw/zinc/14/68/78/384146878.db2.gz RNBAIVDWGRPVOE-UHFFFAOYSA-N 1 0 212.318 1.444 40 0 BDABRO C[NH2+][C@@H]1CCCC[C@@H]1N(C(C)=O)C1CC1 ZINC000079438248 384147005 /nfs/dbraw/zinc/14/70/05/384147005.db2.gz MRMFGOPARWXEPW-NEPJUHHUSA-N 1 0 210.321 1.528 40 0 BDABRO Cc1cccnc1NC(=S)NCC[NH+](C)C ZINC000007367992 384177164 /nfs/dbraw/zinc/17/71/64/384177164.db2.gz VUGRWAHCDVQMDD-UHFFFAOYSA-N 1 0 238.360 1.238 40 0 BDABRO CCC[C@H]1NC(=[NH2+])NC(C)=C1C(=O)OCC ZINC000408729203 384201264 /nfs/dbraw/zinc/20/12/64/384201264.db2.gz BIIBDDVJNAFMHB-MRVPVSSYSA-N 1 0 225.292 1.120 40 0 BDABRO CCCCCCC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000071978916 384192579 /nfs/dbraw/zinc/19/25/79/384192579.db2.gz LNXZWYZYXWLTGA-NSHDSACASA-N 1 0 212.337 1.777 40 0 BDABRO CCOc1c(C[NH2+]C[C@H](C)O)cccc1OC ZINC000008253474 384198941 /nfs/dbraw/zinc/19/89/41/384198941.db2.gz RTLMAEXWXWLUIE-JTQLQIEISA-N 1 0 239.315 1.564 40 0 BDABRO CC(C)[N@@H+]1CCC[C@H]1c1cc(CCO)n[nH]1 ZINC000072381386 384218015 /nfs/dbraw/zinc/21/80/15/384218015.db2.gz DUMIXPHNIFSMHB-LBPRGKRZSA-N 1 0 223.320 1.490 40 0 BDABRO c1cncc(-c2cnc([C@@H]3CCC[NH2+]3)cn2)c1 ZINC000072386805 384219160 /nfs/dbraw/zinc/21/91/60/384219160.db2.gz HTIRNDSOZOMIST-NSHDSACASA-N 1 0 226.283 1.963 40 0 BDABRO C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000082285476 384222673 /nfs/dbraw/zinc/22/26/73/384222673.db2.gz DQWOOANNVFWGLH-UHFFFAOYSA-N 1 0 228.336 1.853 40 0 BDABRO C[NH2+][C@@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000100266013 384279487 /nfs/dbraw/zinc/27/94/87/384279487.db2.gz WZFJIVAORYKBMY-WDEREUQCSA-N 1 0 220.320 1.221 40 0 BDABRO CC[NH+](CC)CCNCc1cccnc1 ZINC000095212896 384366280 /nfs/dbraw/zinc/36/62/80/384366280.db2.gz WLBMDWQKHXVUEZ-UHFFFAOYSA-N 1 0 207.321 1.513 40 0 BDABRO CN1C(=O)CCC12CC[NH+](Cc1ccco1)CC2 ZINC000096228008 384446365 /nfs/dbraw/zinc/44/63/65/384446365.db2.gz YUVUDMPQKXKZGJ-UHFFFAOYSA-N 1 0 248.326 1.866 40 0 BDABRO O=C1CCC[C@]2(CCC[N@H+](Cc3ccoc3)C2)N1 ZINC000096049933 384430275 /nfs/dbraw/zinc/43/02/75/384430275.db2.gz UBADBJGPDAYBSU-CQSZACIVSA-N 1 0 248.326 1.914 40 0 BDABRO [NH3+][C@]12C[C@H]1CN(C(=O)Nc1cccc(F)c1)C2 ZINC000096082175 384434004 /nfs/dbraw/zinc/43/40/04/384434004.db2.gz CVFJNSUSSZFAFJ-UFBFGSQYSA-N 1 0 235.262 1.391 40 0 BDABRO O=C1CCCC2(CC[NH+](CC3CC3)CC2)N1 ZINC000096158573 384439859 /nfs/dbraw/zinc/43/98/59/384439859.db2.gz JJDSHJDYQDDYKL-UHFFFAOYSA-N 1 0 222.332 1.531 40 0 BDABRO CO[C@H]1CO[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096218347 384442907 /nfs/dbraw/zinc/44/29/07/384442907.db2.gz VEKMASJUMRBDAS-KGLIPLIRSA-N 1 0 248.326 1.461 40 0 BDABRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH2+]CC2 ZINC000096199660 384443977 /nfs/dbraw/zinc/44/39/77/384443977.db2.gz GHRYSJPLDYPNCU-ZDUSSCGKSA-N 1 0 244.338 1.755 40 0 BDABRO CCOc1cc(N2CCC([NH2+]C)CC2)ncn1 ZINC000079438796 384495706 /nfs/dbraw/zinc/49/57/06/384495706.db2.gz KNDZONHBPYNNHJ-UHFFFAOYSA-N 1 0 236.319 1.064 40 0 BDABRO COc1cc(C[NH3+])ccc1[C@@H]1CCNC(=O)C1 ZINC000199775553 384539329 /nfs/dbraw/zinc/53/93/29/384539329.db2.gz SWYCEPHDXUVISZ-SNVBAGLBSA-N 1 0 234.299 1.148 40 0 BDABRO O=C1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000080781036 384581208 /nfs/dbraw/zinc/58/12/08/384581208.db2.gz SLRJFVDHYZWHES-UHFFFAOYSA-N 1 0 201.269 1.852 40 0 BDABRO c1cc(-c2nc(C3CC[NH2+]CC3)no2)ccn1 ZINC000062253262 384616534 /nfs/dbraw/zinc/61/65/34/384616534.db2.gz KIIAEBNUANLOJT-UHFFFAOYSA-N 1 0 230.271 1.599 40 0 BDABRO CCOc1ccccc1C(=O)N1CC[NH2+]C[C@H]1C ZINC000054369720 384835757 /nfs/dbraw/zinc/83/57/57/384835757.db2.gz MWQUVERAWNQTLG-LLVKDONJSA-N 1 0 248.326 1.519 40 0 BDABRO CCCn1cc(-c2nc(C[NH3+])cs2)cn1 ZINC000095093931 384907614 /nfs/dbraw/zinc/90/76/14/384907614.db2.gz HWFWAYMQEJRVTM-UHFFFAOYSA-N 1 0 222.317 1.875 40 0 BDABRO c1ccc(CN2CC[C@]3(CC[NH2+]3)C2)cc1 ZINC000085223545 384927307 /nfs/dbraw/zinc/92/73/07/384927307.db2.gz DMEVQAIDIWCDNI-CYBMUJFWSA-N 1 0 202.301 1.624 40 0 BDABRO CCOC(=O)[C@@H](CN)[C@](C)(CC)[NH+]1CCCC1 ZINC000072210436 385066388 /nfs/dbraw/zinc/06/63/88/385066388.db2.gz DDUUSFCOUXACEG-YPMHNXCESA-N 1 0 242.363 1.389 40 0 BDABRO CNc1ncccc1[C@@H]1CCCN1C=O ZINC000072212523 385074584 /nfs/dbraw/zinc/07/45/84/385074584.db2.gz FHSHWGXNNHVZDQ-JTQLQIEISA-N 1 0 205.261 1.417 40 0 BDABRO CCSc1ncc(C[NH2+]C2CC2)cn1 ZINC000062717310 385034812 /nfs/dbraw/zinc/03/48/12/385034812.db2.gz LRQKAACANMDVQT-UHFFFAOYSA-N 1 0 209.318 1.841 40 0 BDABRO C[NH+](C)CCCNC(=O)Cc1ccccc1 ZINC000005508971 385038312 /nfs/dbraw/zinc/03/83/12/385038312.db2.gz VUYIURWVMWMFHR-UHFFFAOYSA-N 1 0 220.316 1.297 40 0 BDABRO CC(C)[C@H]([NH3+])c1nc(-c2ccccc2O)n[nH]1 ZINC000095534702 385045883 /nfs/dbraw/zinc/04/58/83/385045883.db2.gz QNDSYVPYARQCKL-JTQLQIEISA-N 1 0 232.287 1.833 40 0 BDABRO CC[NH+]1CCN(c2ncc([C@@H](C)O)cc2C)CC1 ZINC000072222585 385109825 /nfs/dbraw/zinc/10/98/25/385109825.db2.gz ZSUVPGWMEVXJLL-GFCCVEGCSA-N 1 0 249.358 1.585 40 0 BDABRO CC[C@H](O)c1ccc(N2CC[NH+](C)CC2)nc1C ZINC000072224648 385119192 /nfs/dbraw/zinc/11/91/92/385119192.db2.gz PPSLWNIGHINIJG-ZDUSSCGKSA-N 1 0 249.358 1.585 40 0 BDABRO CC(C)[NH+]1CCN(c2ccc(CCO)cn2)CC1 ZINC000072225624 385125570 /nfs/dbraw/zinc/12/55/70/385125570.db2.gz VSLHIWYSBGDKOE-UHFFFAOYSA-N 1 0 249.358 1.147 40 0 BDABRO C[C@H]([NH3+])c1c2c(c[nH]c1=O)CCCCC2 ZINC000072226580 385129108 /nfs/dbraw/zinc/12/91/08/385129108.db2.gz RWVIADQQRKKITF-QMMMGPOBSA-N 1 0 206.289 1.664 40 0 BDABRO Cc1c(C[NH3+])nnn1Cc1ccccc1F ZINC000062287122 385091013 /nfs/dbraw/zinc/09/10/13/385091013.db2.gz DDAIHNGMUYHSDX-UHFFFAOYSA-N 1 0 220.251 1.233 40 0 BDABRO C[N@@H+]1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216208 385094534 /nfs/dbraw/zinc/09/45/34/385094534.db2.gz PUNXHKFQQMQDFK-ZDUSSCGKSA-N 1 0 247.342 1.685 40 0 BDABRO CC(C)CS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000072220984 385096061 /nfs/dbraw/zinc/09/60/61/385096061.db2.gz OCZCPJTUYGTSQB-UHFFFAOYSA-N 1 0 227.329 1.575 40 0 BDABRO COc1ccc(CC(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000062623163 385177574 /nfs/dbraw/zinc/17/75/74/385177574.db2.gz WLYWWDJDCIJLST-LLVKDONJSA-N 1 0 248.326 1.058 40 0 BDABRO CC(C)COC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000082258292 385206601 /nfs/dbraw/zinc/20/66/01/385206601.db2.gz PHMWFZVWPFLZFX-LBPRGKRZSA-N 1 0 226.320 1.464 40 0 BDABRO Cc1nc(C2CC2)cc(N2CC[C@H]([NH3+])C2)n1 ZINC000096516911 385256795 /nfs/dbraw/zinc/25/67/95/385256795.db2.gz JYUJLBGXOCTSEG-JTQLQIEISA-N 1 0 218.304 1.200 40 0 BDABRO CC(C)n1cccc([C@H]2CCC[NH2+]2)c1=O ZINC000096510369 385250207 /nfs/dbraw/zinc/25/02/07/385250207.db2.gz LHVOHPUJWYQEOP-LLVKDONJSA-N 1 0 206.289 1.854 40 0 BDABRO [NH3+]C[C@@H]1CCCCN1Cc1n[nH]c2ccccc21 ZINC000096523585 385267770 /nfs/dbraw/zinc/26/77/70/385267770.db2.gz XZCRXMGYIPEODM-NSHDSACASA-N 1 0 244.342 1.876 40 0 BDABRO Cc1noc(C)c1CCN(C)C[C@@H]1CCC[NH2+]1 ZINC000096523684 385268979 /nfs/dbraw/zinc/26/89/79/385268979.db2.gz GNTLPJZWWMNSNH-LBPRGKRZSA-N 1 0 237.347 1.518 40 0 BDABRO c1nc2ccccc2n1CCCN1CC[NH2+]CC1 ZINC000096523646 385269282 /nfs/dbraw/zinc/26/92/82/385269282.db2.gz GZAHSFIPVBWKGY-UHFFFAOYSA-N 1 0 244.342 1.332 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1cccc(C)c1 ZINC000096524850 385276878 /nfs/dbraw/zinc/27/68/78/385276878.db2.gz CUAMCGFUXCZKCP-ZYHUDNBSSA-N 1 0 241.356 1.818 40 0 BDABRO CC[C@H]([C@H]([NH3+])C(C)(C)C)S(C)(=O)=O ZINC000096524916 385278014 /nfs/dbraw/zinc/27/80/14/385278014.db2.gz ZFNBSYOTISBHDD-SFYZADRCSA-N 1 0 207.339 1.183 40 0 BDABRO O=C1N[C@]2(C[C@H]3CC[C@@H]2[NH2+]3)Nc2ccccc21 ZINC000013568160 385351344 /nfs/dbraw/zinc/35/13/44/385351344.db2.gz ZSRFQAUXAHSYLG-WLTAIBSBSA-N 1 0 229.283 1.063 40 0 BDABRO Cc1ccc(C[NH3+])c(OCC(F)F)n1 ZINC000095097308 385422462 /nfs/dbraw/zinc/42/24/62/385422462.db2.gz JMRQGFRMDBQFIE-UHFFFAOYSA-N 1 0 202.204 1.493 40 0 BDABRO COC(=O)[C@H](C[NH3+])Cc1ccc(Cl)cc1 ZINC000095097690 385444595 /nfs/dbraw/zinc/44/45/95/385444595.db2.gz DUZFSXMZMLULFP-VIFPVBQESA-N 1 0 227.691 1.630 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1ccc(F)cc1 ZINC000075418437 385449772 /nfs/dbraw/zinc/44/97/72/385449772.db2.gz OZNZRGYPCXWEAQ-KWQFWETISA-N 1 0 245.319 1.649 40 0 BDABRO Cc1noc([C@@H]2C[NH2+]C[C@@H]2c2ccncc2)n1 ZINC000328579660 385491286 /nfs/dbraw/zinc/49/12/86/385491286.db2.gz VHIZWNVFBADBKK-GHMZBOCLSA-N 1 0 230.271 1.244 40 0 BDABRO Cc1ccc([C@@H]2C[C@]2(C[NH3+])CO)cc1C ZINC000062713712 385698627 /nfs/dbraw/zinc/69/86/27/385698627.db2.gz CYPVXWQTWKVUFC-STQMWFEESA-N 1 0 205.301 1.728 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)CC1 ZINC000255189945 385712722 /nfs/dbraw/zinc/71/27/22/385712722.db2.gz TXEBCWVHHRLNBX-HAQNSBGRSA-N 1 0 236.290 1.825 40 0 BDABRO O=C(c1cnco1)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257213047 385753647 /nfs/dbraw/zinc/75/36/47/385753647.db2.gz CFYWXLULTLPHOS-WDEREUQCSA-N 1 0 249.314 1.279 40 0 BDABRO CO[C@H]1C[N@@H+](C(C)C)CC[C@@]12CCCO2 ZINC000257213753 385753824 /nfs/dbraw/zinc/75/38/24/385753824.db2.gz CIYRXXZBJSOFFZ-RYUDHWBXSA-N 1 0 213.321 1.665 40 0 BDABRO Cc1cccc(C2CC[NH+](CCO)CC2)n1 ZINC000257279348 385758255 /nfs/dbraw/zinc/75/82/55/385758255.db2.gz OGEVBXNSWGLEBE-UHFFFAOYSA-N 1 0 220.316 1.562 40 0 BDABRO Cc1c[nH]nc1[C@@]1(C)C[N@H+](CC(C)C)CCO1 ZINC000257267988 385758756 /nfs/dbraw/zinc/75/87/56/385758756.db2.gz MJUITYRJHDJGAI-CYBMUJFWSA-N 1 0 237.347 1.922 40 0 BDABRO Cc1nc([C@@H]2CCC[NH2+]2)cc(N2CCOCC2)n1 ZINC000257277508 385758774 /nfs/dbraw/zinc/75/87/74/385758774.db2.gz NYFXMTRHUYTGFS-NSHDSACASA-N 1 0 248.330 1.046 40 0 BDABRO Cn1ccnc1-c1cnc(C2CC[NH2+]CC2)cn1 ZINC000257300253 385761336 /nfs/dbraw/zinc/76/13/36/385761336.db2.gz RTQGYOMNWSEXPS-UHFFFAOYSA-N 1 0 243.314 1.344 40 0 BDABRO Cn1cccc1C[N@@H+]1CC[C@H](c2cc[nH]n2)C1 ZINC000257305978 385762024 /nfs/dbraw/zinc/76/20/24/385762024.db2.gz SSIFOJVDHHCWRA-NSHDSACASA-N 1 0 230.315 1.738 40 0 BDABRO Cc1cc(C)nc([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000257295915 385762139 /nfs/dbraw/zinc/76/21/39/385762139.db2.gz RALIEGDJDCHAIT-LBPRGKRZSA-N 1 0 235.331 1.265 40 0 BDABRO O=C(CC1CC1)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257343619 385766534 /nfs/dbraw/zinc/76/65/34/385766534.db2.gz ZTTBOSKNOCYZCE-QWHCGFSZSA-N 1 0 236.359 1.777 40 0 BDABRO c1cnc(N2CCC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000257697675 385773097 /nfs/dbraw/zinc/77/30/97/385773097.db2.gz KOXIQDDHDRTARB-LBPRGKRZSA-N 1 0 218.304 1.057 40 0 BDABRO COC(=O)c1ccc2c(c1)[C@]1(CC[NH2+]1)CCC2 ZINC000306145388 385995352 /nfs/dbraw/zinc/99/53/52/385995352.db2.gz CYZRVWBRMOEOLR-CQSZACIVSA-N 1 0 231.295 1.998 40 0 BDABRO Cc1ccc2c(c1)CC[C@]21COCC[NH2+]1 ZINC000306145468 385993690 /nfs/dbraw/zinc/99/36/90/385993690.db2.gz GAKWBNMOAPWBQT-ZDUSSCGKSA-N 1 0 203.285 1.756 40 0 BDABRO COC(=O)c1ccc2c(c1)[C@@]1(CC[NH2+]1)CCC2 ZINC000306145387 385994326 /nfs/dbraw/zinc/99/43/26/385994326.db2.gz CYZRVWBRMOEOLR-AWEZNQCLSA-N 1 0 231.295 1.998 40 0 BDABRO [NH3+]CCCc1csc(-c2cnccn2)n1 ZINC000218330340 386039778 /nfs/dbraw/zinc/03/97/78/386039778.db2.gz ZQVGPGOXEAMJMG-UHFFFAOYSA-N 1 0 220.301 1.491 40 0 BDABRO FC(F)(F)c1cc(O[C@@H]2CC[NH2+]C2)ncn1 ZINC000098213943 386236140 /nfs/dbraw/zinc/23/61/40/386236140.db2.gz DBWYKTDGFGKBKK-ZCFIWIBFSA-N 1 0 233.193 1.236 40 0 BDABRO [NH3+]Cc1nnc2ccc(-c3ccccc3)nn21 ZINC000058021708 386291291 /nfs/dbraw/zinc/29/12/91/386291291.db2.gz YPHJBEMWJNBPJH-UHFFFAOYSA-N 1 0 225.255 1.250 40 0 BDABRO [NH3+][C@H]1CCC[C@H]1NCc1ccc2c(c1)OCO2 ZINC000218872000 386427445 /nfs/dbraw/zinc/42/74/45/386427445.db2.gz SWMLYUSDTCZHHV-WDEREUQCSA-N 1 0 234.299 1.385 40 0 BDABRO Cc1noc([C@@H]2C[NH2+]C[C@H]2c2cccs2)n1 ZINC000328579462 386528379 /nfs/dbraw/zinc/52/83/79/386528379.db2.gz JSOYNKZEHUNFPH-RKDXNWHRSA-N 1 0 235.312 1.910 40 0 BDABRO Cn1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000124703028 386680019 /nfs/dbraw/zinc/68/00/19/386680019.db2.gz DWWJRXIYRTUOAW-PWSUYJOCSA-N 1 0 222.336 1.027 40 0 BDABRO COC[C@@H]1C[N@@H+](C2CCCC2)Cc2c1cnn2C ZINC000248005964 386741869 /nfs/dbraw/zinc/74/18/69/386741869.db2.gz CAADBDANYAYVHZ-NSHDSACASA-N 1 0 249.358 1.908 40 0 BDABRO COC(=O)C[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000057515753 386773918 /nfs/dbraw/zinc/77/39/18/386773918.db2.gz IPRUWHKJTNZXTO-JTQLQIEISA-N 1 0 223.272 1.301 40 0 BDABRO CCn1ncc2c1C[C@@H](C(N)=[NH2+])CCC2 ZINC000575422208 387033454 /nfs/dbraw/zinc/03/34/54/387033454.db2.gz ALFFWJZUTZGAMW-QMMMGPOBSA-N 1 0 206.293 1.334 40 0 BDABRO CCn1cc(C[N@H+](CC)CCCCC[NH3+])cn1 ZINC000096523838 387039759 /nfs/dbraw/zinc/03/97/59/387039759.db2.gz OHZLFPSFWAEHGI-UHFFFAOYSA-N 1 0 238.379 1.854 40 0 BDABRO Cc1occc1C(=O)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096054056 387014995 /nfs/dbraw/zinc/01/49/95/387014995.db2.gz OIABGQBHHAZYAP-KOLCDFICSA-N 1 0 220.272 1.022 40 0 BDABRO CC(C)Cn1c(=O)ccc2c1CC[C@@H]([NH3+])C2 ZINC000096086843 387018070 /nfs/dbraw/zinc/01/80/70/387018070.db2.gz GBKGZYCERYCBIP-LLVKDONJSA-N 1 0 220.316 1.320 40 0 BDABRO O=C1NC2(C[C@H]1c1ccccc1)CC[NH2+]CC2 ZINC000096261127 387026494 /nfs/dbraw/zinc/02/64/94/387026494.db2.gz BWRNAQWQNXPJEF-LBPRGKRZSA-N 1 0 230.311 1.412 40 0 BDABRO c1cncc(O[C@H]2COCC[N@@H+](C3CCC3)C2)c1 ZINC000085435990 387453855 /nfs/dbraw/zinc/45/38/55/387453855.db2.gz NBOIKNCFWMXWDA-CQSZACIVSA-N 1 0 248.326 1.714 40 0 biogenic,in-vitro BDABRO [NH3+][C@@H]1C2CCN(CC2)[C@H]1Cc1ccccc1 ZINC000138644153 387708573 /nfs/dbraw/zinc/70/85/73/387708573.db2.gz XPPMDYURPXXBHC-UONOGXRCSA-N 1 0 216.328 1.651 40 0 BDABRO Cn1nccc1C[NH2+]Cc1cccc(O)c1 ZINC000020352536 387850264 /nfs/dbraw/zinc/85/02/64/387850264.db2.gz QCMDRQBXXOGEFF-UHFFFAOYSA-N 1 0 217.272 1.416 40 0 BDABRO CCCn1nccc1C[NH2+]CCCOCC ZINC000164827215 387853005 /nfs/dbraw/zinc/85/30/05/387853005.db2.gz DIQUMCNPNCEZBW-UHFFFAOYSA-N 1 0 225.336 1.809 40 0 BDABRO CC[NH+](CC)CCCNCc1cc(C)nn1C ZINC000089182336 387855014 /nfs/dbraw/zinc/85/50/14/387855014.db2.gz OAZKIUBKGYFFEY-UHFFFAOYSA-N 1 0 238.379 1.550 40 0 BDABRO CCCn1cc(C[NH2+]Cc2cn(C)nc2C)cn1 ZINC000233424890 387856362 /nfs/dbraw/zinc/85/63/62/387856362.db2.gz LPOAXRWLNRMATJ-UHFFFAOYSA-N 1 0 247.346 1.625 40 0 BDABRO CC(C)n1cc(C[NH2+]Cc2cnn(C)c2)cn1 ZINC000226242249 387856394 /nfs/dbraw/zinc/85/63/94/387856394.db2.gz NTRWIDRXPQONBO-UHFFFAOYSA-N 1 0 233.319 1.487 40 0 BDABRO CC(C)n1nccc1C[NH2+]CCN(C)C ZINC000256051365 387857796 /nfs/dbraw/zinc/85/77/96/387857796.db2.gz IWIJZUMMSNEXCS-UHFFFAOYSA-N 1 0 210.325 1.115 40 0 BDABRO [NH3+][C@H]1CCN(CCOc2ccc(Cl)cc2)C1 ZINC000050242954 387932280 /nfs/dbraw/zinc/93/22/80/387932280.db2.gz RFZQQVNYGMLHGX-NSHDSACASA-N 1 0 240.734 1.752 40 0 BDABRO CC1(COCC[C@H]2CCCC[NH2+]2)COC1 ZINC000095095630 256641264 /nfs/dbraw/zinc/64/12/64/256641264.db2.gz GLDXBLBMAAIICI-LLVKDONJSA-N 1 0 213.321 1.572 40 0 BDABRO [NH3+]CCc1cnc(-c2ncccn2)s1 ZINC000218360042 388389214 /nfs/dbraw/zinc/38/92/14/388389214.db2.gz FTTVSBGGBCKMBS-UHFFFAOYSA-N 1 0 206.274 1.101 40 0 BDABRO COC(=O)c1cc2c(nc1Cl)CC[NH2+]C2 ZINC000090513314 388653534 /nfs/dbraw/zinc/65/35/34/388653534.db2.gz ABMYEXLGLUGBSM-UHFFFAOYSA-N 1 0 226.663 1.167 40 0 BDABRO C[NH2+]C[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000252492947 388653582 /nfs/dbraw/zinc/65/35/82/388653582.db2.gz MYCOBMTYLKGGMC-DTWKUNHWSA-N 1 0 232.299 1.553 40 0 BDABRO CCO[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000062711895 388654992 /nfs/dbraw/zinc/65/49/92/388654992.db2.gz URLHMZDLAUWGOM-GFCCVEGCSA-N 1 0 223.272 1.494 40 0 BDABRO Nc1ncc(C[NH2+]Cc2cccs2)cn1 ZINC000062717365 388655815 /nfs/dbraw/zinc/65/58/15/388655815.db2.gz KPGQORGGMWKNMU-UHFFFAOYSA-N 1 0 220.301 1.410 40 0 BDABRO Cc1noc(C)c1CCN1CCC[C@@H]([NH3+])C1 ZINC000075151753 388657280 /nfs/dbraw/zinc/65/72/80/388657280.db2.gz FGDGVLPOMXFIEU-LLVKDONJSA-N 1 0 223.320 1.257 40 0 BDABRO CN(C)c1nc([C@H]2CCC[NH2+]C2)cn2cccc12 ZINC000257322555 388698021 /nfs/dbraw/zinc/69/80/21/388698021.db2.gz WGKPNHUEPZAPTJ-NSHDSACASA-N 1 0 244.342 1.867 40 0 BDABRO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+]C2 ZINC000257316819 388698122 /nfs/dbraw/zinc/69/81/22/388698122.db2.gz VHDLQTFEOLWRRQ-QNWHQSFQSA-N 1 0 222.332 1.528 40 0 BDABRO CCCc1noc([C@H]2CCC[NH2+]CC2)n1 ZINC000095095436 388759967 /nfs/dbraw/zinc/75/99/67/388759967.db2.gz SEBCWEFAGODWDU-VIFPVBQESA-N 1 0 209.293 1.879 40 0 BDABRO [NH3+][C@H]1CCCc2[nH]nc(-c3ccncc3)c21 ZINC000096511234 388821445 /nfs/dbraw/zinc/82/14/45/388821445.db2.gz WHRIHWRDWGFZGW-VIFPVBQESA-N 1 0 214.272 1.808 40 0 BDABRO Cc1cc(-c2cnc(C[C@H]3CC[NH2+]C3)cn2)n[nH]1 ZINC000257321069 177687357 /nfs/dbraw/zinc/68/73/57/177687357.db2.gz VZYWMXJLYKXBAN-SNVBAGLBSA-N 1 0 243.314 1.327 40 0 BDABRO Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000004203041 132316031 /nfs/dbraw/zinc/31/60/31/132316031.db2.gz OWNLZVDXQOGVDK-UHFFFAOYSA-N 1 0 245.248 1.697 40 0 BDABRO CC[NH+]1CCN(c2ccc(N)c(F)c2)CC1 ZINC000039102455 132346374 /nfs/dbraw/zinc/34/63/74/132346374.db2.gz ICUCGMJXHQEANC-UHFFFAOYSA-N 1 0 223.295 1.550 40 0 BDABRO Nc1ccc(N2CC[NH2+]CC2)c(Cl)c1 ZINC000041138944 132349444 /nfs/dbraw/zinc/34/94/44/132349444.db2.gz AYFVRBCMOJCHKE-UHFFFAOYSA-N 1 0 211.696 1.332 40 0 BDABRO [NH3+]CC1CCN(c2ncnc3ccccc32)CC1 ZINC000044514871 132354358 /nfs/dbraw/zinc/35/43/58/132354358.db2.gz XAYBKZRJOWZFSZ-UHFFFAOYSA-N 1 0 242.326 1.805 40 0 BDABRO [NH3+]C[C@@H]1CCCCN1c1ncc(Cl)cn1 ZINC000072203254 132396425 /nfs/dbraw/zinc/39/64/25/132396425.db2.gz QQBLHQYGTHBTTL-VIFPVBQESA-N 1 0 226.711 1.448 40 0 BDABRO CCN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1=O ZINC000306126094 135368742 /nfs/dbraw/zinc/36/87/42/135368742.db2.gz DMMGNBUJTVRMAO-HIFRSBDPSA-N 1 0 244.338 1.612 40 0 BDABRO CN(C)[C@H](C[NH3+])c1cc(F)ccc1F ZINC000037233533 397991077 /nfs/dbraw/zinc/99/10/77/397991077.db2.gz ORBWMQQOWMHLDT-SNVBAGLBSA-N 1 0 200.232 1.526 40 0 BDABRO Cc1cnc2cc3[nH+]c(N)n(C)c3cc2n1 ZINC000203455124 397981955 /nfs/dbraw/zinc/98/19/55/397981955.db2.gz VDYWCSWBQPTHDB-UHFFFAOYSA-N 1 0 213.244 1.407 40 0 BDABRO CC(C)CN1CC[NH2+]Cc2cccnc21 ZINC000096260842 166971393 /nfs/dbraw/zinc/97/13/93/166971393.db2.gz JWMYWDOIGLYGFN-UHFFFAOYSA-N 1 0 205.305 1.647 40 0 BDABRO CC(C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000019488740 167065307 /nfs/dbraw/zinc/06/53/07/167065307.db2.gz DNFMVEOKVINWDT-LLVKDONJSA-N 1 0 206.289 1.601 40 0 BDABRO CC(C)[NH2+]C[C@H](O)COc1ccc(C=O)cc1 ZINC000022060833 167115126 /nfs/dbraw/zinc/11/51/26/167115126.db2.gz BGHLBXLHZRCXRY-LBPRGKRZSA-N 1 0 237.299 1.237 40 0 in-vitro BDABRO CC(C)Nc1nc(N(C)C)nc(NC(C)C)[nH+]1 ZINC000000856857 167150346 /nfs/dbraw/zinc/15/03/46/167150346.db2.gz YVOCENWGCCYARJ-UHFFFAOYSA-N 1 0 238.339 1.578 40 0 BDABRO CC[NH+](CC)CCn1cnc2ccccc2c1=O ZINC000001686960 169784956 /nfs/dbraw/zinc/78/49/56/169784956.db2.gz FTJRCOVCWNNAJG-UHFFFAOYSA-N 1 0 245.326 1.738 40 0 BDABRO CC(C)O[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000062711786 167283090 /nfs/dbraw/zinc/28/30/90/167283090.db2.gz QMQPWQOBJDKJJU-CYBMUJFWSA-N 1 0 237.299 1.883 40 0 BDABRO CC[NH2+]C[C@@H](O)Cc1ccccc1OC ZINC000006385325 170119092 /nfs/dbraw/zinc/11/90/92/170119092.db2.gz GFESGUKBPXYLMA-NSHDSACASA-N 1 0 209.289 1.208 40 0 BDABRO CC[NH2+]C[C@H](O)c1ncccc1Br ZINC000217529866 170122797 /nfs/dbraw/zinc/12/27/97/170122797.db2.gz AZZDBMOKRAXVJB-QMMMGPOBSA-N 1 0 245.120 1.487 40 0 BDABRO CC[NH2+]Cc1cnn(CC(F)F)c1C ZINC000256051936 170130676 /nfs/dbraw/zinc/13/06/76/170130676.db2.gz LEAYWRZLJVDCOM-UHFFFAOYSA-N 1 0 203.236 1.566 40 0 BDABRO CC[NH2+][C@@H]1CN(c2ccc(OC)cc2)C1=O ZINC000217461448 170153775 /nfs/dbraw/zinc/15/37/75/170153775.db2.gz BNOJAFRZNXZSIQ-LLVKDONJSA-N 1 0 220.272 1.020 40 0 BDABRO CCOC(=O)C1[C@H]2CCCC(=O)C2O[N+]1=O ZINC000102945001 170191997 /nfs/dbraw/zinc/19/19/97/170191997.db2.gz AQWYBGVONYNHMP-ZCFIWIBFSA-N 1 0 227.216 1.016 40 0 BDABRO CCOC(=O)[C@H](C[NH2+]C)Cc1cccc(C)c1 ZINC000012649794 170273235 /nfs/dbraw/zinc/27/32/35/170273235.db2.gz AKJNNENPVDCYPU-ZDUSSCGKSA-N 1 0 235.327 1.936 40 0 BDABRO CCOCCCN1CC[NH2+][C@H]2CCC[C@H]21 ZINC000218841977 170373581 /nfs/dbraw/zinc/37/35/81/170373581.db2.gz XMJKNXPALFVAJK-NWDGAFQWSA-N 1 0 212.337 1.239 40 0 BDABRO CCO[C@H](C[NH2+]C)c1ccc(OC)cc1 ZINC000050481927 170504708 /nfs/dbraw/zinc/50/47/08/170504708.db2.gz KBLVIJKAFBDFFK-GFCCVEGCSA-N 1 0 209.289 1.992 40 0 BDABRO CC[C@@H]1SC2(CC[NH+](C)CC2)NC1=O ZINC000013816318 171153877 /nfs/dbraw/zinc/15/38/77/171153877.db2.gz PHOZOHFUXHPOCK-QMMMGPOBSA-N 1 0 214.334 1.050 40 0 in-vitro BDABRO CC[C@H](C)[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC000096182415 171320621 /nfs/dbraw/zinc/32/06/21/171320621.db2.gz DIQNSVREYBENEC-RWMBFGLXSA-N 1 0 246.358 1.643 40 0 BDABRO CC[C@H](CO)[NH2+]Cc1ccccc1OC ZINC000005908196 171452168 /nfs/dbraw/zinc/45/21/68/171452168.db2.gz CYMCBJLCVNROQG-LLVKDONJSA-N 1 0 209.289 1.556 40 0 BDABRO CC[C@H]([NH3+])COCc1ccc(OC)cc1 ZINC000074530237 171485874 /nfs/dbraw/zinc/48/58/74/171485874.db2.gz NAQNFYAVFFCPBL-NSHDSACASA-N 1 0 209.289 1.949 40 0 BDABRO CCn1cc(C2(OC)CC[NH2+]CC2)cn1 ZINC000096525688 172157969 /nfs/dbraw/zinc/15/79/69/172157969.db2.gz BRNHMIZITBINAS-UHFFFAOYSA-N 1 0 209.293 1.128 40 0 BDABRO CN(C)C(=O)C[C@H](C[NH3+])c1ccccc1 ZINC000057494138 172374971 /nfs/dbraw/zinc/37/49/71/172374971.db2.gz LBHCYAOJKODXGR-LLVKDONJSA-N 1 0 206.289 1.207 40 0 BDABRO C[NH+](C)[C@@H](c1cccnc1)C1COCOC1 ZINC000000000241 172523009 /nfs/dbraw/zinc/52/30/09/172523009.db2.gz SMZVRZPJXBGNFT-LBPRGKRZSA-N 1 0 222.288 1.305 40 0 in-man BDABRO CN(C[C@@H]1CCCC[NH2+]1)C(=O)OC(C)(C)C ZINC000079437565 172808846 /nfs/dbraw/zinc/80/88/46/172808846.db2.gz LTMLIVOSJQDOAG-JTQLQIEISA-N 1 0 228.336 1.995 40 0 BDABRO C[NH+]1CCC(Oc2cccc(N)c2)CC1 ZINC000031978403 173000855 /nfs/dbraw/zinc/00/08/55/173000855.db2.gz KEMAETWBRDLVRA-UHFFFAOYSA-N 1 0 206.289 1.742 40 0 BDABRO CNC(=O)[C@]1(CCCc2ccccn2)CCC[NH2+]1 ZINC000072343773 173308879 /nfs/dbraw/zinc/30/88/79/173308879.db2.gz GBWCTTHXPIDSHR-AWEZNQCLSA-N 1 0 247.342 1.273 40 0 BDABRO C[NH2+]C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000076675799 173321226 /nfs/dbraw/zinc/32/12/26/173321226.db2.gz FVKGJPQRYGYANU-UHFFFAOYSA-N 1 0 228.336 1.995 40 0 BDABRO C[NH2+]CCCNCc1ccccc1OC ZINC000057362442 173349489 /nfs/dbraw/zinc/34/94/89/173349489.db2.gz XIRCJZZAXJOJRL-UHFFFAOYSA-N 1 0 208.305 1.394 40 0 BDABRO C[NH2+]CCCNCc1ccc(OC)cc1OC ZINC000008377126 173349778 /nfs/dbraw/zinc/34/97/78/173349778.db2.gz LHLNPWPYTLKPQF-UHFFFAOYSA-N 1 0 238.331 1.403 40 0 BDABRO C[NH2+]C[C@@H](OC)c1ccc2c(c1)OCCO2 ZINC000062711462 173366774 /nfs/dbraw/zinc/36/67/74/173366774.db2.gz GQJWWYBDPBQDGF-GFCCVEGCSA-N 1 0 223.272 1.365 40 0 BDABRO C[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000022910243 173369866 /nfs/dbraw/zinc/36/98/66/173369866.db2.gz GSXQCTVTYCDGDP-ZDUSSCGKSA-N 1 0 204.317 1.870 40 0 BDABRO C[NH2+]C[C@H](O)c1cn(C)c2ccccc12 ZINC000001843268 173377594 /nfs/dbraw/zinc/37/75/94/173377594.db2.gz XJRPLWKYLPMRIN-LBPRGKRZSA-N 1 0 204.273 1.431 40 0 BDABRO C[NH2+]C[C@H](OC)c1ccc(OC)c(OC)c1 ZINC000014584743 173378042 /nfs/dbraw/zinc/37/80/42/173378042.db2.gz DYEDYZOGYUEUAY-LBPRGKRZSA-N 1 0 225.288 1.611 40 0 BDABRO C[NH2+]C[C@H]1C[C@@H]1CN1CCc2ccccc21 ZINC000096509390 173382612 /nfs/dbraw/zinc/38/26/12/173382612.db2.gz YIRZXPHYFPJYHG-CHWSQXEVSA-N 1 0 216.328 1.905 40 0 BDABRO C[NH2+]Cc1cc(C)n(CCCOC)c1C ZINC000223660715 173385714 /nfs/dbraw/zinc/38/57/14/173385714.db2.gz LRYOQNQUSOEHJS-UHFFFAOYSA-N 1 0 210.321 1.861 40 0 BDABRO COCCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000256051604 174248008 /nfs/dbraw/zinc/24/80/08/174248008.db2.gz JVAOAYHHYMWDJL-UHFFFAOYSA-N 1 0 233.262 1.274 40 0 BDABRO COCCN(C)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000041287761 174282405 /nfs/dbraw/zinc/28/24/05/174282405.db2.gz WKUQBDDWCPGCDB-LBPRGKRZSA-N 1 0 242.750 1.918 40 0 BDABRO COCC[N@@H+]1CCC[C@@H]1c1cncc(C)n1 ZINC000072357056 174307408 /nfs/dbraw/zinc/30/74/08/174307408.db2.gz ZJZQUAUILANNCL-GFCCVEGCSA-N 1 0 221.304 1.568 40 0 BDABRO CO[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096048146 174900298 /nfs/dbraw/zinc/90/02/98/174900298.db2.gz VQNZPLDKSBGMOO-GFCCVEGCSA-N 1 0 225.332 1.666 40 0 BDABRO COc1cc(OC)c([C@H]2C[C@H]2[NH3+])c(OC)c1 ZINC000037381192 175007835 /nfs/dbraw/zinc/00/78/35/175007835.db2.gz PSZZKLQZWAAUIU-DTWKUNHWSA-N 1 0 223.272 1.527 40 0 BDABRO COc1cc(O[C@H]2CCC[NH2+]C2)ccn1 ZINC000095483697 175013501 /nfs/dbraw/zinc/01/35/01/175013501.db2.gz LNYDGTFNMZASHI-JTQLQIEISA-N 1 0 208.261 1.221 40 0 BDABRO COc1cc([C@@H](O)C[NH2+]C(C)(C)C)ccc1O ZINC000077302678 175015467 /nfs/dbraw/zinc/01/54/67/175015467.db2.gz WVGNWNYBARIPKQ-NSHDSACASA-N 1 0 239.315 1.822 40 0 in-vitro BDABRO COc1cc2c(cc1C[C@@H](C)[NH3+])OCO2 ZINC000006036800 175021743 /nfs/dbraw/zinc/02/17/43/175021743.db2.gz GPVJAXJRAZVITB-SSDOTTSWSA-N 1 0 209.245 1.314 40 0 in-vitro BDABRO COc1ccc(-c2cc(C[NH3+])[nH]n2)cc1 ZINC000020270445 175031818 /nfs/dbraw/zinc/03/18/18/175031818.db2.gz TYSAFHOMPPQUSM-UHFFFAOYSA-N 1 0 203.245 1.544 40 0 BDABRO COc1ccc(-c2ccnn2CC[NH3+])cc1 ZINC000096527673 175036186 /nfs/dbraw/zinc/03/61/86/175036186.db2.gz XAXFHZXXIPQMKF-UHFFFAOYSA-N 1 0 217.272 1.517 40 0 BDABRO COc1ccc(Br)cc1[C@H](N)C[NH3+] ZINC000035676944 175051126 /nfs/dbraw/zinc/05/11/26/175051126.db2.gz ATBIEYPQQNXRMC-MRVPVSSYSA-N 1 0 245.120 1.416 40 0 BDABRO COc1ccc(C)cc1C[NH2+]C[C@@H](C)O ZINC000035161899 175075957 /nfs/dbraw/zinc/07/59/57/175075957.db2.gz JYAUCPKQAMDYSO-SNVBAGLBSA-N 1 0 209.289 1.474 40 0 BDABRO COc1ccc(CC2(C[NH3+])CCOCC2)cc1 ZINC000083351125 175087962 /nfs/dbraw/zinc/08/79/62/175087962.db2.gz PCPWPOTZYWLRHY-UHFFFAOYSA-N 1 0 235.327 1.993 40 0 BDABRO COc1ccc(C[NH2+]Cc2cnn(C)c2)cc1 ZINC000002536042 175108253 /nfs/dbraw/zinc/10/82/53/175108253.db2.gz VSGAXSYJAKVQPX-UHFFFAOYSA-N 1 0 231.299 1.719 40 0 BDABRO COc1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000218872273 175112236 /nfs/dbraw/zinc/11/22/36/175112236.db2.gz QSSMZORTYZYQMX-OLZOCXBDSA-N 1 0 220.316 1.665 40 0 BDABRO COc1ccc(OC)c(N[C@H]2CCC[C@H]2[NH3+])c1 ZINC000218880368 175166884 /nfs/dbraw/zinc/16/68/84/175166884.db2.gz DUQITFNAVYQLPW-MNOVXSKESA-N 1 0 236.315 1.996 40 0 BDABRO COc1ccc([C@H]2C[C@@]2(C[NH3+])CO)c(OC)c1 ZINC000062713439 175198312 /nfs/dbraw/zinc/19/83/12/175198312.db2.gz CBWDXNOKMLDGHE-DGCLKSJQSA-N 1 0 237.299 1.129 40 0 BDABRO COc1ccc2c(c1)C[N@@H+](C)C[C@H]2OC ZINC000095470379 175209567 /nfs/dbraw/zinc/20/95/67/175209567.db2.gz MVTIPZXVPRJMOO-GFCCVEGCSA-N 1 0 207.273 1.828 40 0 BDABRO COc1ccc2c(c1)c(CC[NH3+])cn2C ZINC000032501319 175217923 /nfs/dbraw/zinc/21/79/23/175217923.db2.gz OTEBNZFSZYXZFI-UHFFFAOYSA-N 1 0 204.273 1.688 40 0 BDABRO COc1cccc(CN(CC[NH3+])C2CC2)c1 ZINC000032013708 175257675 /nfs/dbraw/zinc/25/76/75/175257675.db2.gz BCCOKYMIZYMJQC-UHFFFAOYSA-N 1 0 220.316 1.618 40 0 BDABRO COc1cccc(CN2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000096054114 175259853 /nfs/dbraw/zinc/25/98/53/175259853.db2.gz BTJSGTSRELYBHD-GXTWGEPZSA-N 1 0 232.327 1.489 40 0 BDABRO COc1cccc(CN2CC[C@@H]([NH3+])C2)c1OC ZINC000050227924 175260810 /nfs/dbraw/zinc/26/08/10/175260810.db2.gz KZFGIBKFTVTJGV-LLVKDONJSA-N 1 0 236.315 1.237 40 0 BDABRO COc1cccc(NC2CC[NH2+]CC2)n1 ZINC000082458460 175278343 /nfs/dbraw/zinc/27/83/43/175278343.db2.gz DHSSAEMRHXTRAL-UHFFFAOYSA-N 1 0 207.277 1.254 40 0 BDABRO COc1cccc(NC[C@H]2C[C@@H]2C[NH3+])c1 ZINC000096509426 175278815 /nfs/dbraw/zinc/27/88/15/175278815.db2.gz AHWYKSMUPXDZLA-NXEZZACHSA-N 1 0 206.289 1.702 40 0 BDABRO COc1cccc(OC)c1OCC(N)=[NH2+] ZINC000019440376 175281454 /nfs/dbraw/zinc/28/14/54/175281454.db2.gz KHBZWPLSBKKCCN-UHFFFAOYSA-N 1 0 210.233 1.019 40 0 BDABRO COc1cccc(O[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000019262299 175283797 /nfs/dbraw/zinc/28/37/97/175283797.db2.gz RPIWFVMXBVYBGI-NWDGAFQWSA-N 1 0 207.273 1.954 40 0 BDABRO COc1cccc([C@@]2(C)C[NH2+]CCO2)c1 ZINC000096526559 175291706 /nfs/dbraw/zinc/29/17/06/175291706.db2.gz WDMYNACHTAJTPT-GFCCVEGCSA-N 1 0 207.273 1.530 40 0 BDABRO COc1ccccc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000062617039 175317708 /nfs/dbraw/zinc/31/77/08/175317708.db2.gz DSZCACCCYSPTJI-JTQLQIEISA-N 1 0 234.299 1.129 40 0 BDABRO COc1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC000020271971 175318262 /nfs/dbraw/zinc/31/82/62/175318262.db2.gz WCCGSTMKZLSHNI-UHFFFAOYSA-N 1 0 234.299 1.177 40 0 BDABRO COc1ccccc1CCCN1CC[C@H]([NH3+])C1 ZINC000096523487 175322789 /nfs/dbraw/zinc/32/27/89/175322789.db2.gz AKFUJDRKBJRRSZ-ZDUSSCGKSA-N 1 0 234.343 1.661 40 0 BDABRO COc1ccccc1[C@@H](CO)[NH+]1CCCC1 ZINC000041237220 175345843 /nfs/dbraw/zinc/34/58/43/175345843.db2.gz XHVCVUFMZUMRAE-GFCCVEGCSA-N 1 0 221.300 1.824 40 0 BDABRO C[C@@H](c1cnccn1)[N@@H+]1CCCC[C@@H]1CO ZINC000072203882 176037048 /nfs/dbraw/zinc/03/70/48/176037048.db2.gz FSSCFFPPZZZSSI-WDEREUQCSA-N 1 0 221.304 1.384 40 0 BDABRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)OCc1ccccc1 ZINC000096028718 176184887 /nfs/dbraw/zinc/18/48/87/176184887.db2.gz WXHXHVNLQCUVFW-YPMHNXCESA-N 1 0 248.326 1.911 40 0 BDABRO C[C@@H]1CN(C(=O)c2cccc(Cl)c2)CC[NH2+]1 ZINC000062619106 176261788 /nfs/dbraw/zinc/26/17/88/176261788.db2.gz LSICRKDHQWSCCO-SECBINFHSA-N 1 0 238.718 1.774 40 0 BDABRO C[C@@H]1CN(C(=O)c2cccs2)CC[NH2+]1 ZINC000062570277 176262646 /nfs/dbraw/zinc/26/26/46/176262646.db2.gz INPAQAZBWHBBTA-MRVPVSSYSA-N 1 0 210.302 1.182 40 0 BDABRO C[C@H]1CN(C(=O)/C=C/c2ccccc2)CC[NH2+]1 ZINC000067801393 177211142 /nfs/dbraw/zinc/21/11/42/177211142.db2.gz IGXKBRIICHRCSE-GUOLPTJISA-N 1 0 230.311 1.520 40 0 BDABRO C[C@H]1CN(C(=O)c2cccc(F)c2)CC[NH2+]1 ZINC000062610996 177227190 /nfs/dbraw/zinc/22/71/90/177227190.db2.gz GEKAQEZWMKZGCA-VIFPVBQESA-N 1 0 222.263 1.260 40 0 BDABRO C[C@H]1CN(CC(=O)c2cccs2)CC[NH2+]1 ZINC000079438640 177245332 /nfs/dbraw/zinc/24/53/32/177245332.db2.gz FODMAGIWGCNIJD-VIFPVBQESA-N 1 0 224.329 1.225 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)c1cccnc1Cl ZINC000079440045 177283709 /nfs/dbraw/zinc/28/37/09/177283709.db2.gz DLVDFILAOBUIIR-QMMMGPOBSA-N 1 0 239.706 1.169 40 0 BDABRO C[C@H]1C[C@H]1C(=O)N1CCC2(CC([NH+](C)C)C2)C1 ZINC000108524932 177376675 /nfs/dbraw/zinc/37/66/75/177376675.db2.gz HZWNIUGPDMFZAR-WDBLDGLGSA-N 1 0 236.359 1.585 40 0 BDABRO C[C@@H]([NH3+])[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000072208799 262721771 /nfs/dbraw/zinc/72/17/71/262721771.db2.gz AMZPJKKIQJCKDK-RKDXNWHRSA-N 1 0 244.335 1.706 40 0 BDABRO O=c1[nH]c([C@H]2CCC[NH2+]2)nc2ccncc21 ZINC000253536336 324191746 /nfs/dbraw/zinc/19/17/46/324191746.db2.gz NYNVJYWMUIFUNC-SECBINFHSA-N 1 0 216.244 1.155 40 0 BDABRO CCn1nc(N)cc1C[NH+]1CCCCC1 ZINC000257891265 324200760 /nfs/dbraw/zinc/20/07/60/324200760.db2.gz IYQQGBCQAZGUPD-UHFFFAOYSA-N 1 0 208.309 1.471 40 0 BDABRO C[NH2+]Cc1sc(N(C)C)nc1C(F)(F)F ZINC000216616031 490104525 /nfs/dbraw/zinc/10/45/25/490104525.db2.gz ATYHNTZYYYRWGG-UHFFFAOYSA-N 1 0 239.266 1.947 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]C=C[C@H]21 ZINC000228931772 518812467 /nfs/dbraw/zinc/81/24/67/518812467.db2.gz FHYMBTSBUBUOJC-DTWKUNHWSA-N 1 0 210.277 1.481 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@]2(C)C[NH2+][C@@H]2C1 ZINC000301054929 518815762 /nfs/dbraw/zinc/81/57/62/518815762.db2.gz PXSDUVHLZMOBDQ-BXKDBHETSA-N 1 0 226.320 1.605 40 0 BDABRO CCn1cc(C[NH2+]Cc2cnn(C)c2C)cn1 ZINC000020349873 523385228 /nfs/dbraw/zinc/38/52/28/523385228.db2.gz SUOZKFCJEPTHCL-UHFFFAOYSA-N 1 0 233.319 1.235 40 0 BDABRO CCn1cc(C[NH2+]Cc2cn(C)nc2C)c(C)n1 ZINC000020349858 523385657 /nfs/dbraw/zinc/38/56/57/523385657.db2.gz DCBQDTSBGUAVJB-UHFFFAOYSA-N 1 0 247.346 1.543 40 0 BDABRO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2C)cc1 ZINC000225776006 523963921 /nfs/dbraw/zinc/96/39/21/523963921.db2.gz PNWPOVHLVNJJCM-LDYMZIIASA-N 1 0 204.273 1.311 40 0 BDABRO Cc1cccc(C[C@@H]2C[N@@H+]3CCC[C@H]3CN2)c1 ZINC000039957312 524467809 /nfs/dbraw/zinc/46/78/09/524467809.db2.gz XWOBZZWMVQMZLD-CABCVRRESA-N 1 0 230.355 1.974 40 0 BDABRO C[C@@H]1[C@@H]([NH3+])C(=O)N1c1ccc(Cl)cc1 ZINC000225776333 525662388 /nfs/dbraw/zinc/66/23/88/525662388.db2.gz AJYLZROFYYOHFL-HZGVNTEJSA-N 1 0 210.664 1.402 40 0 BDABRO C[NH2+][C@H]1CCCN(c2ccnc(Cl)n2)C1 ZINC000072203950 536415594 /nfs/dbraw/zinc/41/55/94/536415594.db2.gz AOXLKQRCLNBALB-QMMMGPOBSA-N 1 0 226.711 1.318 40 0 BDABRO CC(C)(CO)[NH2+]C[C@H](O)c1ccccc1 ZINC000001846226 527207643 /nfs/dbraw/zinc/20/76/43/527207643.db2.gz PVOOBRUZWPQOER-NSHDSACASA-N 1 0 209.289 1.081 40 0 in-man BDABRO CCN(CC)C(=O)[C@@]1(c2ccccc2)CC1C[NH3+] ZINC001560406273 991469142 /nfs/dbraw/zinc/46/91/42/991469142.db2.gz WVOIBHYMPOJXNV-OAHLLOKOSA-N 1 0 245.346 1.730 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@H](c2nncn2C)C1 ZINC000072361116 343980000 /nfs/dbraw/zinc/98/00/00/343980000.db2.gz WPKDTKSVSFQMCW-NSHDSACASA-N 1 0 222.336 1.651 40 0 BDABRO Cc1cc(N(C)C)cc([C@@H]2C[NH2+]CCO2)n1 ZINC000257198067 178095750 /nfs/dbraw/zinc/09/57/50/178095750.db2.gz RNTIDQYXOLPLQR-LBPRGKRZSA-N 1 0 221.304 1.117 40 0 BDABRO Cc1cc(=O)cc([C@H]2CCC[N@H+](CCO)C2)[nH]1 ZINC000072356865 178199399 /nfs/dbraw/zinc/19/93/99/178199399.db2.gz XYAZIJDWYGHFOA-NSHDSACASA-N 1 0 236.315 1.267 40 0 BDABRO Cc1cc2nnn(C[C@@H](C)[NH3+])c2cc1C ZINC000013566336 178307581 /nfs/dbraw/zinc/30/75/81/178307581.db2.gz BQBHZUGTYDTDOB-SECBINFHSA-N 1 0 204.277 1.395 40 0 BDABRO Cc1ccccc1[C@](C)(C[NH3+])N1CCOCC1 ZINC000070453401 259313809 /nfs/dbraw/zinc/31/38/09/259313809.db2.gz VTGCZDKMZMQGAC-AWEZNQCLSA-N 1 0 234.343 1.501 40 0 BDABRO N[C@@H](c1noc(C2CC2)n1)[C@H]1CCCO1 ZINC000070453718 259313818 /nfs/dbraw/zinc/31/38/18/259313818.db2.gz ZOQJUIAQKXXWOE-HTQZYQBOSA-N 1 0 209.249 1.126 40 0 BDABRO C[N@H+](CCO)CC[C@H]1COc2ccccc2O1 ZINC000001638857 342706517 /nfs/dbraw/zinc/70/65/17/342706517.db2.gz RLTYCLLSHWGJIQ-NSHDSACASA-N 1 0 237.299 1.141 40 0 BDABRO CC[NH+](CC)Cn1nnc2ccccc21 ZINC000001717603 342710842 /nfs/dbraw/zinc/71/08/42/342710842.db2.gz QCBPLHSUOPIPBO-UHFFFAOYSA-N 1 0 204.277 1.731 40 0 BDABRO C[C@H]1N[C@@]1(c1ccccc1)[n+]1ccccc1 ZINC000001728229 342711297 /nfs/dbraw/zinc/71/12/97/342711297.db2.gz USCBUFBCRYMHLK-TZMCWYRMSA-N 1 0 211.288 1.667 40 0 BDABRO CCCOc1cc2ncc(C[NH3+])c(C)n2n1 ZINC000225725694 398281072 /nfs/dbraw/zinc/28/10/72/398281072.db2.gz UTJQRJLPDIYBBY-UHFFFAOYSA-N 1 0 220.276 1.285 40 0 BDABRO Cc1nc(N)c(C[NH2+]C2CCCCC2)c(=O)[nH]1 ZINC000005322769 342761915 /nfs/dbraw/zinc/76/19/15/342761915.db2.gz GOCFRUJHCBPIMN-UHFFFAOYSA-N 1 0 236.319 1.495 40 0 BDABRO CC[NH+](CC)CCCNC(=O)c1ccco1 ZINC000005453162 342764159 /nfs/dbraw/zinc/76/41/59/342764159.db2.gz LPTHFHNNFPSIJK-UHFFFAOYSA-N 1 0 224.304 1.741 40 0 BDABRO C[C@H]([NH3+])c1cnn(CC(=O)OC(C)(C)C)c1 ZINC000585142845 398282200 /nfs/dbraw/zinc/28/22/00/398282200.db2.gz DXMCXYVMAZCSEJ-QMMMGPOBSA-N 1 0 225.292 1.245 40 0 BDABRO Fc1cccc(C[C@H]2C[N@@H+]3CCC[C@H]3CN2)c1 ZINC000039957314 361908697 /nfs/dbraw/zinc/90/86/97/361908697.db2.gz UILPXBJQYNEVFD-KBPBESRZSA-N 1 0 234.318 1.804 40 0 BDABRO CCN(CC)c1ncc(C[NH2+]C)cc1C ZINC000072222235 259320835 /nfs/dbraw/zinc/32/08/35/259320835.db2.gz PFQDJDMIMAFUIN-UHFFFAOYSA-N 1 0 207.321 1.956 40 0 BDABRO CC(C)(C)OC(=O)N[C@H]1CC[NH2+]CC[C@@H]1F ZINC000219626429 342881252 /nfs/dbraw/zinc/88/12/52/342881252.db2.gz KMTQQQXYBFJDEP-IUCAKERBSA-N 1 0 232.299 1.601 40 0 BDABRO CC(=O)N[C@@H]1CCCC[C@H]1N(CC[NH3+])C(C)C ZINC000169676205 398342213 /nfs/dbraw/zinc/34/22/13/398342213.db2.gz CIHCWDAEEWKLMH-CHWSQXEVSA-N 1 0 241.379 1.103 40 0 BDABRO [NH3+][C@@H]1CCc2cc(Br)ccc2[C@H]1O ZINC000019795477 342957946 /nfs/dbraw/zinc/95/79/46/342957946.db2.gz SQGHVXDQPFYPPD-NXEZZACHSA-N 1 0 242.116 1.756 40 0 BDABRO CN1C[C@H]([NH3+])[C@H](c2ccc(Cl)cc2)C1 ZINC000216409065 346913273 /nfs/dbraw/zinc/91/32/73/346913273.db2.gz LUHOAPONKQKMFS-QWRGUYRKSA-N 1 0 210.708 1.696 40 0 BDABRO Clc1cccc([C@@H]2C[NH2+]CCCN2)c1 ZINC000022462321 343049504 /nfs/dbraw/zinc/04/95/04/343049504.db2.gz FDYNAFFLXZQHDJ-NSHDSACASA-N 1 0 210.708 1.964 40 0 BDABRO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccc(O)c1 ZINC000259388536 343107517 /nfs/dbraw/zinc/10/75/17/343107517.db2.gz AFAUMTTXQAOWAJ-VXGBXAGGSA-N 1 0 235.283 1.258 40 0 BDABRO NN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000034963081 343281832 /nfs/dbraw/zinc/28/18/32/343281832.db2.gz BXWRQAZUWGDOSR-LBPRGKRZSA-N 1 0 205.305 1.114 40 0 BDABRO COC(=O)C[C@@H](C)[NH2+]Cc1ccccn1 ZINC000035748425 343303398 /nfs/dbraw/zinc/30/33/98/343303398.db2.gz QVNMELJMEQIBIR-SECBINFHSA-N 1 0 208.261 1.123 40 0 BDABRO CCN(Cc1ccccc1C)C(=O)[C@H](C)[NH3+] ZINC000036199764 343304603 /nfs/dbraw/zinc/30/46/03/343304603.db2.gz CWTXOVKNZJGANQ-NSHDSACASA-N 1 0 220.316 1.691 40 0 BDABRO C[C@H]([NH3+])C(=O)N(C)Cc1ccccc1Cl ZINC000037798658 343311641 /nfs/dbraw/zinc/31/16/41/343311641.db2.gz XIHBFIOMPRJLSJ-QMMMGPOBSA-N 1 0 226.707 1.646 40 0 BDABRO COc1ccc(Br)c(CC[NH3+])c1 ZINC000044396855 343499775 /nfs/dbraw/zinc/49/97/75/343499775.db2.gz DKOJHGDTHVOSEO-UHFFFAOYSA-N 1 0 230.105 1.959 40 0 BDABRO Clc1ncnc2[nH]c([C@@H]3CCC[NH2+]C3)nc21 ZINC000096311442 343667256 /nfs/dbraw/zinc/66/72/56/343667256.db2.gz DEXFTKVTKRUMMW-ZCFIWIBFSA-N 1 0 237.694 1.473 40 0 BDABRO CCN(Cc1cnn(CC)c1)C[C@@H]([NH3+])C(C)C ZINC000096523748 343758580 /nfs/dbraw/zinc/75/85/80/343758580.db2.gz XLFJKZMXUIHBMS-CYBMUJFWSA-N 1 0 238.379 1.708 40 0 BDABRO CCN1CC[NH+](C[C@H]2Cc3ccccc3N2)CC1 ZINC000096524015 343758998 /nfs/dbraw/zinc/75/89/98/343758998.db2.gz YOANJFDVQDMTAP-CQSZACIVSA-N 1 0 245.370 1.661 40 0 BDABRO COC[C@@H]1CCCCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000395945387 343810780 /nfs/dbraw/zinc/81/07/80/343810780.db2.gz HMFJHULFPFXJEC-NWDGAFQWSA-N 1 0 240.347 1.156 40 0 BDABRO CN(C)c1ccc([C@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC000396806272 343810825 /nfs/dbraw/zinc/81/08/25/343810825.db2.gz FWCOBNPVVOGNSG-DGCLKSJQSA-N 1 0 220.316 1.048 40 0 BDABRO CCN(CC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000396164477 343811004 /nfs/dbraw/zinc/81/10/04/343811004.db2.gz NOVCMZNVPZHVOI-URLYPYJESA-N 1 0 226.320 1.748 40 0 BDABRO c1nn(-c2ccccn2)cc1C1CC[NH2+]CC1 ZINC000575623392 343876327 /nfs/dbraw/zinc/87/63/27/343876327.db2.gz OJCLFDFYBQXLCJ-UHFFFAOYSA-N 1 0 228.299 1.734 40 0 BDABRO Cc1ccccc1Cn1cncc1C[NH3+] ZINC000085197324 344507428 /nfs/dbraw/zinc/50/74/28/344507428.db2.gz NEKYWLPJYQDDIE-UHFFFAOYSA-N 1 0 201.273 1.699 40 0 BDABRO Cc1cc2[nH+]cc(N)n2cc1Br ZINC000238520099 345067083 /nfs/dbraw/zinc/06/70/83/345067083.db2.gz AKYGSSUWKYQVAG-UHFFFAOYSA-N 1 0 226.077 1.987 40 0 BDABRO CCc1ccc([C@H]2C[NH2+]C[C@H]2C(=O)OC)cc1 ZINC000067173404 345716241 /nfs/dbraw/zinc/71/62/41/345716241.db2.gz JCSGJWKPOAXMPM-CHWSQXEVSA-N 1 0 233.311 1.725 40 0 BDABRO Cc1cccc(C)c1OCC1=[NH+]CCN1 ZINC000001702248 179046442 /nfs/dbraw/zinc/04/64/42/179046442.db2.gz ZPRILVGHSBDMBF-UHFFFAOYSA-N 1 0 204.273 1.684 40 0 BDABRO Cc1cccc(CN(CC[NH3+])C2CC2)c1 ZINC000032010389 179071147 /nfs/dbraw/zinc/07/11/47/179071147.db2.gz FMFWHPXOZSFOSV-UHFFFAOYSA-N 1 0 204.317 1.918 40 0 BDABRO Cc1cccc(CO[C@H]2CO[C@@]3(CC[NH2+]C3)C2)n1 ZINC000306130075 179103412 /nfs/dbraw/zinc/10/34/12/179103412.db2.gz IVUPUFFTECKHQX-KGLIPLIRSA-N 1 0 248.326 1.428 40 0 BDABRO Cc1cccc(NC(=O)C[NH2+]C2CC2)c1 ZINC000019405093 179128485 /nfs/dbraw/zinc/12/84/85/179128485.db2.gz FEJQDIMBWJGMBB-UHFFFAOYSA-N 1 0 204.273 1.686 40 0 BDABRO Cc1cccc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC000019256714 179133697 /nfs/dbraw/zinc/13/36/97/179133697.db2.gz MXZBZKANNDKUQF-UHFFFAOYSA-N 1 0 233.315 1.869 40 0 BDABRO Cc1ccccc1-c1nnc([C@@H](C)[NH3+])[nH]1 ZINC000082510268 179236446 /nfs/dbraw/zinc/23/64/46/179236446.db2.gz CMANGHUIHQDMLT-MRVPVSSYSA-N 1 0 202.261 1.800 40 0 BDABRO Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC000074707311 179278237 /nfs/dbraw/zinc/27/82/37/179278237.db2.gz ORYBWZFYDIFWOO-UHFFFAOYSA-N 1 0 246.354 1.953 40 0 BDABRO Cc1ccccc1CN[C@@H]1CCC[NH2+]C1 ZINC000043327095 179282690 /nfs/dbraw/zinc/28/26/90/179282690.db2.gz VALRSSHULKTZPQ-CYBMUJFWSA-N 1 0 204.317 1.837 40 0 BDABRO Cc1cccnc1CNC(=O)CC1CC[NH2+]CC1 ZINC000071344803 179378984 /nfs/dbraw/zinc/37/89/84/179378984.db2.gz ZTGWHWHBUHJMMK-UHFFFAOYSA-N 1 0 247.342 1.396 40 0 BDABRO Cc1nc([C@@H]2CCC[NH2+]2)cc(N2CCCC2)n1 ZINC000072386396 180040945 /nfs/dbraw/zinc/04/09/45/180040945.db2.gz QRHRAXOUPPTIIL-NSHDSACASA-N 1 0 232.331 1.810 40 0 BDABRO Cc1nc([C@H]2C[NH2+]CCO2)cc(N2CCCC2)n1 ZINC000072386402 180057560 /nfs/dbraw/zinc/05/75/60/180057560.db2.gz VHSPPWBBNMXXHC-GFCCVEGCSA-N 1 0 248.330 1.046 40 0 BDABRO Cc1nc2c(c(N3CCC[NH2+]CC3)n1)CCCC2 ZINC000096516915 180068616 /nfs/dbraw/zinc/06/86/16/180068616.db2.gz DBPDNQSGILWWLH-UHFFFAOYSA-N 1 0 246.358 1.464 40 0 BDABRO Cc1ncnc2c1CC[N@H+](CC1CC1)CC2 ZINC000096058598 180290419 /nfs/dbraw/zinc/29/04/19/180290419.db2.gz FTLUKPHNLVAWEF-UHFFFAOYSA-N 1 0 217.316 1.596 40 0 BDABRO [NH3+][C@@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000038538780 362960233 /nfs/dbraw/zinc/96/02/33/362960233.db2.gz SIHRWHHAKHPDJB-SECBINFHSA-N 1 0 212.243 1.498 40 0 BDABRO CC(=O)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225683831 191133037 /nfs/dbraw/zinc/13/30/37/191133037.db2.gz HHTSERYVAXVVEL-HNNXBMFYSA-N 1 0 244.338 1.666 40 0 BDABRO COc1ccc([C@@H]2CC[C@@H](CO)[NH2+]2)cc1 ZINC000213517973 363023398 /nfs/dbraw/zinc/02/33/98/363023398.db2.gz MMWBYNKOFUNQKW-JQWIXIFHSA-N 1 0 207.273 1.481 40 0 BDABRO COC(=O)[C@@H](C[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC000000000392 363042465 /nfs/dbraw/zinc/04/24/65/363042465.db2.gz YFEDJMLMWJSRJJ-JTQLQIEISA-N 1 0 248.282 1.392 40 0 in-man BDABRO CCOC(=O)C1CCC([NH2+]C2CC2)CC1 ZINC000090461603 363064831 /nfs/dbraw/zinc/06/48/31/363064831.db2.gz UWFBCXHDGNVMTD-UHFFFAOYSA-N 1 0 211.305 1.860 40 0 BDABRO Cn1c2ccccc2nc1[C@H]1CC[NH2+]C1 ZINC000049171144 180625414 /nfs/dbraw/zinc/62/54/14/180625414.db2.gz CKSXZUWFZSESJG-VIFPVBQESA-N 1 0 201.273 1.650 40 0 BDABRO CCOc1ccccc1[C@H](C[NH3+])N(C)C ZINC000019796138 363147318 /nfs/dbraw/zinc/14/73/18/363147318.db2.gz BSRJPKHPOWGXHU-NSHDSACASA-N 1 0 208.305 1.647 40 0 BDABRO Cc1cc(C[NH3+])ccc1N1CCCC1=O ZINC000006796664 363183822 /nfs/dbraw/zinc/18/38/22/363183822.db2.gz QUKUDFILHCQYDA-UHFFFAOYSA-N 1 0 204.273 1.581 40 0 BDABRO O=C1C=CC[C@@H]2[C@@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000002117629 363200106 /nfs/dbraw/zinc/20/01/06/363200106.db2.gz AAGFPTSOPGCENQ-XPCVCDNBSA-N 1 0 246.354 1.648 40 0 BDABRO Cn1nccc1-c1cncc(C[C@H]2CC[NH2+]C2)n1 ZINC000257318519 180828601 /nfs/dbraw/zinc/82/86/01/180828601.db2.gz VOHARQOKLNTBQA-SNVBAGLBSA-N 1 0 243.314 1.029 40 0 BDABRO COC(=O)[C@@H](C)C[NH2+]CCc1ccccc1 ZINC000002045114 353472226 /nfs/dbraw/zinc/47/22/26/353472226.db2.gz KKHGLVXWFXAALZ-NSHDSACASA-N 1 0 221.300 1.628 40 0 BDABRO C1CCn2c(nnc2[C@H]2CCC[NH2+]C2)C1 ZINC000082304137 188494768 /nfs/dbraw/zinc/49/47/68/188494768.db2.gz OWYXBQIJJQCRPC-VIFPVBQESA-N 1 0 206.293 1.081 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000097758992 353746127 /nfs/dbraw/zinc/74/61/27/353746127.db2.gz LHUHSZDKNVVQSN-GWCFXTLKSA-N 1 0 240.347 1.982 40 0 BDABRO Fc1cccnc1N[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC000096072663 181017261 /nfs/dbraw/zinc/01/72/61/181017261.db2.gz FQFHPHPQJXWYRC-CABZTGNLSA-N 1 0 237.278 1.154 40 0 BDABRO NC(=[NH2+])NCCN1CCCCCc2ccccc21 ZINC000001637029 181189471 /nfs/dbraw/zinc/18/94/71/181189471.db2.gz XKFYEYLSAOJVOT-UHFFFAOYSA-N 1 0 246.358 1.702 40 0 BDABRO Cc1cccc(OC[C@@]2(O)CCC[NH2+]C2)c1 ZINC000383836776 355375831 /nfs/dbraw/zinc/37/58/31/355375831.db2.gz WKYRBXDBYBKCIT-CYBMUJFWSA-N 1 0 221.300 1.488 40 0 BDABRO NC(=[NH2+])Cc1ccc(Br)s1 ZINC000019519074 181187946 /nfs/dbraw/zinc/18/79/46/181187946.db2.gz XXMZLYBDMXWEIK-UHFFFAOYSA-N 1 0 219.107 1.989 40 0 BDABRO NC(=[NH2+])c1cccc(OCc2ccncc2)c1 ZINC000019424936 181196584 /nfs/dbraw/zinc/19/65/84/181196584.db2.gz TZADFOVTYSHEPH-UHFFFAOYSA-N 1 0 227.267 1.945 40 0 BDABRO C[C@H]([NH3+])C(=O)NCc1ccccc1Cl ZINC000011957428 355771549 /nfs/dbraw/zinc/77/15/49/355771549.db2.gz FNJCPXUFBFZZCV-ZETCQYMHSA-N 1 0 212.680 1.303 40 0 BDABRO [NH2+]=c1ccn(C[C@H](O)COc2ccccc2)cc1 ZINC000008627254 181210419 /nfs/dbraw/zinc/21/04/19/181210419.db2.gz NBUCKBCURZMBSX-ZDUSSCGKSA-N 1 0 244.294 1.407 40 0 BDABRO [NH3+][C@@H]1CCCN(c2cc(C3CC3)ncn2)C1 ZINC000212232498 356689228 /nfs/dbraw/zinc/68/92/28/356689228.db2.gz LMYZIOZBLFJWOP-SNVBAGLBSA-N 1 0 218.304 1.282 40 0 BDABRO C[C@H](C1CC1)[N@H+](C1CC1)[C@@H]1CNCC[C@]1(C)O ZINC000685936118 538756464 /nfs/dbraw/zinc/75/64/64/538756464.db2.gz FYAXTXJNIYAOCQ-HONMWMINSA-N 1 0 238.375 1.362 40 0 BDABRO C[C@H](C1CC1)[N@H+](C1CC1)[C@H]1CNCC[C@]1(C)O ZINC000685936120 538757738 /nfs/dbraw/zinc/75/77/38/538757738.db2.gz FYAXTXJNIYAOCQ-SWHYSGLUSA-N 1 0 238.375 1.362 40 0 BDABRO CC[NH+](CC)CCCNCc1ccnn1C ZINC000036901124 357330689 /nfs/dbraw/zinc/33/06/89/357330689.db2.gz ORTHAPMCCJKMSS-UHFFFAOYSA-N 1 0 224.352 1.242 40 0 BDABRO CC(C)c1cc(CN2CC[NH2+]CC2)no1 ZINC000022763274 357341827 /nfs/dbraw/zinc/34/18/27/357341827.db2.gz QGIRNUPQMZDLCB-UHFFFAOYSA-N 1 0 209.293 1.203 40 0 BDABRO CCOc1ccc(CCN2CCC[NH2+]CC2)cc1 ZINC000041301939 358759170 /nfs/dbraw/zinc/75/91/70/358759170.db2.gz SNFOURPZAJXWBG-UHFFFAOYSA-N 1 0 248.370 1.923 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]Cc2[nH]c3ccccc3c21 ZINC000021990080 358985687 /nfs/dbraw/zinc/98/56/87/358985687.db2.gz YOOXDTWCCSMAOZ-SECBINFHSA-N 1 0 230.267 1.528 40 0 BDABRO CCOc1ccc([C@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC000396932583 359884588 /nfs/dbraw/zinc/88/45/88/359884588.db2.gz YTYRNRUFRJALTM-DGCLKSJQSA-N 1 0 221.300 1.381 40 0 BDABRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH3+])C[C@@H]1F ZINC000238107098 360565845 /nfs/dbraw/zinc/56/58/45/360565845.db2.gz VYORQYIYWDBGCN-HRDYMLBCSA-N 1 0 232.299 1.729 40 0 BDABRO [NH3+][C@H]1CCCN(c2nc3ccccc3[nH]2)C1 ZINC000041030337 361173389 /nfs/dbraw/zinc/17/33/89/361173389.db2.gz RCLYMORVSRZNHW-VIFPVBQESA-N 1 0 216.288 1.490 40 0 BDABRO Clc1ccc(NC2CC[NH2+]CC2)nn1 ZINC000037116604 361681552 /nfs/dbraw/zinc/68/15/52/361681552.db2.gz LEBTZPGHYYGOHD-UHFFFAOYSA-N 1 0 212.684 1.294 40 0 BDABRO [NH3+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000003311604 181355964 /nfs/dbraw/zinc/35/59/64/181355964.db2.gz SHRCYTRBVZRZOF-UHFFFAOYSA-N 1 0 218.178 1.603 40 0 BDABRO [NH3+]CC1(Cc2cccnc2)CCOCC1 ZINC000085652890 181360207 /nfs/dbraw/zinc/36/02/07/181360207.db2.gz KBWYRJHHCXQTSE-UHFFFAOYSA-N 1 0 206.289 1.380 40 0 BDABRO COc1ccc([C@@H]2C[NH2+]CCN2C(C)=O)cc1 ZINC000205681293 368357136 /nfs/dbraw/zinc/35/71/36/368357136.db2.gz ZTSSRMAJOCXINZ-ZDUSSCGKSA-N 1 0 234.299 1.188 40 0 BDABRO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000205687253 368358801 /nfs/dbraw/zinc/35/88/01/368358801.db2.gz PDTGXIBBVZHOSV-VIFPVBQESA-N 1 0 229.287 1.600 40 0 BDABRO CCOCCCN1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000225712309 259541017 /nfs/dbraw/zinc/54/10/17/259541017.db2.gz KZKNJYKAMVANNE-STQMWFEESA-N 1 0 226.364 1.629 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H]([NH3+])[C@@H]21 ZINC000514269645 369720633 /nfs/dbraw/zinc/72/06/33/369720633.db2.gz LKFGPMRVNCQJHB-HRDYMLBCSA-N 1 0 212.293 1.343 40 0 BDABRO COCCC[N@@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000225711706 259541241 /nfs/dbraw/zinc/54/12/41/259541241.db2.gz VYWZRUFXEWYJCB-RYUDHWBXSA-N 1 0 212.337 1.239 40 0 BDABRO Cc1cc(-c2nccnc2[C@H]2CCC[NH2+]C2)n[nH]1 ZINC000205686639 369996598 /nfs/dbraw/zinc/99/65/98/369996598.db2.gz IVVKYOURHXHQFR-JTQLQIEISA-N 1 0 243.314 1.642 40 0 BDABRO Cn1cncc1-c1cncc([C@H]2CCC[NH2+]C2)n1 ZINC000205690162 369996659 /nfs/dbraw/zinc/99/66/59/369996659.db2.gz SZHNASVQTXUBTR-JTQLQIEISA-N 1 0 243.314 1.344 40 0 BDABRO O=C1CC[C@H](C(F)(F)F)N1[C@H]1CCC[NH2+]C1 ZINC000256049949 370634688 /nfs/dbraw/zinc/63/46/88/370634688.db2.gz CBMYTNNYRJITJI-JGVFFNPUSA-N 1 0 236.237 1.292 40 0 BDABRO c1ncc(-c2ccc([C@H]3C[NH2+]CCO3)nc2)cn1 ZINC000019695383 371183867 /nfs/dbraw/zinc/18/38/67/371183867.db2.gz ZPNOIDUCOCIXJN-CYBMUJFWSA-N 1 0 242.282 1.200 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000084942897 181643841 /nfs/dbraw/zinc/64/38/41/181643841.db2.gz VADJCKDRAUJNEF-LBPRGKRZSA-N 1 0 226.270 1.888 40 0 BDABRO CC(C)(C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932816 371555374 /nfs/dbraw/zinc/55/53/74/371555374.db2.gz FGEUUJJXRYGHFB-LLVKDONJSA-N 1 0 224.348 1.729 40 0 BDABRO O=C(CC[N@H+]1CCC[C@H](O)C1)c1ccccc1 ZINC000038438515 372604028 /nfs/dbraw/zinc/60/40/28/372604028.db2.gz VZBUWWZRBXHVJA-ZDUSSCGKSA-N 1 0 233.311 1.716 40 0 BDABRO O=C(Cc1ccccc1)O[C@H]1C[NH+]2CCC1CC2 ZINC000004897284 182044463 /nfs/dbraw/zinc/04/44/63/182044463.db2.gz DMFZRWNYDMLYHA-AWEZNQCLSA-N 1 0 245.322 1.867 40 0 BDABRO O=C(NCc1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000062112383 182256546 /nfs/dbraw/zinc/25/65/46/182256546.db2.gz HDUBOHYFIDCSPN-SNVBAGLBSA-N 1 0 222.263 1.051 40 0 BDABRO O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCCC1 ZINC000072345679 182646874 /nfs/dbraw/zinc/64/68/74/182646874.db2.gz HSTRQNCIFVTFCY-SNVBAGLBSA-N 1 0 248.330 1.113 40 0 BDABRO O=C(c1ccco1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000096216617 182685273 /nfs/dbraw/zinc/68/52/73/182685273.db2.gz LRXMSLRSYJUXGP-ZDUSSCGKSA-N 1 0 234.299 1.495 40 0 BDABRO OCC[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000072351164 183071619 /nfs/dbraw/zinc/07/16/19/183071619.db2.gz KQLRAOBFEUKHEJ-UHFFFAOYSA-N 1 0 239.290 1.101 40 0 BDABRO CCCCn1cccc1CN1CC[NH2+]CC1 ZINC000225309852 169036267 /nfs/dbraw/zinc/03/62/67/169036267.db2.gz CHBKKIXDNZQHBK-UHFFFAOYSA-N 1 0 221.348 1.693 40 0 BDABRO OC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000021984202 183155957 /nfs/dbraw/zinc/15/59/57/183155957.db2.gz IBOPBHBOBJYXTD-PWSUYJOCSA-N 1 0 209.264 1.511 40 0 BDABRO O[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000038538831 183198119 /nfs/dbraw/zinc/19/81/19/183198119.db2.gz DOZVNOAPUMMXOY-LLVKDONJSA-N 1 0 211.692 1.907 40 0 BDABRO O[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000038538829 183239406 /nfs/dbraw/zinc/23/94/06/183239406.db2.gz DOZVNOAPUMMXOY-NSHDSACASA-N 1 0 211.692 1.907 40 0 BDABRO O[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000038538676 183240159 /nfs/dbraw/zinc/24/01/59/183240159.db2.gz PXEJSKHLNKPJTA-JTQLQIEISA-N 1 0 211.692 1.907 40 0 BDABRO O=c1cc([C@H]2CCCC[NH2+]2)nc2[nH]ccn21 ZINC000257259885 183261506 /nfs/dbraw/zinc/26/15/06/183261506.db2.gz LAMXYRHUWSLAQD-MRVPVSSYSA-N 1 0 218.260 1.250 40 0 BDABRO CCC[NH+](CCC)CC(=O)N1CCCC1=O ZINC000003152766 169147923 /nfs/dbraw/zinc/14/79/23/169147923.db2.gz GHSKXCLBHAXLFK-UHFFFAOYSA-N 1 0 226.320 1.257 40 0 BDABRO c1c[nH]c(-c2nccnc2CC2CC[NH2+]CC2)n1 ZINC000257284175 183322793 /nfs/dbraw/zinc/32/27/93/183322793.db2.gz PBNAEFCNSIKQSY-UHFFFAOYSA-N 1 0 243.314 1.409 40 0 BDABRO c1c[nH]c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000096516145 183322992 /nfs/dbraw/zinc/32/29/92/183322992.db2.gz XROOZUDKNDKYTD-ZETCQYMHSA-N 1 0 204.233 1.489 40 0 BDABRO CCC[NH+]1CCN(C[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000020073792 169203193 /nfs/dbraw/zinc/20/31/93/169203193.db2.gz RBCWTVMIYMMQII-OLZOCXBDSA-N 1 0 227.396 1.387 40 0 BDABRO c1[nH]nc2cccc(C[C@@H]3C[NH2+]CCOC3)c12 ZINC000257197707 183355366 /nfs/dbraw/zinc/35/53/66/183355366.db2.gz GURMQGAFRNBASE-SNVBAGLBSA-N 1 0 231.299 1.341 40 0 BDABRO c1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)nc1 ZINC000019402986 183383882 /nfs/dbraw/zinc/38/38/82/183383882.db2.gz SVYZNJWLLXPIOM-VIFPVBQESA-N 1 0 230.271 1.599 40 0 BDABRO c1cn2c(cccc2[C@@H]2CCC[NH2+]C2)n1 ZINC000082382060 183362346 /nfs/dbraw/zinc/36/23/46/183362346.db2.gz PFMNHWAGCRBKBK-SNVBAGLBSA-N 1 0 201.273 1.801 40 0 BDABRO CCC[NH2+][C@@H]1CCc2nc(N)sc2[C@H]1O ZINC000077032225 169283009 /nfs/dbraw/zinc/28/30/09/169283009.db2.gz UWNDKVURLHPSSG-SVRRBLITSA-N 1 0 227.333 1.073 40 0 BDABRO c1ccc2c(c1)C[C@@H](C[NH2+]C1CC1)CO2 ZINC000037405180 183448869 /nfs/dbraw/zinc/44/88/69/183448869.db2.gz UQVCQPQOFGSEMT-JTQLQIEISA-N 1 0 203.285 1.990 40 0 BDABRO c1nn(C2CCOCC2)cc1C1CC[NH2+]CC1 ZINC000095097686 183551754 /nfs/dbraw/zinc/55/17/54/183551754.db2.gz OSCYBBBPSLAXBX-UHFFFAOYSA-N 1 0 235.331 1.702 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]([NH3+])CO2)C1 ZINC000091304423 166653494 /nfs/dbraw/zinc/65/34/94/166653494.db2.gz XRSPAFPVVVLQTD-BXKDBHETSA-N 1 0 242.319 1.114 40 0 BDABRO CCCn1nc(C)cc1CN(C)CC[NH2+]C ZINC000096523949 169625155 /nfs/dbraw/zinc/62/51/55/169625155.db2.gz LGNLJNQHGWOSBJ-UHFFFAOYSA-N 1 0 224.352 1.253 40 0 BDABRO Cc1nn(C)c(C)c1-c1cc(C[NH3+])no1 ZINC000035655526 383864732 /nfs/dbraw/zinc/86/47/32/383864732.db2.gz BUAJYPBBGZNHSS-UHFFFAOYSA-N 1 0 206.249 1.151 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccn1 ZINC000035694969 383872158 /nfs/dbraw/zinc/87/21/58/383872158.db2.gz HKXMBRHRQZSLDA-ONGXEEELSA-N 1 0 221.304 1.242 40 0 BDABRO C[NH+](C)C[C@@]1(C)Cc2ccsc2[C@@H]1O ZINC000001615699 383911652 /nfs/dbraw/zinc/91/16/52/383911652.db2.gz FQCISXOVQQDYON-WDEREUQCSA-N 1 0 211.330 1.906 40 0 BDABRO COC(=O)c1ccc[n+](Cc2ccccc2)c1 ZINC000001602566 383912179 /nfs/dbraw/zinc/91/21/79/383912179.db2.gz LOUGJJDJUAEBFZ-UHFFFAOYSA-N 1 0 228.271 1.809 40 0 BDABRO CC(=O)C[C@@H]1CCC[C@@H](CC(C)=O)[NH+]1C ZINC000001713154 383927591 /nfs/dbraw/zinc/92/75/91/383927591.db2.gz YAUAJQOAQPDXSN-RYUDHWBXSA-N 1 0 211.305 1.798 40 0 BDABRO COc1c[s+]nn1-c1ccc(C)cc1 ZINC000001720054 383931467 /nfs/dbraw/zinc/93/14/67/383931467.db2.gz NUEJRQMCGSDCCB-UHFFFAOYSA-N 1 0 207.278 1.737 40 0 BDABRO CSCCCNCC[NH2+]CCCSC ZINC000068605025 384002006 /nfs/dbraw/zinc/00/20/06/384002006.db2.gz OVKVRVFFKUFRIO-UHFFFAOYSA-N 1 0 236.450 1.672 40 0 BDABRO Nc1nn(-c2ccccc2)[n+](-c2ccccc2)n1 ZINC000002169665 383953602 /nfs/dbraw/zinc/95/36/02/383953602.db2.gz CQNICPMGBHQXAO-UHFFFAOYSA-N 1 0 238.274 1.126 40 0 BDABRO C[C@@H]([NH3+])COCc1c(F)cccc1F ZINC000089262675 383955056 /nfs/dbraw/zinc/95/50/56/383955056.db2.gz PWCFJODXYBAUMJ-SSDOTTSWSA-N 1 0 201.216 1.829 40 0 BDABRO CC(=O)N1C=C([C@H]2CCCC[NH2+]2)CCC1 ZINC000004098568 384039239 /nfs/dbraw/zinc/03/92/39/384039239.db2.gz APKLQIQRPUDADG-GFCCVEGCSA-N 1 0 208.305 1.655 40 0 biogenic,in-vitro BDABRO CC(C)(C)c1noc(-c2cc[nH+]c(NN)c2)n1 ZINC000070451559 384107629 /nfs/dbraw/zinc/10/76/29/384107629.db2.gz BZCZRMRAVQUGPS-UHFFFAOYSA-N 1 0 233.275 1.715 40 0 BDABRO CC[N@H+](CCO)[C@H]1CCCC[C@@H]1N(C)C ZINC000079405993 384138184 /nfs/dbraw/zinc/13/81/84/384138184.db2.gz OYDNNWKIHWGQAS-RYUDHWBXSA-N 1 0 214.353 1.173 40 0 BDABRO C[NH+](C)[C@H]1CCCC[C@@H]1N(CCO)C1CC1 ZINC000079423132 384146761 /nfs/dbraw/zinc/14/67/61/384146761.db2.gz SQUWYBOMJCWVLV-STQMWFEESA-N 1 0 226.364 1.316 40 0 BDABRO C[NH+](C)[C@@H]1CCCC[C@@H]1N(CCO)C1CC1 ZINC000079423129 384146804 /nfs/dbraw/zinc/14/68/04/384146804.db2.gz SQUWYBOMJCWVLV-OLZOCXBDSA-N 1 0 226.364 1.316 40 0 BDABRO CC(C)N(CCO)[C@@H](C)c1nccs1 ZINC000079436082 384146852 /nfs/dbraw/zinc/14/68/52/384146852.db2.gz ZOVCTIRFHIFLAW-VIFPVBQESA-N 1 0 214.334 1.907 40 0 BDABRO CC(C)N(CC[NH3+])[C@H](C)c1ccccn1 ZINC000079421753 384141740 /nfs/dbraw/zinc/14/17/40/384141740.db2.gz POKNJKFRECSUTF-LLVKDONJSA-N 1 0 207.321 1.812 40 0 BDABRO CC(C)[N@H+](C)C[C@H]1CCCCN1CCO ZINC000079418500 384143033 /nfs/dbraw/zinc/14/30/33/384143033.db2.gz OUVBLQVROAHJLI-GFCCVEGCSA-N 1 0 214.353 1.173 40 0 BDABRO Cc1ccc(F)cc1CNC1CC[NH2+]CC1 ZINC000067802666 384166476 /nfs/dbraw/zinc/16/64/76/384166476.db2.gz ZYCHJPYIPHRXQD-UHFFFAOYSA-N 1 0 222.307 1.976 40 0 BDABRO Cc1ccc(C2(O)CC[NH+](CCO)CC2)cc1 ZINC000072344659 384208270 /nfs/dbraw/zinc/20/82/70/384208270.db2.gz ZFTOAFAOZDUKGE-UHFFFAOYSA-N 1 0 235.327 1.271 40 0 BDABRO CCCCCCC(=O)N1CC[NH2+]C[C@H]1C ZINC000071978928 384191521 /nfs/dbraw/zinc/19/15/21/384191521.db2.gz VRJPHHQKVHZCRV-LLVKDONJSA-N 1 0 212.337 1.777 40 0 BDABRO CN(C)c1cc([C@@H]2CCC[N@@H+]2C)ccn1 ZINC000072381251 384215747 /nfs/dbraw/zinc/21/57/47/384215747.db2.gz ZDQAUSSZYFTLRN-NSHDSACASA-N 1 0 205.305 1.914 40 0 BDABRO CC(C)N1CCC[C@@H]1c1nnc2n1CC[N@@H+](C)C2 ZINC000072373890 384216949 /nfs/dbraw/zinc/21/69/49/384216949.db2.gz ZLPSZMMVAORANL-LLVKDONJSA-N 1 0 249.362 1.269 40 0 BDABRO CNc1cc(C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072381298 384217926 /nfs/dbraw/zinc/21/79/26/384217926.db2.gz UYCZSBKJDIJBHQ-SNVBAGLBSA-N 1 0 220.320 1.636 40 0 BDABRO C(OC[C@]12CCCO[C@H]1CC[NH2+]C2)C1CC1 ZINC000096039920 384426511 /nfs/dbraw/zinc/42/65/11/384426511.db2.gz DTKGAAOGOXOWRT-QWHCGFSZSA-N 1 0 225.332 1.572 40 0 BDABRO O=C1CCC[C@H]2[NH2+]C[C@@H](c3ccccc3)[C@@H]2N1 ZINC000095951743 384419018 /nfs/dbraw/zinc/41/90/18/384419018.db2.gz VQVPWKVKPQWWHG-SCRDCRAPSA-N 1 0 230.311 1.411 40 0 biogenic BDABRO C[NH+]1CCC(CCNC(=O)c2ccco2)CC1 ZINC000078578764 384451649 /nfs/dbraw/zinc/45/16/49/384451649.db2.gz AUCMAVBXMAOULU-UHFFFAOYSA-N 1 0 236.315 1.741 40 0 BDABRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000096054907 384430157 /nfs/dbraw/zinc/43/01/57/384430157.db2.gz SLBHJOUWXGWGCR-BETUJISGSA-N 1 0 233.311 1.773 40 0 BDABRO Cc1ccc(N2C[C@@]3(CC[NH2+]C3)CC2=O)s1 ZINC000096077959 384430781 /nfs/dbraw/zinc/43/07/81/384430781.db2.gz QHHZPWUNRULBOP-LBPRGKRZSA-N 1 0 236.340 1.773 40 0 BDABRO COc1ccc(C[C@H]2C[NH2+]CC[C@H]2OC)cc1 ZINC000096110266 384433831 /nfs/dbraw/zinc/43/38/31/384433831.db2.gz GCWZGSIOWCEZBB-GXTWGEPZSA-N 1 0 235.327 1.862 40 0 BDABRO COC(=O)N1c2ccccc2[C@@H]2C[NH2+]CC[C@H]21 ZINC000096157349 384440959 /nfs/dbraw/zinc/44/09/59/384440959.db2.gz RHOYYIDCGPGEHJ-CMPLNLGQSA-N 1 0 232.283 1.719 40 0 BDABRO Cc1ccc(N2CCC[C@@]3(CC[NH2+]C3)C2)nn1 ZINC000096217087 384443373 /nfs/dbraw/zinc/44/33/73/384443373.db2.gz YUPQVENGVMINEX-ZDUSSCGKSA-N 1 0 232.331 1.365 40 0 BDABRO O=[S@](c1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000079438571 384496285 /nfs/dbraw/zinc/49/62/85/384496285.db2.gz IRAOTQZJCAFVEL-HZMBPMFUSA-N 1 0 213.277 1.295 40 0 BDABRO c1csc(-c2cc(CN3CC[NH2+]CC3)[nH]n2)c1 ZINC000082654961 384521314 /nfs/dbraw/zinc/52/13/14/384521314.db2.gz VMQLBIAOPALAQY-UHFFFAOYSA-N 1 0 248.355 1.543 40 0 BDABRO CC(C)(C)c1nnc(C2CC[NH2+]CC2)o1 ZINC000019780346 384536818 /nfs/dbraw/zinc/53/68/18/384536818.db2.gz CFMWSQWFSICMSM-UHFFFAOYSA-N 1 0 209.293 1.834 40 0 BDABRO CNc1cc(C)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019686530 384532642 /nfs/dbraw/zinc/53/26/42/384532642.db2.gz JZRRNGPFRMOCKC-VIFPVBQESA-N 1 0 206.293 1.294 40 0 BDABRO COC(=O)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000199820213 384557204 /nfs/dbraw/zinc/55/72/04/384557204.db2.gz LZPMSVDJBXOAGK-UHFFFAOYSA-N 1 0 212.636 1.411 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)cc1 ZINC000067173375 384559623 /nfs/dbraw/zinc/55/96/23/384559623.db2.gz FNKALRYQAVQRDR-NWDGAFQWSA-N 1 0 219.284 1.471 40 0 BDABRO O=c1oc2cc(F)ccc2n1C1CC[NH2+]CC1 ZINC000098213416 384605543 /nfs/dbraw/zinc/60/55/43/384605543.db2.gz HYBLJIOWOKBPRA-UHFFFAOYSA-N 1 0 236.246 1.658 40 0 BDABRO COCCn1nc(C[NH3+])c2ccccc21 ZINC000070630839 384601597 /nfs/dbraw/zinc/60/15/97/384601597.db2.gz RTWPVIIJGZVPOS-UHFFFAOYSA-N 1 0 205.261 1.141 40 0 BDABRO [NH3+][C@H]1CCN(Cc2ccccc2)C2(COC2)C1 ZINC000082344125 384668984 /nfs/dbraw/zinc/66/89/84/384668984.db2.gz CCVUPUKVQXRLAJ-ZDUSSCGKSA-N 1 0 232.327 1.379 40 0 BDABRO BrC1=CCC2=[N+]1CC1=C2N=NC1 ZINC000101409675 384672101 /nfs/dbraw/zinc/67/21/01/384672101.db2.gz WILRGSFYXWEQDJ-UHFFFAOYSA-N 1 0 225.069 1.813 40 0 BDABRO [NH3+][C@H]1C[C@H](NC(=O)OCc2ccccc2)C1 ZINC000100135483 384640541 /nfs/dbraw/zinc/64/05/41/384640541.db2.gz DYQPBEFYUZWUNL-PHIMTYICSA-N 1 0 220.272 1.403 40 0 BDABRO c1cncc(O[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000096223626 384782414 /nfs/dbraw/zinc/78/24/14/384782414.db2.gz INGOMGUGJWGNDW-CHWSQXEVSA-N 1 0 234.299 1.372 40 0 BDABRO [NH3+][C@H]1CC[C@@H](NC(=O)C2CCCC2)CC1 ZINC000238689235 384783327 /nfs/dbraw/zinc/78/33/27/384783327.db2.gz XQIAOPKYRQEQAX-XYPYZODXSA-N 1 0 210.321 1.563 40 0 BDABRO Cc1cnc(N2CCC[NH2+]CC2)nc1Cl ZINC000079439992 384870870 /nfs/dbraw/zinc/87/08/70/384870870.db2.gz JANXLZYVTIKIAN-UHFFFAOYSA-N 1 0 226.711 1.238 40 0 BDABRO Clc1ccccc1C[C@@H]1C[NH2+]CCO1 ZINC000071518402 384952446 /nfs/dbraw/zinc/95/24/46/384952446.db2.gz UEJPPPXUQJCYHS-SNVBAGLBSA-N 1 0 211.692 1.871 40 0 BDABRO Fc1ccc(-n2cc3c(n2)CC[NH2+]C3)cc1 ZINC000084930866 384904699 /nfs/dbraw/zinc/90/46/99/384904699.db2.gz LKZDWSQCIGULEU-UHFFFAOYSA-N 1 0 217.247 1.657 40 0 BDABRO O=C1NCC[C@]12CCC[N@H+](Cc1ccco1)CC2 ZINC000108528474 385051384 /nfs/dbraw/zinc/05/13/84/385051384.db2.gz SURKEQRZEKPVJO-AWEZNQCLSA-N 1 0 248.326 1.772 40 0 BDABRO C[NH2+][C@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC000072203484 385056246 /nfs/dbraw/zinc/05/62/46/385056246.db2.gz IUJFUASOJYMGKW-QMMMGPOBSA-N 1 0 245.779 1.980 40 0 BDABRO c1ncc(COC[C@@H]2CCC[NH2+]C2)s1 ZINC000072203783 385057229 /nfs/dbraw/zinc/05/72/29/385057229.db2.gz YZYWHQCODWJKGH-SECBINFHSA-N 1 0 212.318 1.659 40 0 BDABRO c1ncc(COC[C@H]2CCC[NH2+]C2)s1 ZINC000072203784 385058308 /nfs/dbraw/zinc/05/83/08/385058308.db2.gz YZYWHQCODWJKGH-VIFPVBQESA-N 1 0 212.318 1.659 40 0 BDABRO CNC(=O)C[C@@H](c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000072208341 385061920 /nfs/dbraw/zinc/06/19/20/385061920.db2.gz HVIYGSUTDMLSMT-KBPBESRZSA-N 1 0 246.354 1.906 40 0 BDABRO CNC(=O)C[C@@H](c1ccccc1)C1CC[NH2+]CC1 ZINC000072208355 385062666 /nfs/dbraw/zinc/06/26/66/385062666.db2.gz XFINCUOTMRNZAA-AWEZNQCLSA-N 1 0 246.354 1.906 40 0 BDABRO CC[C@@](C)(Nc1ccccc1)[C@@H](C[NH3+])CO ZINC000072210371 385066645 /nfs/dbraw/zinc/06/66/45/385066645.db2.gz MNVSZBWXJWTAFU-WCQYABFASA-N 1 0 222.332 1.834 40 0 BDABRO CCOC(=O)[C@H](N)[C@](C)(CC)[NH+]1CCCC1 ZINC000072210577 385068560 /nfs/dbraw/zinc/06/85/60/385068560.db2.gz BJAFAAUYHPMRIT-JQWIXIFHSA-N 1 0 228.336 1.141 40 0 BDABRO C[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH+]2C)C1 ZINC000225528444 385082475 /nfs/dbraw/zinc/08/24/75/385082475.db2.gz QQVNFJUUBWYODO-XQQFMLRXSA-N 1 0 226.364 1.173 40 0 BDABRO CNc1ncc(C[NH2+]Cc2ccccc2)cn1 ZINC000062717426 385030953 /nfs/dbraw/zinc/03/09/53/385030953.db2.gz RCBNLIXKZRQZQQ-UHFFFAOYSA-N 1 0 228.299 1.808 40 0 BDABRO C[NH+](C)CC[C@@H](C(N)=O)c1ccccc1 ZINC000005599705 385037753 /nfs/dbraw/zinc/03/77/53/385037753.db2.gz MNABLGASNPJRDC-LLVKDONJSA-N 1 0 206.289 1.207 40 0 BDABRO CC(C)[C@H]([NH3+])c1nnc(-c2cccc(O)c2)[nH]1 ZINC000095534720 385045741 /nfs/dbraw/zinc/04/57/41/385045741.db2.gz VRURVAHYTDLBFK-JTQLQIEISA-N 1 0 232.287 1.833 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000072194525 385046693 /nfs/dbraw/zinc/04/66/93/385046693.db2.gz MAJQJMXQZAKIHB-JTQLQIEISA-N 1 0 240.347 1.995 40 0 BDABRO C[NH2+]Cc1ccc(Br)nc1C ZINC000072224009 385116835 /nfs/dbraw/zinc/11/68/35/385116835.db2.gz KWXCEMWWJVQFAO-UHFFFAOYSA-N 1 0 215.094 1.872 40 0 BDABRO c1cnc(N2CCOCC2)c([C@H]2CCCC[NH2+]2)c1 ZINC000072216235 385094175 /nfs/dbraw/zinc/09/41/75/385094175.db2.gz QTCZPIBEWSBKQO-CYBMUJFWSA-N 1 0 247.342 1.733 40 0 BDABRO CC(C)Cn1cc([C@@H](O)C2(C[NH3+])CCC2)cn1 ZINC000085395874 385158608 /nfs/dbraw/zinc/15/86/08/385158608.db2.gz QMDWJRGFFCXERV-GFCCVEGCSA-N 1 0 237.347 1.702 40 0 BDABRO CC(C)Cc1n[nH]c2c1[C@@H]1CC[C@H](C2)[NH2+]1 ZINC000096510289 385244086 /nfs/dbraw/zinc/24/40/86/385244086.db2.gz WNHOEAOUEBMLGS-BDAKNGLRSA-N 1 0 205.305 1.957 40 0 BDABRO CN1C(=O)C(c2ccccc2)=NC12CC[NH2+]CC2 ZINC000096516435 385257704 /nfs/dbraw/zinc/25/77/04/385257704.db2.gz MNFLTHDJRHORKT-UHFFFAOYSA-N 1 0 243.310 1.027 40 0 BDABRO Cc1noc(C)c1Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000096511474 385253296 /nfs/dbraw/zinc/25/32/96/385253296.db2.gz ZSDOQNDDSHAPEC-SNVBAGLBSA-N 1 0 248.286 1.690 40 0 BDABRO COc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000038538979 385311401 /nfs/dbraw/zinc/31/14/01/385311401.db2.gz FVNIYVNCXKSWBF-LLVKDONJSA-N 1 0 207.273 1.262 40 0 BDABRO COc1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1 ZINC000335796161 385321089 /nfs/dbraw/zinc/32/10/89/385321089.db2.gz VPFRKLVMPRESEZ-CYBMUJFWSA-N 1 0 235.327 1.898 40 0 BDABRO Cc1noc(-c2cc([C@H]3CCC[NH2+]C3)[nH]n2)n1 ZINC000096516112 385259507 /nfs/dbraw/zinc/25/95/07/385259507.db2.gz CAPLAOROKZWZFM-QMMMGPOBSA-N 1 0 233.275 1.235 40 0 BDABRO CSCC[C@H]([NH3+])CN1CCCCCC1 ZINC000096523854 385268028 /nfs/dbraw/zinc/26/80/28/385268028.db2.gz NRNUYOIZDFSDNH-NSHDSACASA-N 1 0 216.394 1.943 40 0 BDABRO CC(C)C[C@@H]([NH3+])C(=O)NCC1CC(C)C1 ZINC000096523455 385269075 /nfs/dbraw/zinc/26/90/75/385269075.db2.gz FXZZMTTULQDXTR-VQXHTEKXSA-N 1 0 212.337 1.522 40 0 BDABRO CCN(CC[NH2+]C)Cc1cn(CC)nc1C ZINC000096523943 385272397 /nfs/dbraw/zinc/27/23/97/385272397.db2.gz FFBIKZYSHJCOML-UHFFFAOYSA-N 1 0 224.352 1.253 40 0 BDABRO CC(C)Cn1ncnc1[C@H]1CCC[NH2+]C1 ZINC000096524343 385274665 /nfs/dbraw/zinc/27/46/65/385274665.db2.gz ATMYKWUTNPQOAF-JTQLQIEISA-N 1 0 208.309 1.401 40 0 BDABRO CCCCN(CC)C(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000346094479 385323480 /nfs/dbraw/zinc/32/34/80/385323480.db2.gz PAHVBPMZYOHCDM-GFCCVEGCSA-N 1 0 241.379 1.058 40 0 BDABRO CN(Cc1ccccc1)C(=O)C[NH2+]C1CC1 ZINC000037387023 385642184 /nfs/dbraw/zinc/64/21/84/385642184.db2.gz DQPIZMJMXNQKNG-UHFFFAOYSA-N 1 0 218.300 1.397 40 0 BDABRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[NH2+]C2 ZINC000059711663 385649186 /nfs/dbraw/zinc/64/91/86/385649186.db2.gz CIMSLEQCPCLVPW-CQSZACIVSA-N 1 0 245.326 1.184 40 0 BDABRO c1cncc(CO[C@H]2COC3(C2)CC[NH2+]CC3)c1 ZINC000229923233 385690611 /nfs/dbraw/zinc/69/06/11/385690611.db2.gz KMHAGTPRGQBHGL-CYBMUJFWSA-N 1 0 248.326 1.509 40 0 BDABRO C[NH2+][C@@H](C)C(=O)c1ccc2c(c1)OCCO2 ZINC000041609677 385692545 /nfs/dbraw/zinc/69/25/45/385692545.db2.gz MRFMNGZRIIBJTB-QMMMGPOBSA-N 1 0 221.256 1.248 40 0 in-vitro BDABRO [NH3+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1F ZINC000062713694 385697508 /nfs/dbraw/zinc/69/75/08/385697508.db2.gz ABOJKCPQWAENOQ-GXSJLCMTSA-N 1 0 213.227 1.390 40 0 BDABRO CC[C@@H](C)[C@@H]([NH3+])CN1CCSCC1 ZINC000020257450 385669158 /nfs/dbraw/zinc/66/91/58/385669158.db2.gz DXYMWDCYWUJHRU-ZJUUUORDSA-N 1 0 202.367 1.409 40 0 BDABRO c1cc(-c2cc(C[C@@H]3CCC[NH2+]C3)ncn2)n[nH]1 ZINC000257247200 385754542 /nfs/dbraw/zinc/75/45/42/385754542.db2.gz IXXPHEQITNRGJJ-JTQLQIEISA-N 1 0 243.314 1.409 40 0 BDABRO CN(C)c1cnc(C[C@@H]2CCC[N@H+](C)CC2)cn1 ZINC000257340008 385765199 /nfs/dbraw/zinc/76/51/99/385765199.db2.gz ZECWQTULPRZXJP-GFCCVEGCSA-N 1 0 248.374 1.817 40 0 BDABRO c1cnc(N2CCC3(CCC[NH2+]C3)CC2)nc1 ZINC000257689260 385772995 /nfs/dbraw/zinc/77/29/95/385772995.db2.gz ISTKVYKEZUIKJH-UHFFFAOYSA-N 1 0 232.331 1.447 40 0 BDABRO CS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000218422694 385892138 /nfs/dbraw/zinc/89/21/38/385892138.db2.gz IDKGHMDCFUPBRN-AEJSXWLSSA-N 1 0 245.731 1.178 40 0 BDABRO c1cncc(CO[C@H]2CC[C@@H]3[NH2+]CCO[C@H]32)c1 ZINC000306143174 385992300 /nfs/dbraw/zinc/99/23/00/385992300.db2.gz XVASXYMEOKXDKT-RWMBFGLXSA-N 1 0 234.299 1.118 40 0 BDABRO c1cncc(C[C@@H]2[NH2+]CC[C@@H]2OCC2CC2)c1 ZINC000306129605 385992365 /nfs/dbraw/zinc/99/23/65/385992365.db2.gz IHZKHBGGGAABCJ-KBPBESRZSA-N 1 0 232.327 1.781 40 0 BDABRO C[C@@H]1[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]12 ZINC000261508762 386029004 /nfs/dbraw/zinc/02/90/04/386029004.db2.gz WQOAVSYOMGNWAT-LPEHRKFASA-N 1 0 226.320 1.604 40 0 BDABRO C[NH+](C)CCCNC(=S)Nc1ccncc1 ZINC000225403369 386190365 /nfs/dbraw/zinc/19/03/65/386190365.db2.gz SHUMHMUDEKQWFG-UHFFFAOYSA-N 1 0 238.360 1.320 40 0 BDABRO [NH3+][C@H]1CCC[C@@H]1NCc1ccc2c(c1)OCO2 ZINC000218871855 386363699 /nfs/dbraw/zinc/36/36/99/386363699.db2.gz SWMLYUSDTCZHHV-QWRGUYRKSA-N 1 0 234.299 1.385 40 0 BDABRO [NH3+]Cc1nnc2ccc(-c3ccsc3)nn21 ZINC000328579424 386528015 /nfs/dbraw/zinc/52/80/15/386528015.db2.gz HPJJVALZEQBGDW-UHFFFAOYSA-N 1 0 231.284 1.312 40 0 BDABRO O=C1c2cccc(F)c2CN1[C@@H]1CCC[NH2+]C1 ZINC000098213959 386582706 /nfs/dbraw/zinc/58/27/06/386582706.db2.gz QXLBBIASRURMAJ-SECBINFHSA-N 1 0 234.274 1.534 40 0 BDABRO [NH3+]Cc1ccc2nnc(-c3cccc(F)c3)n2c1 ZINC000098214131 386582735 /nfs/dbraw/zinc/58/27/35/386582735.db2.gz HZJZDEKLIRVYIY-UHFFFAOYSA-N 1 0 242.257 1.994 40 0 BDABRO CCS(=O)(=O)[C@H]1[C@H]([NH3+])[C@@H]1c1cccc(F)c1 ZINC000218545872 386702717 /nfs/dbraw/zinc/70/27/17/386702717.db2.gz VKDAXLOTUGJBND-HBNTYKKESA-N 1 0 243.303 1.054 40 0 BDABRO CO[C@H]1Cn2nccc2C[N@@H+](C2CCCC2)C1 ZINC000247834578 386734948 /nfs/dbraw/zinc/73/49/48/386734948.db2.gz IOPGONIETHSFCO-CYBMUJFWSA-N 1 0 235.331 1.656 40 0 BDABRO Cc1cc(C)cc(CN2C[C@H]3C[C@@]3([NH3+])C2)c1 ZINC000247877461 386736384 /nfs/dbraw/zinc/73/63/84/386736384.db2.gz AXMRCBHFAITPLG-ZIAGYGMSSA-N 1 0 216.328 1.836 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000238212734 387032046 /nfs/dbraw/zinc/03/20/46/387032046.db2.gz NJFBBPHTKSLXPH-BETUJISGSA-N 1 0 240.347 1.853 40 0 BDABRO COC[C@@H]1C[NH2+]Cc2cnn(CC3CCCC3)c21 ZINC000096044742 387012953 /nfs/dbraw/zinc/01/29/53/387012953.db2.gz KEAKKYAIVNWKPK-ZDUSSCGKSA-N 1 0 249.358 1.907 40 0 BDABRO c1nn(CC2CC2)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000575415172 387023498 /nfs/dbraw/zinc/02/34/98/387023498.db2.gz QXZXFBSYKHWXQV-ZDUSSCGKSA-N 1 0 235.331 1.562 40 0 BDABRO F[C@H]1CC[NH2+]C[C@@]12CCN(Cc1ccco1)C2 ZINC000096241252 387024761 /nfs/dbraw/zinc/02/47/61/387024761.db2.gz MQMYWDNJWFITHN-QWHCGFSZSA-N 1 0 238.306 1.803 40 0 BDABRO [NH3+][C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1 ZINC000096260661 387025964 /nfs/dbraw/zinc/02/59/64/387025964.db2.gz ZTJNNRMCMJKKGE-LLVKDONJSA-N 1 0 218.300 1.074 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2)CC1 ZINC000255189161 387293611 /nfs/dbraw/zinc/29/36/11/387293611.db2.gz OCVGSWDIPVHRLV-HAQNSBGRSA-N 1 0 218.300 1.686 40 0 BDABRO [NH3+]CCc1ccnc(Br)c1 ZINC000044397900 387679912 /nfs/dbraw/zinc/67/99/12/387679912.db2.gz NZWKKQOBJFEEAW-UHFFFAOYSA-N 1 0 201.067 1.345 40 0 BDABRO CCOc1ccc(CCN2CC[NH2+]CC2)cc1 ZINC000041264218 387799093 /nfs/dbraw/zinc/79/90/93/387799093.db2.gz RITFTYBXLVLUDA-UHFFFAOYSA-N 1 0 234.343 1.533 40 0 BDABRO CC[NH+](CC)CCCNCc1cnn(C)c1C ZINC000093649224 387849652 /nfs/dbraw/zinc/84/96/52/387849652.db2.gz KLCYSCHACQEQFV-UHFFFAOYSA-N 1 0 238.379 1.550 40 0 BDABRO Cc1ccccc1NC(=O)NC1CC[NH2+]CC1 ZINC000067800559 387855203 /nfs/dbraw/zinc/85/52/03/387855203.db2.gz JCOFSQKETOXYMB-UHFFFAOYSA-N 1 0 233.315 1.869 40 0 BDABRO FC(F)Cn1cc(C[NH2+]C[C@H]2CCCO2)cn1 ZINC000256051052 387859151 /nfs/dbraw/zinc/85/91/51/387859151.db2.gz HMXAOGUWRILFQB-SNVBAGLBSA-N 1 0 245.273 1.417 40 0 BDABRO CC(C)Cn1nccc1CNCCC[NH+](C)C ZINC000256050413 387859490 /nfs/dbraw/zinc/85/94/90/387859490.db2.gz DYGXHNUKHQHIML-UHFFFAOYSA-N 1 0 238.379 1.580 40 0 BDABRO CCCn1nc(C)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000256052755 387861090 /nfs/dbraw/zinc/86/10/90/387861090.db2.gz ONFSKPTYQUKULD-ZDUSSCGKSA-N 1 0 237.347 1.870 40 0 BDABRO Cc1c(C[NH2+]Cc2ccnn2C(C)C)cnn1C ZINC000256055217 387861896 /nfs/dbraw/zinc/86/18/96/387861896.db2.gz ZTUMXEAEDWHGNB-UHFFFAOYSA-N 1 0 247.346 1.796 40 0 BDABRO CN[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000050269879 387954731 /nfs/dbraw/zinc/95/47/31/387954731.db2.gz ZJYXZZRBIYAUPX-MRVPVSSYSA-N 1 0 202.660 1.698 40 0 BDABRO COc1ccc(SC2=[NH+]CCN2)cc1 ZINC000226820267 388355388 /nfs/dbraw/zinc/35/53/88/388355388.db2.gz VJRDYESYNRLMHF-UHFFFAOYSA-N 1 0 208.286 1.747 40 0 BDABRO C[C@@H]1[NH2+]CCC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000217677794 388379374 /nfs/dbraw/zinc/37/93/74/388379374.db2.gz NWFQIKRLZPHXDX-UWVGGRQHSA-N 1 0 228.336 1.994 40 0 BDABRO CCOCCO[C@H]1C[NH2+][C@H](CC(C)C)C1 ZINC000217862809 388383023 /nfs/dbraw/zinc/38/30/23/388383023.db2.gz RXMBQUIOYOLZGS-VXGBXAGGSA-N 1 0 215.337 1.816 40 0 BDABRO CCOCCO[C@H]1C[NH2+][C@H](C(C)C)C1 ZINC000217862347 388383129 /nfs/dbraw/zinc/38/31/29/388383129.db2.gz YDWZNYYNSUAFFI-MNOVXSKESA-N 1 0 201.310 1.426 40 0 BDABRO [NH3+][C@H]1COC[C@@H]1Nc1ccc(Cl)cc1 ZINC000218678085 388391095 /nfs/dbraw/zinc/39/10/95/388391095.db2.gz NCKCBWMEFGIHAU-UWVGGRQHSA-N 1 0 212.680 1.478 40 0 BDABRO CCS(=O)(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@H]1[NH3+] ZINC000242574930 388399523 /nfs/dbraw/zinc/39/95/23/388399523.db2.gz NKBPKNOHJPXKNO-VWYCJHECSA-N 1 0 243.303 1.054 40 0 BDABRO [NH3+]CCOc1nc(C(F)F)cc(C2CC2)n1 ZINC000035655679 388682727 /nfs/dbraw/zinc/68/27/27/388682727.db2.gz GESCXUIMWRAIBZ-UHFFFAOYSA-N 1 0 229.230 1.629 40 0 BDABRO CCOC[C@H]1C[NH2+]Cc2c1cnn2CC ZINC000306130971 388628829 /nfs/dbraw/zinc/62/88/29/388628829.db2.gz JTUKSMDXUNGVDN-SECBINFHSA-N 1 0 209.293 1.126 40 0 BDABRO COC[C@@H]1C[NH2+]Cc2nn(CC3CC3)cc21 ZINC000306136963 388629541 /nfs/dbraw/zinc/62/95/41/388629541.db2.gz QHRUDBQXNPAXMY-JTQLQIEISA-N 1 0 221.304 1.126 40 0 BDABRO CSc1ncc(C[NH2+]C(C)(C)CO)cn1 ZINC000062717200 388656184 /nfs/dbraw/zinc/65/61/84/388656184.db2.gz PBODDKNVSPYYIW-UHFFFAOYSA-N 1 0 227.333 1.059 40 0 BDABRO CC1(c2nc(C3CC3)no2)CC[NH2+]CC1 ZINC000062843234 388657847 /nfs/dbraw/zinc/65/78/47/388657847.db2.gz UBTDCUNUGCCJDQ-UHFFFAOYSA-N 1 0 207.277 1.588 40 0 BDABRO CC(C)[C@H]([NH3+])CN(C)CCc1ccccn1 ZINC000020074313 388755638 /nfs/dbraw/zinc/75/56/38/388755638.db2.gz OVVFIILUGDNMOB-CYBMUJFWSA-N 1 0 221.348 1.539 40 0 BDABRO [NH3+]C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000011888331 388711322 /nfs/dbraw/zinc/71/13/22/388711322.db2.gz OTPUDEQDIQZGOD-NSHDSACASA-N 1 0 222.307 1.996 40 0 BDABRO C[C@H]([NH2+]C1CC1)C(=O)Nc1ccccc1 ZINC000020299946 388762152 /nfs/dbraw/zinc/76/21/52/388762152.db2.gz WZOCSNKLYHIBGU-VIFPVBQESA-N 1 0 204.273 1.766 40 0 BDABRO C[NH+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000022008314 388823988 /nfs/dbraw/zinc/82/39/88/388823988.db2.gz DOMCYLWSTZEWTQ-UHFFFAOYSA-N 1 0 228.336 1.948 40 0 BDABRO Cc1cc(N2CC[NH2+]CC2)nc(C2CC2)n1 ZINC000096516917 132242062 /nfs/dbraw/zinc/24/20/62/132242062.db2.gz CNKKOMXDIPIXEA-UHFFFAOYSA-N 1 0 218.304 1.072 40 0 BDABRO Cc1ccc(N)c(N2CC[NH+](C)CC2)c1 ZINC000079382634 132309930 /nfs/dbraw/zinc/30/99/30/132309930.db2.gz MBNWZYVKPAQESH-UHFFFAOYSA-N 1 0 205.305 1.329 40 0 BDABRO C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000004277352 132316312 /nfs/dbraw/zinc/31/63/12/132316312.db2.gz NMXQVDADIRIPAH-UHFFFAOYSA-N 1 0 206.289 1.243 40 0 BDABRO Cc1cc(NN)[nH+]c(N2CCCCC2)n1 ZINC000008731104 132319293 /nfs/dbraw/zinc/31/92/93/132319293.db2.gz OGBIDXHTKJVDOI-UHFFFAOYSA-N 1 0 207.281 1.061 40 0 BDABRO Cc1cc(NN)[nH+]c(N2CCC(C)CC2)n1 ZINC000057331578 132365575 /nfs/dbraw/zinc/36/55/75/132365575.db2.gz OXRIGUHDBCLZMN-UHFFFAOYSA-N 1 0 221.308 1.307 40 0 BDABRO C[C@@H]1CCCCN1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000080992942 135385164 /nfs/dbraw/zinc/38/51/64/135385164.db2.gz MGYVWEJCZQKKAB-VXGBXAGGSA-N 1 0 224.348 1.920 40 0 BDABRO [NH3+]CCc1cc2nc(-c3ccncc3)ccn2n1 ZINC000013998967 398089025 /nfs/dbraw/zinc/08/90/25/398089025.db2.gz XGQFOKBSQVHGCF-UHFFFAOYSA-N 1 0 239.282 1.293 40 0 BDABRO C[NH+]1CCC(N2CC[NH2+][C@@H]3CCCC[C@H]32)CC1 ZINC000218835213 398090586 /nfs/dbraw/zinc/09/05/86/398090586.db2.gz WEDOSQOFDUQFFJ-ZIAGYGMSSA-N 1 0 237.391 1.297 40 0 BDABRO [NH3+]CCS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000026509229 398053501 /nfs/dbraw/zinc/05/35/01/398053501.db2.gz ZGEXVBXVECRGHW-UHFFFAOYSA-N 1 0 233.720 1.214 40 0 BDABRO CC[NH+](CC)CCS(=O)CC[NH+](CC)CC ZINC000001621760 487598806 /nfs/dbraw/zinc/59/88/06/487598806.db2.gz MWFDWIJVEHBESU-UHFFFAOYSA-N 1 0 248.436 1.419 40 0 BDABRO [NH3+][C@@H]1c2ccc(Br)cc2C[C@H]1O ZINC000072406690 410027777 /nfs/dbraw/zinc/02/77/77/410027777.db2.gz YZIMVSYYLNJRLQ-RKDXNWHRSA-N 1 0 228.089 1.366 40 0 BDABRO CCN(CC)C(=O)c1cc[n+](CC)cc1 ZINC000001675082 169760190 /nfs/dbraw/zinc/76/01/90/169760190.db2.gz WFQWYCWWWVLDRS-UHFFFAOYSA-N 1 0 207.297 1.476 40 0 BDABRO CC(C)CNC(=S)NCC[NH+]1CCCCC1 ZINC000004216834 167000165 /nfs/dbraw/zinc/00/01/65/167000165.db2.gz OBWREWNNFDJLRK-UHFFFAOYSA-N 1 0 243.420 1.592 40 0 BDABRO CC1CC(C[NH3+])([C@H](O)c2ccncc2)C1 ZINC000085396210 168139189 /nfs/dbraw/zinc/13/91/89/168139189.db2.gz BYUCMRXYCBODKW-CKBZRRDASA-N 1 0 206.289 1.490 40 0 BDABRO CC1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000069564010 168175274 /nfs/dbraw/zinc/17/52/74/168175274.db2.gz RKFJLKUHQKPBKA-GFCCVEGCSA-N 1 0 224.348 1.587 40 0 BDABRO CCC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000017466970 168232128 /nfs/dbraw/zinc/23/21/28/168232128.db2.gz LDCQPTDRQJWLOD-NEPJUHHUSA-N 1 0 224.348 1.777 40 0 BDABRO CCNc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329023942 170042013 /nfs/dbraw/zinc/04/20/13/170042013.db2.gz OWNZZCIAIRMQRO-UHFFFAOYSA-N 1 0 246.358 1.984 40 0 BDABRO CCOC(=O)CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000039075748 170197810 /nfs/dbraw/zinc/19/78/10/170197810.db2.gz FEXIQRWMZBXNCT-FGWVZKOKSA-N 1 0 211.305 1.812 40 0 BDABRO CCOC(=O)C[C@@H]([NH3+])Cc1ccccc1O ZINC000199566816 170230790 /nfs/dbraw/zinc/23/07/90/170230790.db2.gz KSFGTHNYJKUWHF-JTQLQIEISA-N 1 0 223.272 1.215 40 0 BDABRO CCOCCC[NH2+]Cc1c(C)cnn1C ZINC000256052835 170380116 /nfs/dbraw/zinc/38/01/16/170380116.db2.gz OWDSAJAGTHPBPU-UHFFFAOYSA-N 1 0 211.309 1.245 40 0 BDABRO CCO[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000062711886 170504409 /nfs/dbraw/zinc/50/44/09/170504409.db2.gz OUYFDOBLIWNFRX-GFCCVEGCSA-N 1 0 225.288 1.740 40 0 BDABRO CCOc1cc(O[C@@H]2CCC[NH2+]C2)ncn1 ZINC000079440339 170528115 /nfs/dbraw/zinc/52/81/15/170528115.db2.gz YNVJCPXNRDYOLY-SECBINFHSA-N 1 0 223.276 1.006 40 0 BDABRO C[C@@H]1CCC[N@H+](Cc2cc(N)nn2C)C1 ZINC000408716670 411905193 /nfs/dbraw/zinc/90/51/93/411905193.db2.gz PNYXBTHXNGGLAN-SECBINFHSA-N 1 0 208.309 1.234 40 0 BDABRO CCc1noc(-c2cccn2CC[NH3+])n1 ZINC000096517057 172072375 /nfs/dbraw/zinc/07/23/75/172072375.db2.gz MFINCYWOGFGIQL-UHFFFAOYSA-N 1 0 206.249 1.059 40 0 BDABRO CCn1cc([C@H](O)C2(C[NH3+])CCC2)cn1 ZINC000085396161 172199546 /nfs/dbraw/zinc/19/95/46/172199546.db2.gz HRWHYHWKJGSHAG-JTQLQIEISA-N 1 0 209.293 1.065 40 0 BDABRO CCn1cccc1-c1noc([C@H]2CCC[NH2+]2)n1 ZINC000328579713 172203548 /nfs/dbraw/zinc/20/35/48/172203548.db2.gz XMFLAIDWOPGLNU-SECBINFHSA-N 1 0 232.287 1.983 40 0 BDABRO CCn1nccc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000096511453 172256933 /nfs/dbraw/zinc/25/69/33/172256933.db2.gz ZQVOZNLKISRYFI-QMMMGPOBSA-N 1 0 233.275 1.378 40 0 BDABRO CN(C)c1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072212608 172558619 /nfs/dbraw/zinc/55/86/19/172558619.db2.gz ZXHWMZRWVKAFGG-NSHDSACASA-N 1 0 205.305 1.962 40 0 BDABRO CN(C)C(=O)c1cccc(C2CC[NH+](C)CC2)n1 ZINC000072379294 173002012 /nfs/dbraw/zinc/00/20/12/173002012.db2.gz LQDWTFRQFMDHEC-UHFFFAOYSA-N 1 0 247.342 1.593 40 0 BDABRO CN(C)c1cccc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072381282 173023542 /nfs/dbraw/zinc/02/35/42/173023542.db2.gz YONCOEFAOFFNFI-LLVKDONJSA-N 1 0 219.332 1.957 40 0 BDABRO C[N@@H+]1CCC[C@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257262437 173047617 /nfs/dbraw/zinc/04/76/17/173047617.db2.gz LLKJTBYRDXWJDG-JTQLQIEISA-N 1 0 243.314 1.676 40 0 BDABRO C[N@@H+]1CCC[C@H](c2ccc(NCCO)cn2)C1 ZINC000072383417 173048524 /nfs/dbraw/zinc/04/85/24/173048524.db2.gz ZWYYMYCMRYQSPD-NSHDSACASA-N 1 0 235.331 1.295 40 0 BDABRO CN1c2ccccc2[C@@]2(CC[N@H+](C)C2)C1=O ZINC000096244806 173137463 /nfs/dbraw/zinc/13/74/63/173137463.db2.gz RXLINJUPWMMDFV-ZDUSSCGKSA-N 1 0 216.284 1.236 40 0 BDABRO C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC000063527603 173198006 /nfs/dbraw/zinc/19/80/06/173198006.db2.gz OFWWUNODGAZMAH-BETUJISGSA-N 1 0 230.311 1.320 40 0 BDABRO C[N@H+]1[C@@H]2CC[C@H]1CC(NCc1cccnc1)C2 ZINC000020524008 173206842 /nfs/dbraw/zinc/20/68/42/173206842.db2.gz ICMHXMJFPIFSGH-AGUYFDCRSA-N 1 0 231.343 1.796 40 0 BDABRO C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000095836523 173360147 /nfs/dbraw/zinc/36/01/47/173360147.db2.gz WTOQUSFLCRJBFZ-UHFFFAOYSA-N 1 0 204.195 1.862 40 0 BDABRO C[NH2+]C[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000072226600 173371516 /nfs/dbraw/zinc/37/15/16/173371516.db2.gz YNMMPOIVCRDIHX-VIFPVBQESA-N 1 0 208.309 1.183 40 0 BDABRO C[NH2+]C[C@H](O)c1cc(O)ccc1Br ZINC000077284975 173376800 /nfs/dbraw/zinc/37/68/00/173376800.db2.gz SKZKBBVZWIUKHL-VIFPVBQESA-N 1 0 246.104 1.408 40 0 in-vitro BDABRO C[NH2+]Cc1c(C)n(C)c2ccc(O)cc12 ZINC000083284869 173384311 /nfs/dbraw/zinc/38/43/11/173384311.db2.gz MLRFPEIIDSWWJT-UHFFFAOYSA-N 1 0 204.273 1.912 40 0 BDABRO COCC(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257332241 174042947 /nfs/dbraw/zinc/04/29/47/174042947.db2.gz XWJHLDPTYYLGLX-AAEUAGOBSA-N 1 0 240.347 1.156 40 0 BDABRO COCCC[NH2+]Cc1cccn1CCCOC ZINC000223678631 174247842 /nfs/dbraw/zinc/24/78/42/174247842.db2.gz BZGZUYLBHPUYKS-UHFFFAOYSA-N 1 0 240.347 1.651 40 0 BDABRO COCCC[NH2+]Cc1ccnn1C(C)C ZINC000256051658 174247860 /nfs/dbraw/zinc/24/78/60/174247860.db2.gz KBBGBFXPSNDTDE-UHFFFAOYSA-N 1 0 211.309 1.590 40 0 BDABRO COCC[N@@H+]1CCC[C@H](Cc2ncccn2)C1 ZINC000257206375 174307339 /nfs/dbraw/zinc/30/73/39/174307339.db2.gz BDCCUAYCOWPKPK-GFCCVEGCSA-N 1 0 235.331 1.378 40 0 BDABRO COCC[NH2+]CCO[C@H]1CCc2ccccc21 ZINC000085393958 174333791 /nfs/dbraw/zinc/33/37/91/174333791.db2.gz NMEFOLROFOBJHF-AWEZNQCLSA-N 1 0 235.327 1.927 40 0 BDABRO COCC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000054720463 174335765 /nfs/dbraw/zinc/33/57/65/174335765.db2.gz GNULKGLQYZHMGA-UHFFFAOYSA-N 1 0 237.225 1.181 40 0 BDABRO COCC[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000054720460 174336089 /nfs/dbraw/zinc/33/60/89/174336089.db2.gz GWMHIRBFTXOZII-UHFFFAOYSA-N 1 0 223.320 1.734 40 0 BDABRO COc1cc(OC)cc([C@@H]2C[C@@H]2C[NH3+])c1 ZINC000054586904 175010925 /nfs/dbraw/zinc/01/09/25/175010925.db2.gz LGXSZDLANONVOM-SKDRFNHKSA-N 1 0 207.273 1.766 40 0 BDABRO COc1cc(OC)cc([C@H]2C[C@H]2C[NH3+])c1 ZINC000054586910 175011647 /nfs/dbraw/zinc/01/16/47/175011647.db2.gz LGXSZDLANONVOM-JOYOIKCWSA-N 1 0 207.273 1.766 40 0 BDABRO COc1cc2c(cc1C[C@H](C)[NH3+])OCO2 ZINC000006020981 175021494 /nfs/dbraw/zinc/02/14/94/175021494.db2.gz GPVJAXJRAZVITB-ZETCQYMHSA-N 1 0 209.245 1.314 40 0 in-vitro BDABRO COc1ccc(-c2oncc2C[NH3+])cc1 ZINC000071508843 175043144 /nfs/dbraw/zinc/04/31/44/175043144.db2.gz BEGKQTPYGVYDNN-UHFFFAOYSA-N 1 0 204.229 1.809 40 0 BDABRO COc1ccc(C)c2c(NCC[NH3+])ccnc12 ZINC000222682517 175070744 /nfs/dbraw/zinc/07/07/44/175070744.db2.gz ICNINXZGBPTDFZ-UHFFFAOYSA-N 1 0 231.299 1.922 40 0 BDABRO COc1ccc(C2(CN3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000096523477 175084331 /nfs/dbraw/zinc/08/43/31/175084331.db2.gz CXSADOMALXXCDT-ZDUSSCGKSA-N 1 0 246.354 1.760 40 0 BDABRO COc1ccc(C2(O)CC[NH2+]CC2)cc1OC ZINC000034439351 175084599 /nfs/dbraw/zinc/08/45/99/175084599.db2.gz CXTWZJFBCDSHDQ-UHFFFAOYSA-N 1 0 237.299 1.275 40 0 BDABRO COc1ccc(C2CC[NH+](CC(N)=O)CC2)cc1 ZINC000072373472 175084866 /nfs/dbraw/zinc/08/48/66/175084866.db2.gz GLEOYWKYFKSKPB-UHFFFAOYSA-N 1 0 248.326 1.360 40 0 BDABRO COc1ccc(C=O)cc1OCC[NH+](C)C ZINC000011961297 175086413 /nfs/dbraw/zinc/08/64/13/175086413.db2.gz SVJJOVPBCMBTOM-UHFFFAOYSA-N 1 0 223.272 1.448 40 0 BDABRO COc1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1F ZINC000038539717 175100139 /nfs/dbraw/zinc/10/01/39/175100139.db2.gz OKMSEIGDLVJSFK-NSHDSACASA-N 1 0 239.290 1.791 40 0 BDABRO COc1ccc(CN2CCC[C@H]([NH3+])C2)cc1F ZINC000038539719 175100359 /nfs/dbraw/zinc/10/03/59/175100359.db2.gz AZABUPWECKTWLH-NSHDSACASA-N 1 0 238.306 1.757 40 0 BDABRO COc1ccc(CN2CC[NH2+][C@@H](C)CC2)cc1 ZINC000049661003 175102070 /nfs/dbraw/zinc/10/20/70/175102070.db2.gz CFCMHELKVQNTLH-LBPRGKRZSA-N 1 0 234.343 1.879 40 0 BDABRO COc1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000095067834 175112076 /nfs/dbraw/zinc/11/20/76/175112076.db2.gz JQNQYLNDYXRZOM-LBPRGKRZSA-N 1 0 220.316 1.537 40 0 BDABRO COc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000074713362 175140785 /nfs/dbraw/zinc/14/07/85/175140785.db2.gz VIDFQXVHRPPTSE-UHFFFAOYSA-N 1 0 248.326 1.976 40 0 BDABRO COc1ccc(OCC[NH+](C)C)c(C=O)c1 ZINC000037093847 175172850 /nfs/dbraw/zinc/17/28/50/175172850.db2.gz DPXPFHZOOOTJEI-UHFFFAOYSA-N 1 0 223.272 1.448 40 0 BDABRO COc1ccc2[nH]cc([C@@H](O)CC[NH3+])c2c1 ZINC000082365542 175202586 /nfs/dbraw/zinc/20/25/86/175202586.db2.gz HMBYUKIBVRMZFF-LBPRGKRZSA-N 1 0 220.272 1.559 40 0 BDABRO COc1cccc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC000041093164 175276106 /nfs/dbraw/zinc/27/61/06/175276106.db2.gz BJJLSCDRGCZCSV-UHFFFAOYSA-N 1 0 249.314 1.569 40 0 BDABRO COc1cccc(OC[C@H]2C[NH2+]CCO2)c1 ZINC000011587414 175284032 /nfs/dbraw/zinc/28/40/32/175284032.db2.gz CAIBSLGEKNOIJR-GFCCVEGCSA-N 1 0 223.272 1.062 40 0 BDABRO COc1cccc([C@H](CO)[NH+]2CCCC2)c1 ZINC000041237239 175293957 /nfs/dbraw/zinc/29/39/57/175293957.db2.gz IPBXPAGIKYBIOX-ZDUSSCGKSA-N 1 0 221.300 1.824 40 0 BDABRO COc1ccccc1[C@@H]1CN(C)C[C@@H]1[NH3+] ZINC000216434944 175348722 /nfs/dbraw/zinc/34/87/22/175348722.db2.gz RBSOSCGVVTWKBK-QWRGUYRKSA-N 1 0 206.289 1.052 40 0 BDABRO COc1ccnc(O[C@H]2CCC[NH2+]C2)c1 ZINC000095483695 175368096 /nfs/dbraw/zinc/36/80/96/175368096.db2.gz ZKDDPJHDPZSNEH-JTQLQIEISA-N 1 0 208.261 1.221 40 0 BDABRO C[C@@H](c1ccccn1)[NH+]1CCC(O)CC1 ZINC000072203932 176027621 /nfs/dbraw/zinc/02/76/21/176027621.db2.gz IUVAEXQMFRVBLP-JTQLQIEISA-N 1 0 206.289 1.599 40 0 BDABRO C[C@@H](c1nccs1)N1CC[NH2+][C@H](C)C1 ZINC000072203940 176038832 /nfs/dbraw/zinc/03/88/32/176038832.db2.gz KFZHVOFFFZHVDL-BDAKNGLRSA-N 1 0 211.334 1.498 40 0 BDABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccoc1 ZINC000072397539 176324360 /nfs/dbraw/zinc/32/43/60/176324360.db2.gz MRBHYZJKKSJHFW-YPMHNXCESA-N 1 0 220.316 1.948 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(F)cc1 ZINC000054370257 176326525 /nfs/dbraw/zinc/32/65/25/176326525.db2.gz WQMDHYSVKCHKEW-SECBINFHSA-N 1 0 222.263 1.260 40 0 BDABRO C[C@@H]1C[NH2+]CCN1CCc1ccccc1 ZINC000041213215 176326559 /nfs/dbraw/zinc/32/65/59/176326559.db2.gz AIBKALAREQBOCN-GFCCVEGCSA-N 1 0 204.317 1.523 40 0 BDABRO C[C@@H]1C[NH2+]CCN1Cc1cc(F)c(F)cc1F ZINC000071978862 176326661 /nfs/dbraw/zinc/32/66/61/176326661.db2.gz GGHLSSJVMYPVKF-MRVPVSSYSA-N 1 0 244.260 1.898 40 0 BDABRO C[C@@H]1CSC=[N+]1C[C@@H](O)c1ccccc1 ZINC000001707347 176349359 /nfs/dbraw/zinc/34/93/59/176349359.db2.gz WWIJZDOVCPQYKX-ZYHUDNBSSA-N 1 0 222.333 1.896 40 0 BDABRO C[C@H](C[NH3+])Oc1cccc(C(F)(F)F)n1 ZINC000217584001 176662311 /nfs/dbraw/zinc/66/23/11/176662311.db2.gz BDWACPHQEMCMSE-ZCFIWIBFSA-N 1 0 220.194 1.826 40 0 BDABRO C[C@H](c1cnccn1)N(C)C1CC[NH2+]CC1 ZINC000072203844 177051816 /nfs/dbraw/zinc/05/18/16/177051816.db2.gz ZSDRVHYYBUTYDC-SNVBAGLBSA-N 1 0 220.320 1.221 40 0 BDABRO CN[C@@H](C(=O)OCc1ccccc1)C(C)C ZINC000001724771 487725638 /nfs/dbraw/zinc/72/56/38/487725638.db2.gz GNXSEJASXOKTCC-GFCCVEGCSA-N 1 0 221.300 1.974 40 0 BDABRO CC[C@H]1CCCC[N@@H+]1Cc1cc(N)n(C)n1 ZINC000058083896 487916458 /nfs/dbraw/zinc/91/64/58/487916458.db2.gz NSCIMBSQTMVVSI-NSHDSACASA-N 1 0 222.336 1.767 40 0 BDABRO CC(C)CN1C(=O)C[C@H]([NH3+])[C@H]1c1cccnc1 ZINC000062209891 323090885 /nfs/dbraw/zinc/09/08/85/323090885.db2.gz MZVMWXNKEYQFOP-WCQYABFASA-N 1 0 233.315 1.338 40 0 BDABRO COC(=O)[C@@H]1C[C@@H]([NH3+])c2cc(F)ccc2O1 ZINC000040546784 323409741 /nfs/dbraw/zinc/40/97/41/323409741.db2.gz GKJNKHRZXFQWAP-SCZZXKLOSA-N 1 0 225.219 1.150 40 0 BDABRO COCC[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717629 518061972 /nfs/dbraw/zinc/06/19/72/518061972.db2.gz BALBGVVZNRQHDB-UHFFFAOYSA-N 1 0 224.308 1.033 40 0 BDABRO CC(C)[N@H+](CCO)[C@@H]1CCCC[C@H]1N(C)C ZINC000248022616 519649000 /nfs/dbraw/zinc/64/90/00/519649000.db2.gz FUGWAFHEEDYZQR-CHWSQXEVSA-N 1 0 228.380 1.562 40 0 BDABRO C[NH2+]Cc1ccc2c(c1)n(C)nc2OC ZINC000225773784 522126435 /nfs/dbraw/zinc/12/64/35/522126435.db2.gz CEVUWUZJXOIUAW-UHFFFAOYSA-N 1 0 205.261 1.301 40 0 BDABRO COc1ccc(Cn2c[nH+]cc2N)cc1 ZINC000199545303 524265503 /nfs/dbraw/zinc/26/55/03/524265503.db2.gz BTQNUWNPUCYTCX-UHFFFAOYSA-N 1 0 203.245 1.522 40 0 BDABRO [NH3+][C@@H]1C[C@H](C(F)(F)F)C[C@@H]2OCC[C@@H]21 ZINC000225763091 527375187 /nfs/dbraw/zinc/37/51/87/527375187.db2.gz JDVVYQROBUQBAO-OSMVPFSASA-N 1 0 209.211 1.691 40 0 BDABRO Nc1ccnc(OCc2ccc(C[NH3+])cc2)n1 ZINC000118682368 582835378 /nfs/dbraw/zinc/83/53/78/582835378.db2.gz ZDQQJAOFCGIVMZ-UHFFFAOYSA-N 1 0 230.271 1.097 40 0 BDABRO Cn1c(=O)ccc2c1CC[N@H+](CC1CCC1)CC2 ZINC000096067727 631644186 /nfs/dbraw/zinc/64/41/86/631644186.db2.gz IWUYLWWMYUDNFF-UHFFFAOYSA-N 1 0 246.354 1.586 40 0 BDABRO CC(C)c1cc([C@H]2CCCN2CC[NH3+])on1 ZINC000022763007 635291538 /nfs/dbraw/zinc/29/15/38/635291538.db2.gz PXXWGZANNCALLF-LLVKDONJSA-N 1 0 223.320 1.894 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC000091305081 644622440 /nfs/dbraw/zinc/62/24/40/644622440.db2.gz WVHBMTCLKVJTOE-GZMMTYOYSA-N 1 0 212.293 1.345 40 0 BDABRO CC(=O)N1C=C([C@@H]2CCCC[NH2+]2)CCC1 ZINC000005160044 979963612 /nfs/dbraw/zinc/96/36/12/979963612.db2.gz APKLQIQRPUDADG-LBPRGKRZSA-N 1 0 208.305 1.655 40 0 BDABRO CCC[NH2+]C1CCc2nc(N)sc2C1 ZINC001560407644 991469445 /nfs/dbraw/zinc/46/94/45/991469445.db2.gz XQUWITIKJGNELZ-UHFFFAOYSA-N 1 0 210.326 1.746 40 0 BDABRO CC1CN(C(=O)OC(C)(C)C)[C@@H](C)C[NH2+]1 ZINC001560411621 991472967 /nfs/dbraw/zinc/47/29/67/991472967.db2.gz SVHOLJPMAGYQEK-VIFPVBQESA-N 1 0 213.301 1.767 40 0 BDABRO CCC(CC)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282583 168336379 /nfs/dbraw/zinc/33/63/79/168336379.db2.gz FQXLJQQPHWUMGI-PHIMTYICSA-N 1 0 210.321 1.100 40 0 BDABRO Cc1cc(C)c(C(=O)NCC[NH+](C)C)cc1C ZINC000074951576 398211494 /nfs/dbraw/zinc/21/14/94/398211494.db2.gz SLVIKMCPPIIRSJ-UHFFFAOYSA-N 1 0 234.343 1.903 40 0 BDABRO Cc1cc(=O)[nH]c(C2CC[NH+](C)CC2)n1 ZINC000257310703 178204066 /nfs/dbraw/zinc/20/40/66/178204066.db2.gz UGEJONVIPGERHG-UHFFFAOYSA-N 1 0 207.277 1.300 40 0 BDABRO Cc1cc2c(cc1C[N@@H+]1CC[C@@H](CO)C1)OCO2 ZINC000013570130 178288860 /nfs/dbraw/zinc/28/88/60/178288860.db2.gz CGVJBJAGEGJGBD-LLVKDONJSA-N 1 0 249.310 1.538 40 0 BDABRO CN1c2ccccc2C[C@@H](CC[NH3+])C1=O ZINC000064874334 259312877 /nfs/dbraw/zinc/31/28/77/259312877.db2.gz SDUARYUMOUSEAK-SNVBAGLBSA-N 1 0 204.273 1.171 40 0 BDABRO OC[C@H](c1ccccc1F)N1CCOCC1 ZINC000070452928 259313460 /nfs/dbraw/zinc/31/34/60/259313460.db2.gz AKWOYAPQBPNVLI-GFCCVEGCSA-N 1 0 225.263 1.191 40 0 BDABRO Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000054370316 178391882 /nfs/dbraw/zinc/39/18/82/178391882.db2.gz FGORNGDKYBLCCA-LLVKDONJSA-N 1 0 218.300 1.429 40 0 BDABRO CC(C)(C)n1c[n+](-c2ccccc2)nn1 ZINC000000071140 342672741 /nfs/dbraw/zinc/67/27/41/342672741.db2.gz ZWINDRFOUHLUCC-UHFFFAOYSA-N 1 0 203.269 1.310 40 0 BDABRO Clc1cccc2c1CN(C1=[NH+]CCN1)C2 ZINC000000006515 342669701 /nfs/dbraw/zinc/66/97/01/342669701.db2.gz IVCMOOBKRRDNHX-UHFFFAOYSA-N 1 0 221.691 1.615 40 0 in-vitro BDABRO CCOC(=O)[C@H](N)[C@H](C(C)C)[NH+](CC)CC ZINC000072210525 259316825 /nfs/dbraw/zinc/31/68/25/259316825.db2.gz GMTBAXOOAFAWOT-MNOVXSKESA-N 1 0 230.352 1.243 40 0 BDABRO CCC[C@H]1[NH2+]CCO[C@@]1(O)c1ccccc1 ZINC000001622221 342706238 /nfs/dbraw/zinc/70/62/38/342706238.db2.gz UXBDYFZMNRGSOT-OLZOCXBDSA-N 1 0 221.300 1.620 40 0 BDABRO Cn1c2ccccc2c2c1CC[NH2+]CC2 ZINC000002018607 342714497 /nfs/dbraw/zinc/71/44/97/342714497.db2.gz ZBXDOQWPGBISAR-UHFFFAOYSA-N 1 0 200.285 1.867 40 0 in-vivo BDABRO Cc1cc(N2CCOCC2)ncc1C1=[NH+]CCC1 ZINC000072219381 259319071 /nfs/dbraw/zinc/31/90/71/259319071.db2.gz RTJPCWQQRHYEKI-UHFFFAOYSA-N 1 0 245.326 1.810 40 0 BDABRO Cc1ccc(NC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000005553230 342765878 /nfs/dbraw/zinc/76/58/78/342765878.db2.gz PWRKHYDMMOLPMK-AWEZNQCLSA-N 1 0 234.343 1.864 40 0 BDABRO CCCCCC[N@H+](C[C@@H](C)O)C[C@H](C)O ZINC000006203331 342774970 /nfs/dbraw/zinc/77/49/70/342774970.db2.gz CFGWPTDWIBCXMS-TXEJJXNPSA-N 1 0 217.353 1.630 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccc1OC ZINC000008699295 342802309 /nfs/dbraw/zinc/80/23/09/342802309.db2.gz MWUXRQCQIMGGAO-WDEREUQCSA-N 1 0 235.283 1.171 40 0 BDABRO O=C(CCN[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043220487 342790910 /nfs/dbraw/zinc/79/09/10/342790910.db2.gz NXJWMQUCLPZTME-ZDUSSCGKSA-N 1 0 232.327 1.601 40 0 BDABRO CCCc1ccc(OC[C@H](O)C[NH3+])cc1 ZINC000008028880 342795755 /nfs/dbraw/zinc/79/57/55/342795755.db2.gz IFHOFCAGQXGAOM-LLVKDONJSA-N 1 0 209.289 1.338 40 0 BDABRO C=Cc1cnc(N2CC[NH2+]CC2)c(C)c1 ZINC000072222545 259320815 /nfs/dbraw/zinc/32/08/15/259320815.db2.gz BQIYGLMVVOGONL-UHFFFAOYSA-N 1 0 203.289 1.443 40 0 BDABRO CCOCC[N@@H+]1C[C@@H](O)C[C@H]1C(C)C ZINC000242677082 259326198 /nfs/dbraw/zinc/32/61/98/259326198.db2.gz SYFIHBZJMLYIOZ-QWRGUYRKSA-N 1 0 201.310 1.114 40 0 BDABRO Cn1cc(C[NH2+]Cc2cc(F)cc(F)c2)cn1 ZINC000012395219 342851025 /nfs/dbraw/zinc/85/10/25/342851025.db2.gz RGTULZHECNZRLP-UHFFFAOYSA-N 1 0 237.253 1.988 40 0 BDABRO Cc1ccoc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096058539 398312338 /nfs/dbraw/zinc/31/23/38/398312338.db2.gz LGEQIPRVIPMLIO-MNOVXSKESA-N 1 0 234.299 1.555 40 0 BDABRO Cn1cc2c(n1)[C@@H](C[NH2+]Cc1ccoc1)OCC2 ZINC000096059675 398312388 /nfs/dbraw/zinc/31/23/88/398312388.db2.gz JUDWIJMPNUJCFY-GFCCVEGCSA-N 1 0 247.298 1.417 40 0 BDABRO C[C@@H](O)C[NH2+]CCNCc1ccccc1Cl ZINC000022074861 136277815 /nfs/dbraw/zinc/27/78/15/136277815.db2.gz DKJPCOIANGDNMT-SNVBAGLBSA-N 1 0 242.750 1.400 40 0 BDABRO COc1ccc(Cn2cnc(C[NH3+])c2)cc1F ZINC000071545331 343302503 /nfs/dbraw/zinc/30/25/03/343302503.db2.gz ATALVEBZROKEDJ-UHFFFAOYSA-N 1 0 235.262 1.538 40 0 BDABRO C[C@H]([NH3+])C(=O)N(C)Cc1ccc(F)cc1 ZINC000035206869 343302870 /nfs/dbraw/zinc/30/28/70/343302870.db2.gz GKDAZGLZHZRCGB-QMMMGPOBSA-N 1 0 210.252 1.131 40 0 BDABRO COC(=O)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000035748333 343303356 /nfs/dbraw/zinc/30/33/56/343303356.db2.gz ZVXFUMAMXNSEGD-VIFPVBQESA-N 1 0 225.263 1.867 40 0 BDABRO CCN(Cc1ccccc1C)C(=O)C[NH3+] ZINC000036199746 343312192 /nfs/dbraw/zinc/31/21/92/343312192.db2.gz UVZFNOGDOQDXNY-UHFFFAOYSA-N 1 0 206.289 1.302 40 0 BDABRO CCN(Cc1cccc(F)c1)C(=O)[C@H](C)[NH3+] ZINC000037801007 343312204 /nfs/dbraw/zinc/31/22/04/343312204.db2.gz SJFIODQDWOYOLH-VIFPVBQESA-N 1 0 224.279 1.521 40 0 BDABRO C[N@H+](CCO)Cc1ccc(Cl)nc1 ZINC000037899261 343313505 /nfs/dbraw/zinc/31/35/05/343313505.db2.gz IFPVSBHFHFSCHH-UHFFFAOYSA-N 1 0 200.669 1.159 40 0 BDABRO CCN(Cc1ccc(F)cc1)C(=O)C[NH3+] ZINC000076584905 343366711 /nfs/dbraw/zinc/36/67/11/343366711.db2.gz CCYKBPJZIJECCT-UHFFFAOYSA-N 1 0 210.252 1.133 40 0 BDABRO CCN(C(=O)OC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000037469824 343346261 /nfs/dbraw/zinc/34/62/61/343346261.db2.gz YSSKLKKEUPUEEM-VIFPVBQESA-N 1 0 214.309 1.605 40 0 BDABRO Cc1cc(-c2ccccc2)n(C(N)=[NH2+])n1 ZINC000006189178 346946107 /nfs/dbraw/zinc/94/61/07/346946107.db2.gz ASKLWRJQWICPMF-UHFFFAOYSA-N 1 0 200.245 1.600 40 0 BDABRO C[C@H](C[NH2+]CCN(C)C)C(=O)OC(C)(C)C ZINC000047219059 343559273 /nfs/dbraw/zinc/55/92/73/343559273.db2.gz CAOMKFBBJBUIGT-SNVBAGLBSA-N 1 0 230.352 1.115 40 0 BDABRO Nc1cc(Cl)ccc1C1=[NH+]CCCN1 ZINC000013519405 346950357 /nfs/dbraw/zinc/95/03/57/346950357.db2.gz OKNJUUMZIIOUJH-UHFFFAOYSA-N 1 0 209.680 1.662 40 0 BDABRO CN[C@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000050269793 259369933 /nfs/dbraw/zinc/36/99/33/259369933.db2.gz VFTJEGSENIZJAG-SECBINFHSA-N 1 0 218.222 1.925 40 0 BDABRO CCN(Cc1cccnc1)C[C@@H]1CCC[NH2+]1 ZINC000096511170 343756522 /nfs/dbraw/zinc/75/65/22/343756522.db2.gz FHSLQNOUWQAVMY-ZDUSSCGKSA-N 1 0 219.332 1.656 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339414487 343791364 /nfs/dbraw/zinc/79/13/64/343791364.db2.gz COSKYFFRQNIANL-LBPRGKRZSA-N 1 0 238.335 1.063 40 0 BDABRO [NH3+]Cc1cn(Cc2cc(F)ccc2F)cn1 ZINC000236231021 343795622 /nfs/dbraw/zinc/79/56/22/343795622.db2.gz JDDOAAOFCCWVTC-UHFFFAOYSA-N 1 0 223.226 1.668 40 0 BDABRO [NH3+]CCCn1cc(-c2cccnc2)cn1 ZINC000379815188 343796205 /nfs/dbraw/zinc/79/62/05/343796205.db2.gz QZUYIAFMYYUWAF-UHFFFAOYSA-N 1 0 202.261 1.294 40 0 BDABRO [NH3+]CCCn1cc(-c2ccsc2)cn1 ZINC000389285196 343810579 /nfs/dbraw/zinc/81/05/79/343810579.db2.gz VDIDNQNMRHQYOV-UHFFFAOYSA-N 1 0 207.302 1.960 40 0 BDABRO Cc1ccccc1-c1ccc(=O)n(CC[NH3+])n1 ZINC000575622825 343875256 /nfs/dbraw/zinc/87/52/56/343875256.db2.gz VCIXSOLVPMDQQI-UHFFFAOYSA-N 1 0 229.283 1.177 40 0 BDABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(=O)[nH]c1 ZINC000068590748 343919554 /nfs/dbraw/zinc/91/95/54/343919554.db2.gz MMRXAHLUPIUIOF-LLVKDONJSA-N 1 0 206.289 1.922 40 0 BDABRO CCCN(CC)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290718 259372700 /nfs/dbraw/zinc/37/27/00/259372700.db2.gz CTKIZNYECPRDES-NSHDSACASA-N 1 0 212.337 1.635 40 0 BDABRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccsc2)C1 ZINC000585107626 344134847 /nfs/dbraw/zinc/13/48/47/344134847.db2.gz ALQLHJFBHMVPPA-ONGXEEELSA-N 1 0 236.340 1.524 40 0 BDABRO Nc1n[nH]c2nc([C@H]3CCCC[NH2+]3)ccc12 ZINC000019695518 347031876 /nfs/dbraw/zinc/03/18/76/347031876.db2.gz KMKAFWCFIQMFMT-MRVPVSSYSA-N 1 0 217.276 1.355 40 0 BDABRO Cc1n[nH]cc1-c1cnc(C[C@@H]2CC[NH2+]C2)cn1 ZINC000585180232 344276762 /nfs/dbraw/zinc/27/67/62/344276762.db2.gz ZYTDWILZFYFOHY-JTQLQIEISA-N 1 0 243.314 1.327 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@]2(CCC(=O)N2)CC1 ZINC000096071913 344366379 /nfs/dbraw/zinc/36/63/79/344366379.db2.gz JIRWYTLNGSMKPY-ZDUSSCGKSA-N 1 0 224.348 1.777 40 0 BDABRO Cc1cc(C)cc(OC[C@H]2C[NH2+]CCO2)c1 ZINC000011587396 344374971 /nfs/dbraw/zinc/37/49/71/344374971.db2.gz XGJAZIQXEVIHPS-CYBMUJFWSA-N 1 0 221.300 1.671 40 0 BDABRO Cc1ccc(OC[C@]2(O)CC[NH2+]C2)cc1 ZINC000585268886 344388228 /nfs/dbraw/zinc/38/82/28/344388228.db2.gz CRENZRQMMBANBX-LBPRGKRZSA-N 1 0 207.273 1.098 40 0 BDABRO CCN(CC)C(=O)c1ccc[n+](CC)c1 ZINC000000286916 345425141 /nfs/dbraw/zinc/42/51/41/345425141.db2.gz PWMJGYYCEVYLKV-UHFFFAOYSA-N 1 0 207.297 1.476 40 0 BDABRO CCc1ccc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC)cc1 ZINC000067173398 345716255 /nfs/dbraw/zinc/71/62/55/345716255.db2.gz JCSGJWKPOAXMPM-STQMWFEESA-N 1 0 233.311 1.725 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(C)c1 ZINC000067173362 345716271 /nfs/dbraw/zinc/71/62/71/345716271.db2.gz IRQBRAFXEUYDDN-RYUDHWBXSA-N 1 0 219.284 1.471 40 0 BDABRO CC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1F ZINC000006440086 346284352 /nfs/dbraw/zinc/28/43/52/346284352.db2.gz QDPQIXRPGZNCHF-GHMZBOCLSA-N 1 0 241.306 1.954 40 0 BDABRO Cc1cccc(CNC(=O)C2CC[NH+](C)CC2)c1 ZINC000074707314 179085669 /nfs/dbraw/zinc/08/56/69/179085669.db2.gz RXKDHBQPQBRUBR-UHFFFAOYSA-N 1 0 246.354 1.953 40 0 BDABRO Cc1cccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)n1 ZINC000096246258 179083970 /nfs/dbraw/zinc/08/39/70/179083970.db2.gz KYPUXXLHKHWPIZ-OCCSQVGLSA-N 1 0 231.343 1.574 40 0 BDABRO Cc1cccc(COC[C@@]23C[NH2+]C[C@@H]2COC3)n1 ZINC000306129683 179103446 /nfs/dbraw/zinc/10/34/46/179103446.db2.gz IJSKXZURSGQEKI-OCCSQVGLSA-N 1 0 248.326 1.143 40 0 BDABRO Cc1cccc(OC[C@@H](O)C[NH2+]C2CC2)c1 ZINC000032013889 179171562 /nfs/dbraw/zinc/17/15/62/179171562.db2.gz VWIQRVMDMIGLEV-LBPRGKRZSA-N 1 0 221.300 1.487 40 0 BDABRO COc1cc(C(N)=[NH2+])ccc1OC(C)C ZINC000019504764 347336562 /nfs/dbraw/zinc/33/65/62/347336562.db2.gz QHMAIWWUMDXCMM-UHFFFAOYSA-N 1 0 208.261 1.766 40 0 BDABRO CC[N@@H+]1CCC[C@@H]1c1cccc(C(=O)NC)n1 ZINC000205675426 347453480 /nfs/dbraw/zinc/45/34/80/347453480.db2.gz DODYLWFIYADOOC-GFCCVEGCSA-N 1 0 233.315 1.598 40 0 BDABRO Cc1ccccc1C(=O)N1CC[NH2+]C[C@H]1C ZINC000054370358 179247462 /nfs/dbraw/zinc/24/74/62/179247462.db2.gz RPFTUXCKTYMTPO-LLVKDONJSA-N 1 0 218.300 1.429 40 0 BDABRO Cc1ccccc1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000077464335 179294301 /nfs/dbraw/zinc/29/43/01/179294301.db2.gz YIWMAAGHDAJZMO-LLVKDONJSA-N 1 0 218.300 1.710 40 0 BDABRO Cc1ccccc1N1CC[C@@H](OCCC[NH3+])C1 ZINC000096528379 179295445 /nfs/dbraw/zinc/29/54/45/179295445.db2.gz WRROPOHCHQSNAO-CYBMUJFWSA-N 1 0 234.343 1.939 40 0 BDABRO Cc1ccccc1NC[C@H]1COCC[NH2+]1 ZINC000216592179 179305999 /nfs/dbraw/zinc/30/59/99/179305999.db2.gz BCZFUAUUUJEXKP-NSHDSACASA-N 1 0 206.289 1.395 40 0 BDABRO OC1(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)CCCCC1 ZINC000205689668 348575832 /nfs/dbraw/zinc/57/58/32/348575832.db2.gz GBJQDNYBYWBUBT-LBPRGKRZSA-N 1 0 249.358 1.894 40 0 BDABRO COc1ccc(C[NH2+]Cc2cnc(N)nc2)cc1 ZINC000062717391 259406704 /nfs/dbraw/zinc/40/67/04/259406704.db2.gz LQOPFHLQPVIUOB-UHFFFAOYSA-N 1 0 244.298 1.357 40 0 BDABRO Cc1ccc2[nH]c(CN3CC[NH2+][C@@H](C)C3)nc2c1 ZINC000022122116 350083509 /nfs/dbraw/zinc/08/35/09/350083509.db2.gz PDGUESZIZZKQRT-NSHDSACASA-N 1 0 244.342 1.665 40 0 BDABRO COC(=O)[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000022123338 350084381 /nfs/dbraw/zinc/08/43/81/350084381.db2.gz DZFTVPOHLWWIRN-NSHDSACASA-N 1 0 213.321 1.916 40 0 BDABRO CCC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005427992 350087084 /nfs/dbraw/zinc/08/70/84/350087084.db2.gz LDCQPTDRQJWLOD-VXGBXAGGSA-N 1 0 224.348 1.777 40 0 BDABRO Cc1nc([C@@H]2CCC[N@@H+]2C)cc(N(C)C)n1 ZINC000257328903 180044860 /nfs/dbraw/zinc/04/48/60/180044860.db2.gz XHNQJICVNIGWNX-NSHDSACASA-N 1 0 220.320 1.618 40 0 BDABRO Cc1nc([C@@H]2CCC[N@@H+]2CC2CC2)cc(=O)[nH]1 ZINC000072361361 180045342 /nfs/dbraw/zinc/04/53/42/180045342.db2.gz YUKYOVWJQMEFAS-LBPRGKRZSA-N 1 0 233.315 1.625 40 0 BDABRO Cc1ncc([C@@H](C[NH3+])N2CCCCC2)cn1 ZINC000074073206 180174321 /nfs/dbraw/zinc/17/43/21/180174321.db2.gz SLCWACIQXYOTGW-GFCCVEGCSA-N 1 0 220.320 1.271 40 0 BDABRO Cc1nccc([C@]2(C)CCC[N@@H+](C)C2)n1 ZINC000072381263 180208690 /nfs/dbraw/zinc/20/86/90/180208690.db2.gz CDKGVDYQBFPASO-GFCCVEGCSA-N 1 0 205.305 1.768 40 0 BDABRO NNc1[nH+]ncc(N2CCCC2)c1Cl ZINC000039630074 350342315 /nfs/dbraw/zinc/34/23/15/350342315.db2.gz JANZOEAURSMTHO-UHFFFAOYSA-N 1 0 213.672 1.016 40 0 BDABRO CCc1ccc(OCCN2CCC[NH2+]CC2)cc1 ZINC000041302303 350629739 /nfs/dbraw/zinc/62/97/39/350629739.db2.gz ZDMMTPLIYLZHTR-UHFFFAOYSA-N 1 0 248.370 1.923 40 0 BDABRO C[C@@]12C[N@H+](Cc3ccccc3)C[C@H]1COC2=O ZINC000253592115 350932078 /nfs/dbraw/zinc/93/20/78/350932078.db2.gz WYYLGDWDFHKZPL-GXTWGEPZSA-N 1 0 231.295 1.682 40 0 BDABRO C[C@@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000037245796 363148514 /nfs/dbraw/zinc/14/85/14/363148514.db2.gz YOAIYGQJRGDYKW-VIFPVBQESA-N 1 0 207.273 1.910 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1cccc(F)c1 ZINC000020266678 363145326 /nfs/dbraw/zinc/14/53/26/363145326.db2.gz DFYHRFLVRGNCCJ-LBPRGKRZSA-N 1 0 238.306 1.767 40 0 BDABRO CCOc1ccccc1[C@@H](C[NH3+])N(C)C ZINC000019796134 353120470 /nfs/dbraw/zinc/12/04/70/353120470.db2.gz BSRJPKHPOWGXHU-LLVKDONJSA-N 1 0 208.305 1.647 40 0 BDABRO FC(F)(F)c1cc(C2CC[NH2+]CC2)ncn1 ZINC000019686444 180891668 /nfs/dbraw/zinc/89/16/68/180891668.db2.gz BBPQPKXFTHTEPN-UHFFFAOYSA-N 1 0 231.221 1.962 40 0 BDABRO Fc1ccc(CN2CC[NH2+]CC2)s1 ZINC000067802931 180966094 /nfs/dbraw/zinc/96/60/94/180966094.db2.gz JLVCTEVGLQEPSM-UHFFFAOYSA-N 1 0 200.282 1.292 40 0 BDABRO CC(=O)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC000019686836 188461581 /nfs/dbraw/zinc/46/15/81/188461581.db2.gz XFWZSAHPUPEYLA-GFCCVEGCSA-N 1 0 210.321 1.387 40 0 BDABRO Fc1cccc(F)c1CN1CCC[NH2+]CC1 ZINC000038086939 180999935 /nfs/dbraw/zinc/99/99/35/180999935.db2.gz PFGDUYKLKKCLLC-UHFFFAOYSA-N 1 0 226.270 1.760 40 0 BDABRO CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044857199 188480724 /nfs/dbraw/zinc/48/07/24/188480724.db2.gz UZENRLJXWOMHLT-UHFFFAOYSA-N 1 0 232.327 1.919 40 0 BDABRO [NH3+]Cc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000091252803 188499049 /nfs/dbraw/zinc/49/90/49/188499049.db2.gz YQPOVRLFYHVUFY-UHFFFAOYSA-N 1 0 239.218 1.439 40 0 BDABRO COCC1(C)CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000335969887 134029236 /nfs/dbraw/zinc/02/92/36/134029236.db2.gz AOPVWZOMKAFEPY-LLVKDONJSA-N 1 0 240.347 1.014 40 0 BDABRO [NH3+][C@H](CC(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000019440015 355331777 /nfs/dbraw/zinc/33/17/77/355331777.db2.gz DMZJZKJDHOFBDB-QWHCGFSZSA-N 1 0 248.326 1.372 40 0 BDABRO NC(=[NH2+])COc1ccc(F)cc1Br ZINC000055364113 181186228 /nfs/dbraw/zinc/18/62/28/181186228.db2.gz IAINXFDCYAHHKQ-UHFFFAOYSA-N 1 0 247.067 1.903 40 0 BDABRO NC(=[NH2+])SCc1nc(-c2ccco2)no1 ZINC000083589448 181193033 /nfs/dbraw/zinc/19/30/33/181193033.db2.gz LYFVMHXCUSHOII-UHFFFAOYSA-N 1 0 224.245 1.456 40 0 BDABRO NC(=[NH2+])c1ccncc1Br ZINC000199769889 181196878 /nfs/dbraw/zinc/19/68/78/181196878.db2.gz HKLVFXJWTRYUQB-UHFFFAOYSA-N 1 0 200.039 1.128 40 0 BDABRO NC(=[NH2+])c1sccc1Br ZINC000084298011 181196895 /nfs/dbraw/zinc/19/68/95/181196895.db2.gz FZKRMBUNXWYMLG-UHFFFAOYSA-N 1 0 205.080 1.795 40 0 BDABRO CC[N@@H+]1CCC[C@@H](Nc2ncccc2N)C1 ZINC000049193288 355959922 /nfs/dbraw/zinc/95/99/22/355959922.db2.gz JFOUONBEBZLARB-SNVBAGLBSA-N 1 0 220.320 1.560 40 0 BDABRO COc1ccc(CC[NH2+]C[C@H](C)O)cc1 ZINC000037488799 358072914 /nfs/dbraw/zinc/07/29/14/358072914.db2.gz XRGRLOPSKDLWEE-JTQLQIEISA-N 1 0 209.289 1.208 40 0 BDABRO Cc1c(Br)ccc2[nH+]cc(N)n21 ZINC000238506275 361129702 /nfs/dbraw/zinc/12/97/02/361129702.db2.gz GOKCFNWAKOSIEH-UHFFFAOYSA-N 1 0 226.077 1.987 40 0 BDABRO [NH3+]C1CCN(CC(=O)c2ccccc2)CC1 ZINC000050158284 181343446 /nfs/dbraw/zinc/34/34/46/181343446.db2.gz FVHGRVNPIGVYBJ-UHFFFAOYSA-N 1 0 218.300 1.292 40 0 BDABRO [NH3+]C1CCN(Cc2cccc(F)c2F)CC1 ZINC000037412682 181344942 /nfs/dbraw/zinc/34/49/42/181344942.db2.gz NVRMNFSPLNDWGX-UHFFFAOYSA-N 1 0 226.270 1.888 40 0 BDABRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccn1 ZINC000011805473 370760314 /nfs/dbraw/zinc/76/03/14/370760314.db2.gz SBCMBPWGCXAFCF-KOLCDFICSA-N 1 0 221.304 1.071 40 0 BDABRO [NH3+]CCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000029395077 181391578 /nfs/dbraw/zinc/39/15/78/181391578.db2.gz SEWZPYPLFLUCCE-UHFFFAOYSA-N 1 0 240.262 1.395 40 0 BDABRO [NH3+]CCN(Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000032103628 181390452 /nfs/dbraw/zinc/39/04/52/181390452.db2.gz PJKHVMMPALEKSR-UHFFFAOYSA-N 1 0 248.326 1.381 40 0 BDABRO [NH3+]CCNc1cccc(Br)c1 ZINC000019732750 181398263 /nfs/dbraw/zinc/39/82/63/181398263.db2.gz XWASBZNKFJVMAU-UHFFFAOYSA-N 1 0 215.094 1.820 40 0 BDABRO [NH3+]CCNc1ccnc2c(F)cccc12 ZINC000107196305 181398691 /nfs/dbraw/zinc/39/86/91/181398691.db2.gz MGXUTKWVNCXQAY-UHFFFAOYSA-N 1 0 205.236 1.745 40 0 BDABRO [NH3+]C[C@@H](O)CNc1ccccc1Br ZINC000005162266 181421669 /nfs/dbraw/zinc/42/16/69/181421669.db2.gz SFEBOPIYELCDSW-SSDOTTSWSA-N 1 0 245.120 1.181 40 0 BDABRO O=C(c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000142374541 368347971 /nfs/dbraw/zinc/34/79/71/368347971.db2.gz RBEOXZJNMAPXLN-UHFFFAOYSA-N 1 0 244.338 1.902 40 0 BDABRO Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000205682448 368356701 /nfs/dbraw/zinc/35/67/01/368356701.db2.gz JQIPIFNWRXFEID-LLVKDONJSA-N 1 0 245.330 1.821 40 0 BDABRO c1cnc(C[C@@H]2COC3(C2)CC[NH2+]CC3)cn1 ZINC000205674724 368357177 /nfs/dbraw/zinc/35/71/77/368357177.db2.gz XVPCQYXQAIGZRT-NSHDSACASA-N 1 0 233.315 1.178 40 0 BDABRO Cn1ccnc1-c1cc(C[C@H]2CC[NH2+]C2)ncn1 ZINC000205687144 368358027 /nfs/dbraw/zinc/35/80/27/368358027.db2.gz MNVWNJSAOTWNAL-SNVBAGLBSA-N 1 0 243.314 1.029 40 0 BDABRO Cn1ccnc1-c1nccnc1C1CC[NH2+]CC1 ZINC000205690252 368358415 /nfs/dbraw/zinc/35/84/15/368358415.db2.gz BPXJLWAYAHJWOM-UHFFFAOYSA-N 1 0 243.314 1.344 40 0 BDABRO [NH3+][C@@H]1CCCc2c1ccc(=O)n2C(F)F ZINC000252479632 370053453 /nfs/dbraw/zinc/05/34/53/370053453.db2.gz BJAPXXAVJUFPFY-SSDOTTSWSA-N 1 0 214.215 1.580 40 0 BDABRO C[C@@H]1CN([C@]23C[NH2+]C[C@]24CCC[C@@H]43)C[C@H](C)O1 ZINC000242687311 259545176 /nfs/dbraw/zinc/54/51/76/259545176.db2.gz UERGXCPSVLJPPD-NDKCEZKHSA-N 1 0 236.359 1.238 40 0 BDABRO [NH3+][C@@H](CCCC[NH2+]C1CCCCC1)C(=O)[O-] ZINC000001672446 181542291 /nfs/dbraw/zinc/54/22/91/181542291.db2.gz PVSCEBQLSKNNAT-NSHDSACASA-N 1 0 228.336 1.491 40 0 BDABRO c1ncc(-c2ccc([C@@H]3C[NH2+]CCO3)nc2)cn1 ZINC000019695384 371183560 /nfs/dbraw/zinc/18/35/60/371183560.db2.gz ZPNOIDUCOCIXJN-ZDUSSCGKSA-N 1 0 242.282 1.200 40 0 BDABRO OC[C@H]1C[NH2+]C[C@H]1c1ccccc1Cl ZINC000215721085 371618911 /nfs/dbraw/zinc/61/89/11/371618911.db2.gz MGNQLOJYBBCILH-PSASIEDQSA-N 1 0 211.692 1.635 40 0 BDABRO O=C(CC1CC[NH2+]CC1)N1CCCCCC1 ZINC000019478982 181896248 /nfs/dbraw/zinc/89/62/48/181896248.db2.gz ZFRKCGOQDMVSER-UHFFFAOYSA-N 1 0 224.348 1.779 40 0 BDABRO Clc1ccccc1CCN1CC[NH2+]CC1 ZINC000041245319 374122509 /nfs/dbraw/zinc/12/25/09/374122509.db2.gz LXPPFUQUPZHDOE-UHFFFAOYSA-N 1 0 224.735 1.788 40 0 BDABRO O=C(Nc1ccccc1)[C@H]1C[C@@H]2C[NH2+]C[C@H]1O2 ZINC000096253402 182376842 /nfs/dbraw/zinc/37/68/42/182376842.db2.gz BQAHLQBTNLLTFK-GRYCIOLGSA-N 1 0 232.283 1.002 40 0 BDABRO O=C(c1ccsc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282384 182695054 /nfs/dbraw/zinc/69/50/54/182695054.db2.gz NLZZZCNEHWENFE-AOOOYVTPSA-N 1 0 222.313 1.040 40 0 BDABRO O=C1N(c2cccnc2)CC[C@]12CCC[NH2+]C2 ZINC000096157225 182789525 /nfs/dbraw/zinc/78/95/25/182789525.db2.gz PXUFOMGXPQEEJF-ZDUSSCGKSA-N 1 0 231.299 1.188 40 0 BDABRO OC1(Cn2cnc3ccccc32)CC[NH2+]CC1 ZINC000019376687 183022269 /nfs/dbraw/zinc/02/22/69/183022269.db2.gz CERBDBHTMBDLSV-UHFFFAOYSA-N 1 0 231.299 1.151 40 0 BDABRO OCCCN1CC[NH+]([C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000096452060 183056031 /nfs/dbraw/zinc/05/60/31/183056031.db2.gz UZOSDLIXRVFDFT-RDBSUJKOSA-N 1 0 238.375 1.175 40 0 BDABRO OCC[C@@H]1C[NH2+]Cc2c(Cl)cccc21 ZINC000095884230 183094192 /nfs/dbraw/zinc/09/41/92/183094192.db2.gz NDSTTYGLXFFSBY-MRVPVSSYSA-N 1 0 211.692 1.909 40 0 BDABRO OCC[n+]1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000005635541 183100503 /nfs/dbraw/zinc/10/05/03/183100503.db2.gz JBRIYVWZPCYJKN-UHFFFAOYSA-N 1 0 240.286 1.510 40 0 BDABRO O[C@@H]1C[C@H](c2ccccc2)[C@@H]([NH2+]CC2CC2)[C@@H]1O ZINC000096296151 183213819 /nfs/dbraw/zinc/21/38/19/183213819.db2.gz FCZUKGAFEVERGJ-KBUPBQIOSA-N 1 0 247.338 1.264 40 0 biogenic,in-vitro BDABRO O[C@@]1(C(F)(F)F)CC[NH2+]CC[C@H]1F ZINC000261508314 183215227 /nfs/dbraw/zinc/21/52/27/183215227.db2.gz RHNGOAYKQPFGFC-RITPCOANSA-N 1 0 201.163 1.001 40 0 BDABRO c1c(N2CCC[NH2+]CC2)n[nH]c1C1CC1 ZINC000096517175 183321383 /nfs/dbraw/zinc/32/13/83/183321383.db2.gz JDKDSAJSAACZBP-UHFFFAOYSA-N 1 0 206.293 1.087 40 0 BDABRO c1c[nH]c(-c2nccnc2C2CC[NH2+]CC2)n1 ZINC000257341482 183322621 /nfs/dbraw/zinc/32/26/21/183322621.db2.gz ZKNMDXHWCZKDQG-UHFFFAOYSA-N 1 0 229.287 1.334 40 0 BDABRO c1c[nH]c(-c2nccnc2C[C@@H]2CCC[NH2+]C2)n1 ZINC000257309285 183323704 /nfs/dbraw/zinc/32/37/04/183323704.db2.gz UAIHBZXKQHHURR-JTQLQIEISA-N 1 0 243.314 1.409 40 0 BDABRO c1cc(-c2ccc(C[C@@H]3CC[NH2+]C3)cn2)n[nH]1 ZINC000257325271 183328912 /nfs/dbraw/zinc/32/89/12/183328912.db2.gz WSFBPNTVXJCQMF-NSHDSACASA-N 1 0 228.299 1.624 40 0 BDABRO c1cc(-c2nc(CC3CC[NH2+]CC3)no2)co1 ZINC000096511468 183330914 /nfs/dbraw/zinc/33/09/14/183330914.db2.gz QXXABSMYNKHCRG-UHFFFAOYSA-N 1 0 233.271 1.872 40 0 BDABRO c1cc([C@@H]2CC[N@@H+](Cc3ccncc3)C2)n[nH]1 ZINC000072187722 183345507 /nfs/dbraw/zinc/34/55/07/183345507.db2.gz AYDGUHQZRVTPBJ-GFCCVEGCSA-N 1 0 228.299 1.794 40 0 BDABRO c1cc2c(c(OCC3=[NH+]CCN3)c1)CCC2 ZINC000001668970 183364918 /nfs/dbraw/zinc/36/49/18/183364918.db2.gz SVVDDHVVPCOPQI-UHFFFAOYSA-N 1 0 216.284 1.556 40 0 BDABRO c1cc([C@@H]2CCC[NH2+]2)ncc1CN1CCOCC1 ZINC000257198140 183360304 /nfs/dbraw/zinc/36/03/04/183360304.db2.gz UJQZCWYSXVQXIR-ZDUSSCGKSA-N 1 0 247.342 1.338 40 0 BDABRO CCC[NH2+]Cc1ccnn1CC(F)(F)F ZINC000256049643 169268001 /nfs/dbraw/zinc/26/80/01/169268001.db2.gz ATDDZCCKZFYHEI-UHFFFAOYSA-N 1 0 221.226 1.945 40 0 BDABRO CCC[NH2+][C@H]1CCc2nc(N)sc2[C@@H]1O ZINC000065742992 169292537 /nfs/dbraw/zinc/29/25/37/169292537.db2.gz UWNDKVURLHPSSG-POYBYMJQSA-N 1 0 227.333 1.073 40 0 in-vitro BDABRO c1ccc2c(c1)CCC[C@@]21COCC[NH2+]1 ZINC000083344040 183441922 /nfs/dbraw/zinc/44/19/22/183441922.db2.gz MWVJFPJJSLDRLY-CYBMUJFWSA-N 1 0 203.285 1.838 40 0 BDABRO c1cncc(N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC000096222818 183497531 /nfs/dbraw/zinc/49/75/31/183497531.db2.gz UABSRGDCVKHCIB-OLZOCXBDSA-N 1 0 233.315 1.405 40 0 BDABRO c1cncc(N[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC000096220083 183497969 /nfs/dbraw/zinc/49/79/69/183497969.db2.gz YVVURQKLCZVCMP-NWDGAFQWSA-N 1 0 219.288 1.015 40 0 BDABRO CCC[C@@H]([NH3+])CN(C)Cc1c(C)nn(C)c1C ZINC000096523988 169392488 /nfs/dbraw/zinc/39/24/88/169392488.db2.gz VDFXLKMMNJIMSV-GFCCVEGCSA-N 1 0 238.379 1.596 40 0 BDABRO CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C[NH3+] ZINC000095803012 166644628 /nfs/dbraw/zinc/64/46/28/166644628.db2.gz SUMSUPZIMDXTDF-VIFPVBQESA-N 1 0 226.320 1.735 40 0 BDABRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2 ZINC000091305088 166667769 /nfs/dbraw/zinc/66/77/69/166667769.db2.gz VERHYGQTHIOMQC-IWSPIJDZSA-N 1 0 212.293 1.262 40 0 BDABRO C[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000067285209 383918969 /nfs/dbraw/zinc/91/89/69/383918969.db2.gz RBKLATRCGUJVST-LLVKDONJSA-N 1 0 224.348 1.777 40 0 BDABRO C[NH+](C)CCCN1Cc2ccccc2C1 ZINC000001677226 383921292 /nfs/dbraw/zinc/92/12/92/383921292.db2.gz NPHMVFQXZNFFRR-UHFFFAOYSA-N 1 0 204.317 1.954 40 0 BDABRO CCN(CC[NH3+])Cc1ccc(OC)cc1 ZINC000039318902 383902197 /nfs/dbraw/zinc/90/21/97/383902197.db2.gz NGEVOIHRMKJPNZ-UHFFFAOYSA-N 1 0 208.305 1.476 40 0 BDABRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH2+]1 ZINC000039091299 384100481 /nfs/dbraw/zinc/10/04/81/384100481.db2.gz HBFRNKXGNAOUDC-SFYZADRCSA-N 1 0 200.282 1.262 40 0 BDABRO CN(C)C1=[NH+][C@@H](c2ccccc2)CN1C ZINC000005510215 384117444 /nfs/dbraw/zinc/11/74/44/384117444.db2.gz KDYMYZBEECQBIS-LLVKDONJSA-N 1 0 203.289 1.591 40 0 BDABRO C[C@@H]([NH3+])c1cccnc1Br ZINC000091355933 384120659 /nfs/dbraw/zinc/12/06/59/384120659.db2.gz HSQGKURNDNZGRM-RXMQYKEDSA-N 1 0 201.067 1.864 40 0 BDABRO COC(=O)c1ccc(CN2CC[NH2+]C[C@H]2C)cc1 ZINC000039952486 384123325 /nfs/dbraw/zinc/12/33/25/384123325.db2.gz VJJUZMBKVWKSAQ-LLVKDONJSA-N 1 0 248.326 1.267 40 0 BDABRO CCc1nccn1-c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000072344153 384207119 /nfs/dbraw/zinc/20/71/19/384207119.db2.gz WCXJHQBSUIPWCO-JTQLQIEISA-N 1 0 243.314 1.649 40 0 BDABRO c1cn(-c2nccnc2[C@H]2CCC[NH2+]2)cn1 ZINC000072344171 384207802 /nfs/dbraw/zinc/20/78/02/384207802.db2.gz MXSCSOOPAQFFIY-SECBINFHSA-N 1 0 215.260 1.087 40 0 BDABRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000072187437 384198466 /nfs/dbraw/zinc/19/84/66/384198466.db2.gz LNTDJAQQPGLCGB-STQMWFEESA-N 1 0 249.310 1.042 40 0 BDABRO c1cn(-c2nccnc2[C@@H]2CCC[NH2+]2)cn1 ZINC000072344170 384208850 /nfs/dbraw/zinc/20/88/50/384208850.db2.gz MXSCSOOPAQFFIY-VIFPVBQESA-N 1 0 215.260 1.087 40 0 BDABRO Nc1nccc([C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000072356831 384211884 /nfs/dbraw/zinc/21/18/84/384211884.db2.gz AOEBSJKRMYLQBK-JTQLQIEISA-N 1 0 232.331 1.791 40 0 BDABRO Nc1nccc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072357346 384214691 /nfs/dbraw/zinc/21/46/91/384214691.db2.gz FQHWZKHGFMEONY-GFCCVEGCSA-N 1 0 248.330 1.375 40 0 BDABRO CC(C)[NH+]1CC(c2[nH]nc3nccnc32)C1 ZINC000072381398 384216648 /nfs/dbraw/zinc/21/66/48/384216648.db2.gz NESXQOLDHREOHQ-UHFFFAOYSA-N 1 0 217.276 1.161 40 0 BDABRO c1cn(-c2cnc([C@@H]3CCC[NH2+]C3)cn2)cn1 ZINC000072386549 384220475 /nfs/dbraw/zinc/22/04/75/384220475.db2.gz QMIBXJIJRMRNHD-SNVBAGLBSA-N 1 0 229.287 1.129 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000075418443 384264910 /nfs/dbraw/zinc/26/49/10/384264910.db2.gz OZNZRGYPCXWEAQ-GZMMTYOYSA-N 1 0 245.319 1.649 40 0 BDABRO CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000082370885 384264986 /nfs/dbraw/zinc/26/49/86/384264986.db2.gz ZFUJATNIGNCUKO-IUCAKERBSA-N 1 0 214.309 1.591 40 0 BDABRO CCOc1ccc([C@@H](O)C[NH3+])cc1OCC ZINC000059700224 384328939 /nfs/dbraw/zinc/32/89/39/384328939.db2.gz MHZKJOSBJYJMHA-JTQLQIEISA-N 1 0 225.288 1.476 40 0 BDABRO Cc1nnc([C@@H]2C[C@H]3C[N@@H+](C4CCC4)C[C@H]3O2)[nH]1 ZINC000096045888 384426743 /nfs/dbraw/zinc/42/67/43/384426743.db2.gz CHGJGOSNMRBHIS-ZMLRMANQSA-N 1 0 248.330 1.427 40 0 BDABRO [NH3+]C[C@H]1CN(Cc2cccc(Cl)c2)CCO1 ZINC000016083133 384451415 /nfs/dbraw/zinc/45/14/15/384451415.db2.gz MSRSSSIIOKVGIL-LBPRGKRZSA-N 1 0 240.734 1.500 40 0 BDABRO COc1cc(C[NH3+])c(OC)cc1Cl ZINC000071464441 384452213 /nfs/dbraw/zinc/45/22/13/384452213.db2.gz LTFKAPKDWJBBMW-UHFFFAOYSA-N 1 0 201.653 1.816 40 0 BDABRO COc1ccc(C[NH+]2C[C@@H]3COC[C@H]3C2)cc1 ZINC000096054909 384429551 /nfs/dbraw/zinc/42/95/51/384429551.db2.gz SLBHJOUWXGWGCR-CHWSQXEVSA-N 1 0 233.311 1.773 40 0 BDABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CC2)N1CC1CC1 ZINC000096056557 384429915 /nfs/dbraw/zinc/42/99/15/384429915.db2.gz RLRPIOWBKKWZHG-ZIAGYGMSSA-N 1 0 248.370 1.872 40 0 BDABRO c1cncc(N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC000096222821 384442507 /nfs/dbraw/zinc/44/25/07/384442507.db2.gz UABSRGDCVKHCIB-STQMWFEESA-N 1 0 233.315 1.405 40 0 BDABRO C[NH+](C)CCCNC(=O)Cc1ccccc1F ZINC000047652881 384461369 /nfs/dbraw/zinc/46/13/69/384461369.db2.gz SUGHKMYZLDNCKY-UHFFFAOYSA-N 1 0 238.306 1.436 40 0 BDABRO c1ccc2c(CC3=[NH+]CCN3)noc2c1 ZINC000001865723 384469231 /nfs/dbraw/zinc/46/92/31/384469231.db2.gz MTWLXNPDEBJDBW-UHFFFAOYSA-N 1 0 201.229 1.372 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000079033800 384478668 /nfs/dbraw/zinc/47/86/68/384478668.db2.gz WHVRANRQYMSGMH-MNOVXSKESA-N 1 0 240.347 1.995 40 0 BDABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cc(CO)n[nH]1 ZINC000019695397 384534757 /nfs/dbraw/zinc/53/47/57/384534757.db2.gz KYQGWBLFAODZNN-GFCCVEGCSA-N 1 0 223.320 1.837 40 0 BDABRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[NH2+]1 ZINC000238164852 384525234 /nfs/dbraw/zinc/52/52/34/384525234.db2.gz VZWUKGBWIMAIBP-SNVBAGLBSA-N 1 0 200.282 1.263 40 0 BDABRO O=C1c2ccccc2C[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000019695367 384530739 /nfs/dbraw/zinc/53/07/39/384530739.db2.gz ITATZIBCEDJSHE-NEPJUHHUSA-N 1 0 201.269 1.794 40 0 BDABRO O=C1CCC[C@@H]2[NH2+]C[C@@H](c3ccccc3)[C@@H]2N1 ZINC000248011020 384575883 /nfs/dbraw/zinc/57/58/83/384575883.db2.gz VQVPWKVKPQWWHG-OBJOEFQTSA-N 1 0 230.311 1.411 40 0 BDABRO FC(F)(F)c1nc2c(n1C1CC1)CC[NH2+]C2 ZINC000082940788 384607366 /nfs/dbraw/zinc/60/73/66/384607366.db2.gz CMQFHKGXIFNMIV-UHFFFAOYSA-N 1 0 231.221 1.883 40 0 BDABRO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082306433 384662204 /nfs/dbraw/zinc/66/22/04/384662204.db2.gz WIVOJBVVEWEYMI-CQSZACIVSA-N 1 0 246.354 1.987 40 0 BDABRO COc1cccc2c1N(C)C[C@H](C[NH3+])C2 ZINC000075068739 384696451 /nfs/dbraw/zinc/69/64/51/384696451.db2.gz JSJXLVPKXPGNHH-VIFPVBQESA-N 1 0 206.289 1.262 40 0 BDABRO CS(=O)(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000022062114 384727476 /nfs/dbraw/zinc/72/74/76/384727476.db2.gz KMVLMAUQHRUFDO-NSHDSACASA-N 1 0 239.340 1.557 40 0 in-vitro BDABRO C[NH2+][C@H](C)C(=O)c1ccc(OC)c(OC)c1 ZINC000041610516 384728489 /nfs/dbraw/zinc/72/84/89/384728489.db2.gz VFOPXGBJCFJIFX-MRVPVSSYSA-N 1 0 223.272 1.494 40 0 in-vitro BDABRO CN(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccc(N)cc1 ZINC000242548502 384756630 /nfs/dbraw/zinc/75/66/30/384756630.db2.gz LOROOKGTJUHXJH-STQMWFEESA-N 1 0 247.342 1.002 40 0 BDABRO c1cncc(O[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC000096223632 384782956 /nfs/dbraw/zinc/78/29/56/384782956.db2.gz INGOMGUGJWGNDW-OLZOCXBDSA-N 1 0 234.299 1.372 40 0 BDABRO COC(=O)[C@H]1CCCN1c1cccc(C[NH3+])c1 ZINC000026896339 384885592 /nfs/dbraw/zinc/88/55/92/384885592.db2.gz HNSKNJDGELIFSD-GFCCVEGCSA-N 1 0 234.299 1.287 40 0 BDABRO COc1c(C)c(C)ccc1C[NH2+]C[C@@H](C)O ZINC000095094888 384957047 /nfs/dbraw/zinc/95/70/47/384957047.db2.gz LWFWABRHKIZMRL-SNVBAGLBSA-N 1 0 223.316 1.782 40 0 BDABRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[NH2+]C[C@@H]21 ZINC000057219115 384936137 /nfs/dbraw/zinc/93/61/37/384936137.db2.gz ZBCUZTCLSWQWPS-XHNCKOQMSA-N 1 0 212.293 1.119 40 0 BDABRO CC[C@@H]([NH3+])Cc1cc(OC)ccc1OC ZINC000029392698 384991336 /nfs/dbraw/zinc/99/13/36/384991336.db2.gz BGWUWDWDTLZQAZ-SNVBAGLBSA-N 1 0 209.289 1.984 40 0 BDABRO O=C1NCC[C@@]12CCC[N@H+](Cc1ccco1)CC2 ZINC000108528477 385049549 /nfs/dbraw/zinc/04/95/49/385049549.db2.gz SURKEQRZEKPVJO-CQSZACIVSA-N 1 0 248.326 1.772 40 0 BDABRO COc1ccc(C[C@H]2C[NH2+]CCO2)cc1OC ZINC000084049984 385051658 /nfs/dbraw/zinc/05/16/58/385051658.db2.gz KEFUKKBDWNJHSF-NSHDSACASA-N 1 0 237.299 1.235 40 0 BDABRO CC[n+]1cccc(-c2nn3cnnc3s2)c1 ZINC000226774161 385053214 /nfs/dbraw/zinc/05/32/14/385053214.db2.gz YQBWZPYGZDFSCJ-UHFFFAOYSA-N 1 0 232.292 1.160 40 0 BDABRO C[C@H]([NH3+])c1nocc1C(=O)Nc1ccccc1 ZINC000072208406 385062240 /nfs/dbraw/zinc/06/22/40/385062240.db2.gz NLNZXIPKABXXRO-QMMMGPOBSA-N 1 0 231.255 1.947 40 0 BDABRO Fc1cccc2onc(N3CC[NH2+]CC3)c21 ZINC000072208996 385064880 /nfs/dbraw/zinc/06/48/80/385064880.db2.gz VFUKITQQBWVZHM-UHFFFAOYSA-N 1 0 221.235 1.377 40 0 BDABRO CCOC(=O)[C@@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000072210552 385066376 /nfs/dbraw/zinc/06/63/76/385066376.db2.gz IQZALQICGRCWAB-LLVKDONJSA-N 1 0 240.347 1.285 40 0 BDABRO CCOC(=O)[C@@H](N)[C@](C)(CC)[NH+]1CCCC1 ZINC000072210575 385066936 /nfs/dbraw/zinc/06/69/36/385066936.db2.gz BJAFAAUYHPMRIT-PWSUYJOCSA-N 1 0 228.336 1.141 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C2CC2)C1 ZINC000072194524 385046943 /nfs/dbraw/zinc/04/69/43/385046943.db2.gz MAJQJMXQZAKIHB-SNVBAGLBSA-N 1 0 240.347 1.995 40 0 BDABRO Cc1cc([C@@H](C)O)cnc1N1CC[NH+](C)CC1 ZINC000072222559 385109124 /nfs/dbraw/zinc/10/91/24/385109124.db2.gz KNXNQCRDKXFHLW-LLVKDONJSA-N 1 0 235.331 1.195 40 0 BDABRO CCC(=O)c1cnc(N2CC[NH2+]CC2)c(C)c1 ZINC000072222531 385109258 /nfs/dbraw/zinc/10/92/58/385109258.db2.gz XBWYSLVXQKCLQQ-UHFFFAOYSA-N 1 0 233.315 1.392 40 0 BDABRO CC[C@@H](O)c1cnc(N2CC[NH2+]CC2)c(C)c1 ZINC000072222536 385110296 /nfs/dbraw/zinc/11/02/96/385110296.db2.gz FKOJRGLBTFCJRB-GFCCVEGCSA-N 1 0 235.331 1.243 40 0 BDABRO CC[NH+]1CCN(c2ccc([C@@H](C)O)c(C)n2)CC1 ZINC000072224672 385119452 /nfs/dbraw/zinc/11/94/52/385119452.db2.gz NJKFEJLINZNUAX-GFCCVEGCSA-N 1 0 249.358 1.585 40 0 BDABRO C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000060580409 385092205 /nfs/dbraw/zinc/09/22/05/385092205.db2.gz NUOUYKXGYWICQM-UHFFFAOYSA-N 1 0 224.348 1.777 40 0 BDABRO [NH3+]C[C@H](O)COCc1ccc(C(F)(F)F)cc1 ZINC000095096246 385202117 /nfs/dbraw/zinc/20/21/17/385202117.db2.gz LCWCUDABKSINEK-JTQLQIEISA-N 1 0 249.232 1.542 40 0 BDABRO CS(=O)(=O)c1ccc(C[NH3+])c2ccccc21 ZINC000085391377 385156106 /nfs/dbraw/zinc/15/61/06/385156106.db2.gz PSCORSGAMMQEQF-UHFFFAOYSA-N 1 0 235.308 1.702 40 0 BDABRO O=C1c2ccccc2CN1C1CC[NH2+]CC1 ZINC000034553554 385158128 /nfs/dbraw/zinc/15/81/28/385158128.db2.gz CIIHUTUQILHWCS-UHFFFAOYSA-N 1 0 216.284 1.394 40 0 BDABRO [NH3+][C@@H]1CCN(c2cc(-c3ccncc3)[nH]n2)C1 ZINC000096517194 385254764 /nfs/dbraw/zinc/25/47/64/385254764.db2.gz IBDJIPYNQFNQRS-SNVBAGLBSA-N 1 0 229.287 1.009 40 0 BDABRO CCc1cc(N2CC[NH2+]CC2)nc(C2CC2)n1 ZINC000096516918 385255463 /nfs/dbraw/zinc/25/54/63/385255463.db2.gz WCGZGYGIRORZRQ-UHFFFAOYSA-N 1 0 232.331 1.326 40 0 BDABRO Cc1nc(C2CC2)cc(N2CCC[NH2+]CC2)n1 ZINC000096516916 385255573 /nfs/dbraw/zinc/25/55/73/385255573.db2.gz AFIMUSIDZOLZEP-UHFFFAOYSA-N 1 0 232.331 1.462 40 0 BDABRO Cc1ccc(C)c(CN2CC[C@H]([NH3+])C2)c1 ZINC000038538984 385312605 /nfs/dbraw/zinc/31/26/05/385312605.db2.gz GWJKUDFNNQPDET-ZDUSSCGKSA-N 1 0 204.317 1.836 40 0 BDABRO CC(C)n1ncc2c1C[C@H](C(N)=[NH2+])CCC2 ZINC000575425836 385266732 /nfs/dbraw/zinc/26/67/32/385266732.db2.gz XSYXPXXSJQOZME-SECBINFHSA-N 1 0 220.320 1.895 40 0 BDABRO [NH3+][C@@H](Cc1ccccc1)CN1CCC[C@@H]1CO ZINC000096523469 385269465 /nfs/dbraw/zinc/26/94/65/385269465.db2.gz FBGLDEKTMMVMJS-UONOGXRCSA-N 1 0 234.343 1.013 40 0 BDABRO CCN(CCC[NH3+])Cc1cn(CC)nc1C ZINC000096523783 385269731 /nfs/dbraw/zinc/26/97/31/385269731.db2.gz PMFFMBGDZCFIAO-UHFFFAOYSA-N 1 0 224.352 1.382 40 0 BDABRO Cc1ccc(N2CCN(C[C@@H](C)[NH3+])CC2)cc1 ZINC000096523934 385270428 /nfs/dbraw/zinc/27/04/28/385270428.db2.gz JDQBYYZQJANTHC-CYBMUJFWSA-N 1 0 233.359 1.464 40 0 BDABRO Cc1ccc(N2CC[C@H](OCC[NH3+])C2)cc1C ZINC000096528332 385273620 /nfs/dbraw/zinc/27/36/20/385273620.db2.gz DAUCLZKQMBURSQ-AWEZNQCLSA-N 1 0 234.343 1.857 40 0 BDABRO c1ccc2c(c1)[nH]c1c2CCN[C@]12CCC[NH2+]C2 ZINC000034182485 385274132 /nfs/dbraw/zinc/27/41/32/385274132.db2.gz PHAZVTAAYUDKTB-HNNXBMFYSA-N 1 0 241.338 1.892 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1C ZINC000096524842 385277729 /nfs/dbraw/zinc/27/77/29/385277729.db2.gz FWCANCDIXGABLX-ZYHUDNBSSA-N 1 0 241.356 1.818 40 0 BDABRO COC(=O)c1cc(C[NH3+])cnc1C(C)C ZINC000096529559 385282505 /nfs/dbraw/zinc/28/25/05/385282505.db2.gz RJGCDEAHVXQVTH-UHFFFAOYSA-N 1 0 208.261 1.450 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)NCc1cccc(F)c1 ZINC000020473664 385289582 /nfs/dbraw/zinc/28/95/82/385289582.db2.gz POVPDMAHGLFIPM-NSHDSACASA-N 1 0 224.279 1.425 40 0 BDABRO C[C@H]([NH3+])CN1CCCC[C@@H]1c1cccnc1 ZINC000095097558 385436330 /nfs/dbraw/zinc/43/63/30/385436330.db2.gz WKYAMPGIQNSEHE-WCQYABFASA-N 1 0 219.332 1.956 40 0 BDABRO COC(=O)c1sc([C@H]2CCC[NH2+]C2)nc1C ZINC000328579396 385487463 /nfs/dbraw/zinc/48/74/63/385487463.db2.gz FJUHXQFTQIUJTD-QMMMGPOBSA-N 1 0 240.328 1.705 40 0 BDABRO c1nc([C@H]2C[NH2+]CC23CCCCC3)no1 ZINC000328579613 385490632 /nfs/dbraw/zinc/49/06/32/385490632.db2.gz RJEBXOKUDQUVPH-SECBINFHSA-N 1 0 207.277 1.707 40 0 BDABRO [NH3+]C[C@@H](N1CCCCCC1)C(F)(F)F ZINC000037169447 385597523 /nfs/dbraw/zinc/59/75/23/385597523.db2.gz MYKSZFDBHAKLSD-MRVPVSSYSA-N 1 0 210.243 1.752 40 0 BDABRO [NH3+]C[C@@H](O)CNc1cc(Cl)ccc1Cl ZINC000005003983 385641817 /nfs/dbraw/zinc/64/18/17/385641817.db2.gz XDMBRADTNWFEMF-SSDOTTSWSA-N 1 0 235.114 1.725 40 0 BDABRO C[C@H]([NH3+])c1ccc([C@H]2CCS(=O)(=O)C2)cc1 ZINC000075845451 385696140 /nfs/dbraw/zinc/69/61/40/385696140.db2.gz RIHIEWFRXAHDPL-CABZTGNLSA-N 1 0 239.340 1.608 40 0 BDABRO Cc1nc(C[N@@H+]2C[C@@H]3C[C@@H](O)C[C@@H]3C2)cs1 ZINC000257217618 385753429 /nfs/dbraw/zinc/75/34/29/385753429.db2.gz CZTJFADRJPYSST-IAZYJMLFSA-N 1 0 238.356 1.654 40 0 BDABRO Cn1nccc1-c1cc(C[C@H]2CC[NH2+]C2)ncn1 ZINC000257228683 385754931 /nfs/dbraw/zinc/75/49/31/385754931.db2.gz FUVKRKAFILLOPZ-SNVBAGLBSA-N 1 0 243.314 1.029 40 0 BDABRO C[C@]12CC[N@H+](CC3CCC3)[C@H]1CCC(=O)N2 ZINC000257269736 385757768 /nfs/dbraw/zinc/75/77/68/385757768.db2.gz MREGLHYZFLQYQY-AAEUAGOBSA-N 1 0 222.332 1.530 40 0 BDABRO Cn1nccc1-c1cc(C[C@H]2CC[NH2+]C2)ccn1 ZINC000257305956 385761142 /nfs/dbraw/zinc/76/11/42/385761142.db2.gz SSGABKOVKDJRPV-GFCCVEGCSA-N 1 0 242.326 1.634 40 0 BDABRO C[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1 ZINC000021300321 385861719 /nfs/dbraw/zinc/86/17/19/385861719.db2.gz URWKQIHYBHDHPD-SECBINFHSA-N 1 0 213.708 1.853 40 0 BDABRO COC(=O)c1ccc2c(c1)CCC[C@]21CC[NH2+]1 ZINC000306145378 385994644 /nfs/dbraw/zinc/99/46/44/385994644.db2.gz CWMUJYBNQXEKLJ-AWEZNQCLSA-N 1 0 231.295 1.998 40 0 BDABRO O=C1[C@@H]2C[NH2+]C[C@H]2CN1Cc1cccc(F)c1 ZINC000306143461 385991629 /nfs/dbraw/zinc/99/16/29/385991629.db2.gz YCURCMPDXAEFOD-CMPLNLGQSA-N 1 0 234.274 1.004 40 0 BDABRO O=C1CC[C@]2(CCC[NH2+]C2)N1Cc1ccncc1 ZINC000306141700 385992410 /nfs/dbraw/zinc/99/24/10/385992410.db2.gz WEFWIQNWDNKKKP-AWEZNQCLSA-N 1 0 245.326 1.326 40 0 BDABRO O=C1CC[C@@]2(CCC[NH2+]C2)N1Cc1ccncc1 ZINC000306141701 385992712 /nfs/dbraw/zinc/99/27/12/385992712.db2.gz WEFWIQNWDNKKKP-CQSZACIVSA-N 1 0 245.326 1.326 40 0 BDABRO Fc1ccc2c(c1)CCC[C@@]21COCC[NH2+]1 ZINC000306145608 385994417 /nfs/dbraw/zinc/99/44/17/385994417.db2.gz KLVYBBMLHHRFGY-CYBMUJFWSA-N 1 0 221.275 1.977 40 0 BDABRO C[NH2+][C@H](C(N)=O)c1cc(Cl)cc(Cl)c1 ZINC000037869826 386104656 /nfs/dbraw/zinc/10/46/56/386104656.db2.gz DNXDJOWGZCKITP-QMMMGPOBSA-N 1 0 233.098 1.739 40 0 BDABRO [NH3+]C[C@H]1[C@H](F)CCCN1Cc1ccccc1 ZINC000263583534 386147302 /nfs/dbraw/zinc/14/73/02/386147302.db2.gz ICHZCEZXZLAOOB-OLZOCXBDSA-N 1 0 222.307 1.948 40 0 BDABRO [NH3+]C[C@@H]1C[C@@H](C(F)(F)F)C[C@@H]2OCC[C@@H]21 ZINC000225761690 386217010 /nfs/dbraw/zinc/21/70/10/386217010.db2.gz VPKPDQBQCZBISA-KDXUFGMBSA-N 1 0 223.238 1.939 40 0 BDABRO CCc1ccc(C[NH2+]CCCOC)n1C ZINC000226019477 386232309 /nfs/dbraw/zinc/23/23/09/386232309.db2.gz SBYOVOQXAXYBIP-UHFFFAOYSA-N 1 0 210.321 1.714 40 0 BDABRO [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(F)cc1 ZINC000218873420 386423910 /nfs/dbraw/zinc/42/39/10/386423910.db2.gz FBZYASFAIZMFDP-NEPJUHHUSA-N 1 0 208.280 1.795 40 0 BDABRO O=C1Nc2cc(F)ccc2C12CC[NH2+]CC2 ZINC000098213843 386580874 /nfs/dbraw/zinc/58/08/74/386580874.db2.gz QAOOQANQSMZXMN-UHFFFAOYSA-N 1 0 220.247 1.399 40 0 BDABRO O=C1Nc2c(cccc2F)C12CC[NH2+]CC2 ZINC000098213214 386581443 /nfs/dbraw/zinc/58/14/43/386581443.db2.gz QZBQUAYNZIHJFQ-UHFFFAOYSA-N 1 0 220.247 1.399 40 0 BDABRO O=C1c2cc(F)ccc2CN1CC1CC[NH2+]CC1 ZINC000098213972 386582714 /nfs/dbraw/zinc/58/27/14/386582714.db2.gz PYNYVDYPVIBNEA-UHFFFAOYSA-N 1 0 248.301 1.781 40 0 BDABRO COCC[C@H]1C[N@@H+](C2CCC2)Cc2ccnn21 ZINC000247843015 386734536 /nfs/dbraw/zinc/73/45/36/386734536.db2.gz LLFQKDHPTJLROL-ZDUSSCGKSA-N 1 0 235.331 1.829 40 0 BDABRO CO[C@@H]1Cn2nccc2C[N@H+](CC2CCCC2)C1 ZINC000247904006 386735001 /nfs/dbraw/zinc/73/50/01/386735001.db2.gz WOHINVVYMXZEIL-AWEZNQCLSA-N 1 0 249.358 1.904 40 0 BDABRO [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000247653918 386729886 /nfs/dbraw/zinc/72/98/86/386729886.db2.gz OHIMURQOEARGPK-ZYHUDNBSSA-N 1 0 206.264 1.359 40 0 BDABRO CC(C)(C)OC(=O)[C@H](N)C[C@H]1CCC[NH2+]C1 ZINC000088247618 386947612 /nfs/dbraw/zinc/94/76/12/386947612.db2.gz HXRMBJYKFKADGB-NXEZZACHSA-N 1 0 228.336 1.045 40 0 BDABRO [NH3+][C@H]1C[C@@H](C(F)(F)F)CC2(C1)OCCO2 ZINC000575424075 387040500 /nfs/dbraw/zinc/04/05/00/387040500.db2.gz VFESXCIJMWIFST-RQJHMYQMSA-N 1 0 225.210 1.419 40 0 BDABRO Cc1nc(C2CC2)cc(N2CCC[C@H]([NH3+])C2)n1 ZINC000575415069 387021436 /nfs/dbraw/zinc/02/14/36/387021436.db2.gz NMNSSEYTETZRFN-NSHDSACASA-N 1 0 232.331 1.590 40 0 BDABRO CN1c2ccc(SCC[NH3+])cc2CCC1=O ZINC000218811640 387106987 /nfs/dbraw/zinc/10/69/87/387106987.db2.gz UCQIPWDPUSHONZ-UHFFFAOYSA-N 1 0 236.340 1.646 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccncc2)CC1 ZINC000255190085 387293018 /nfs/dbraw/zinc/29/30/18/387293018.db2.gz UXSZNUFRMVAARS-XYPYZODXSA-N 1 0 219.288 1.081 40 0 BDABRO O=C(CC[C@@H]1CCCC[NH2+]1)N1CCCC1 ZINC000050931134 387356068 /nfs/dbraw/zinc/35/60/68/387356068.db2.gz VIOMABWZLFDNOS-NSHDSACASA-N 1 0 210.321 1.531 40 0 BDABRO [NH3+][C@H]1C2CCN(CC2)[C@@H]1Cc1ccccc1 ZINC000138644279 387707320 /nfs/dbraw/zinc/70/73/20/387707320.db2.gz XPPMDYURPXXBHC-KGLIPLIRSA-N 1 0 216.328 1.651 40 0 BDABRO FC(F)(F)c1cc(N[C@H]2CC[NH2+]C2)ncn1 ZINC000079387526 387855265 /nfs/dbraw/zinc/85/52/65/387855265.db2.gz JSQSUZMEAHKBEK-LURJTMIESA-N 1 0 232.209 1.269 40 0 BDABRO CCCn1cc(C[NH2+]CCOC)c(C)n1 ZINC000070631440 387855450 /nfs/dbraw/zinc/85/54/50/387855450.db2.gz RHFMBBBPWKQKLQ-UHFFFAOYSA-N 1 0 211.309 1.338 40 0 BDABRO C[NH+](C)CCCNCc1ccnn1C(F)F ZINC000256050951 387858990 /nfs/dbraw/zinc/85/89/90/387858990.db2.gz HDTOUNGCGIBIPZ-UHFFFAOYSA-N 1 0 232.278 1.320 40 0 BDABRO CC[C@H](C)n1nccc1C[NH2+]CCCOC ZINC000256050768 387859104 /nfs/dbraw/zinc/85/91/04/387859104.db2.gz GKSDFMKBLPZCHK-NSHDSACASA-N 1 0 225.336 1.980 40 0 BDABRO CCn1ccc(CNCCC[NH+](CC)CC)n1 ZINC000256051465 387859236 /nfs/dbraw/zinc/85/92/36/387859236.db2.gz JGMKMKUOSGGZQP-UHFFFAOYSA-N 1 0 238.379 1.725 40 0 BDABRO CCc1ccccc1CN1CC[C@H]([NH3+])C1 ZINC000038538718 388404747 /nfs/dbraw/zinc/40/47/47/388404747.db2.gz BGJSLMXSDOYNAH-ZDUSSCGKSA-N 1 0 204.317 1.782 40 0 BDABRO Cc1ccc(NC[C@H]2COCC[NH2+]2)cc1 ZINC000216592417 388357666 /nfs/dbraw/zinc/35/76/66/388357666.db2.gz QUCUHEYXYGWUMO-LBPRGKRZSA-N 1 0 206.289 1.395 40 0 BDABRO CCCC[C@H]1C[C@@H](OCCOCC)C[NH2+]1 ZINC000217862140 388382593 /nfs/dbraw/zinc/38/25/93/388382593.db2.gz RYGWORIXCFPDHY-NWDGAFQWSA-N 1 0 215.337 1.960 40 0 BDABRO COc1cccc([C@@H]2C[N@H+](C)C[C@H]2CO)c1 ZINC000242620197 388399974 /nfs/dbraw/zinc/39/99/74/388399974.db2.gz PXVHDGQRKTXDLF-AAEUAGOBSA-N 1 0 221.300 1.333 40 0 BDABRO CCS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@H]1c1ccc(C)cc1 ZINC000242648778 388400173 /nfs/dbraw/zinc/40/01/73/388400173.db2.gz RHJJQEUGCMQWRN-UTUOFQBUSA-N 1 0 239.340 1.223 40 0 BDABRO [NH3+][C@H]1CC[C@H](Nc2ccc(Cl)nn2)CC1 ZINC000242688671 388400920 /nfs/dbraw/zinc/40/09/20/388400920.db2.gz VWKHQLGXGDQVBJ-ZKCHVHJHSA-N 1 0 226.711 1.812 40 0 BDABRO COc1ccc(CN(C)C(=O)[C@H](C)[NH3+])cc1 ZINC000037797830 388610438 /nfs/dbraw/zinc/61/04/38/388610438.db2.gz KWWJHZYAALPHJV-VIFPVBQESA-N 1 0 222.288 1.001 40 0 BDABRO Cc1ccc(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)cc1 ZINC000107243944 388615949 /nfs/dbraw/zinc/61/59/49/388615949.db2.gz HBGDTJGRCMSULY-GXTWGEPZSA-N 1 0 232.327 1.420 40 0 BDABRO c1cncc(-c2n[nH]c([C@H]3CCC[NH2+]3)n2)c1 ZINC000019340806 388580829 /nfs/dbraw/zinc/58/08/29/388580829.db2.gz HBACZVIIYAOEKF-SECBINFHSA-N 1 0 215.260 1.291 40 0 BDABRO C[N@@H+]1C[C@@H](CO)[C@@H](c2ccc(F)cc2)C1 ZINC000199235639 388622473 /nfs/dbraw/zinc/62/24/73/388622473.db2.gz ZMPBLBRIIUTUJO-CMPLNLGQSA-N 1 0 209.264 1.463 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@H]1c1ccccc1Cl ZINC000062713499 388654910 /nfs/dbraw/zinc/65/49/10/388654910.db2.gz HBXDEOLXDVKMAL-ONGXEEELSA-N 1 0 211.692 1.765 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1F ZINC000062713700 388655310 /nfs/dbraw/zinc/65/53/10/388655310.db2.gz ABOJKCPQWAENOQ-ONGXEEELSA-N 1 0 213.227 1.390 40 0 BDABRO CCOCCC[NH2+]Cc1cnc(SC)nc1 ZINC000062717213 388655771 /nfs/dbraw/zinc/65/57/71/388655771.db2.gz KPAWBLHUVWFGAP-UHFFFAOYSA-N 1 0 241.360 1.715 40 0 BDABRO COC(=O)[C@@H]1CC[NH2+][C@@H]1c1ccccc1 ZINC000075606072 388660782 /nfs/dbraw/zinc/66/07/82/388660782.db2.gz CQACFNSKPYNJEE-GHMZBOCLSA-N 1 0 205.257 1.510 40 0 BDABRO C[NH2+][C@H](C)Cc1cc(OC)ccc1OC ZINC000011596837 388707550 /nfs/dbraw/zinc/70/75/50/388707550.db2.gz RSDBPMOXIPCTPN-SECBINFHSA-N 1 0 209.289 1.854 40 0 in-vitro BDABRO [NH3+][C@@H](Cc1ccccc1)CN1CCSCC1 ZINC000020257466 388759815 /nfs/dbraw/zinc/75/98/15/388759815.db2.gz LOAVXSJBCMTOHM-ZDUSSCGKSA-N 1 0 236.384 1.605 40 0 BDABRO CN1C[C@H]([NH3+])[C@@H](c2c(F)cccc2Cl)C1 ZINC000225606750 388839494 /nfs/dbraw/zinc/83/94/94/388839494.db2.gz ITSXIPBLAYMTCS-XVKPBYJWSA-N 1 0 228.698 1.835 40 0 BDABRO C[N@@H+]1CCC[C@@]2(CN(c3ccccc3)CCO2)C1 ZINC000063527632 132241641 /nfs/dbraw/zinc/24/16/41/132241641.db2.gz NUEAHVRCZBMZFA-HNNXBMFYSA-N 1 0 246.354 1.988 40 0 BDABRO CSc1nccc(N2CCCC[C@H]2C[NH3+])n1 ZINC000072203124 132396572 /nfs/dbraw/zinc/39/65/72/132396572.db2.gz KDVYKRBHRDKKOK-VIFPVBQESA-N 1 0 238.360 1.516 40 0 BDABRO Cc1nc2ccccc2c(N2CCC[C@@H]([NH3+])C2)n1 ZINC000096516016 132431544 /nfs/dbraw/zinc/43/15/44/132431544.db2.gz VCJHXBCQLNIPIQ-LLVKDONJSA-N 1 0 242.326 1.866 40 0 BDABRO Cc1nc2ccccc2c(N2CCC[C@H]([NH3+])C2)n1 ZINC000096516015 132431687 /nfs/dbraw/zinc/43/16/87/132431687.db2.gz VCJHXBCQLNIPIQ-NSHDSACASA-N 1 0 242.326 1.866 40 0 BDABRO CCC[C@H]([NH3+])CN(C)CCc1ccncc1 ZINC000048260195 397976617 /nfs/dbraw/zinc/97/66/17/397976617.db2.gz ORCQCUYNGLIOBO-ZDUSSCGKSA-N 1 0 221.348 1.683 40 0 BDABRO CCc1ccccc1NC(=O)C[NH2+]C1CC1 ZINC000037386627 322902559 /nfs/dbraw/zinc/90/25/59/322902559.db2.gz QNXZQKKUMUQOFS-UHFFFAOYSA-N 1 0 218.300 1.940 40 0 BDABRO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000079437679 166643887 /nfs/dbraw/zinc/64/38/87/166643887.db2.gz OISBACWDCRUUAL-JTQLQIEISA-N 1 0 226.320 1.748 40 0 BDABRO CC(C)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000005454005 167005988 /nfs/dbraw/zinc/00/59/88/167005988.db2.gz ZCSOJUBZNQXUFB-GFCCVEGCSA-N 1 0 223.316 1.672 40 0 BDABRO CC(C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC000096224908 167081631 /nfs/dbraw/zinc/08/16/31/167081631.db2.gz DJZKJRVMROOLPN-NSHDSACASA-N 1 0 240.347 1.060 40 0 BDABRO CC(C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000039091360 167107837 /nfs/dbraw/zinc/10/78/37/167107837.db2.gz KQKFEZDHBCMHMF-UHFFFAOYSA-N 1 0 202.298 1.509 40 0 BDABRO CC(C)[NH2+]C[C@H](O)c1ccc(O)c2ncccc12 ZINC000001582760 167115099 /nfs/dbraw/zinc/11/50/99/167115099.db2.gz RSDQHEMTUCMUPQ-ZDUSSCGKSA-N 1 0 246.310 1.972 40 0 in-man BDABRO CC(C)OCc1ncn2c1C[NH2+]CCC2 ZINC000096259998 167272724 /nfs/dbraw/zinc/27/27/24/167272724.db2.gz BYXHNQKPPSODKH-UHFFFAOYSA-N 1 0 209.293 1.301 40 0 BDABRO CC(C)O[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000062711753 167281110 /nfs/dbraw/zinc/28/11/10/167281110.db2.gz WGKMPCJQVGUFAR-LBPRGKRZSA-N 1 0 223.272 1.840 40 0 BDABRO CC[NH+](CC)C[C@@H]1CN(C)Cc2cncn21 ZINC000248095877 169786908 /nfs/dbraw/zinc/78/69/08/169786908.db2.gz CXYOQJABGTYGBG-LBPRGKRZSA-N 1 0 222.336 1.211 40 0 BDABRO CC1=N[C@@]2(CC[C@@H]3C[NH2+]C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261483 168137565 /nfs/dbraw/zinc/13/75/65/168137565.db2.gz KIRLOKMTNDJYLM-MBNYWOFBSA-N 1 0 247.342 1.025 40 0 BDABRO CCN1CCOC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000217465133 170001438 /nfs/dbraw/zinc/00/14/38/170001438.db2.gz UCTQYSKORMBIOG-AWEZNQCLSA-N 1 0 234.343 1.497 40 0 BDABRO CC[NH2+]C[C@H](O)c1ccc(Br)cn1 ZINC000130119725 170122764 /nfs/dbraw/zinc/12/27/64/170122764.db2.gz IRAQEZLBWAGRMY-VIFPVBQESA-N 1 0 245.120 1.487 40 0 BDABRO CC[NH2+]C[C@H]1COCCN1Cc1ccccc1 ZINC000130822792 170123260 /nfs/dbraw/zinc/12/32/60/170123260.db2.gz DHUPRARYKXHPHU-AWEZNQCLSA-N 1 0 234.343 1.497 40 0 BDABRO CC[NH2+][C@H](C)C(=O)c1cccc2c1OCO2 ZINC000299817277 170157050 /nfs/dbraw/zinc/15/70/50/170157050.db2.gz QJADLMNXVWSLDV-MRVPVSSYSA-N 1 0 221.256 1.596 40 0 in-vitro BDABRO CCOC(=O)C[C@H]([NH2+]C)c1ccccc1 ZINC000038917066 170233447 /nfs/dbraw/zinc/23/34/47/170233447.db2.gz DBMDBUGTXCKNCV-NSHDSACASA-N 1 0 207.273 1.900 40 0 BDABRO CCOC(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426529 170239262 /nfs/dbraw/zinc/23/92/62/170239262.db2.gz TVFHOMIVTSQARB-LBPRGKRZSA-N 1 0 226.320 1.609 40 0 BDABRO CCOC(=O)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000026895770 170273031 /nfs/dbraw/zinc/27/30/31/170273031.db2.gz WMEYUYSOUHYOPL-SECBINFHSA-N 1 0 237.255 1.021 40 0 BDABRO CCOCC[C@H]1CCOC12CC[NH2+]CC2 ZINC000253386054 170427945 /nfs/dbraw/zinc/42/79/45/170427945.db2.gz VLFJRDNOTQJHQS-NSHDSACASA-N 1 0 213.321 1.572 40 0 BDABRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(N)nn1C ZINC000408716426 411882200 /nfs/dbraw/zinc/88/22/00/411882200.db2.gz MVDZBJBKZRVKRG-SNVBAGLBSA-N 1 0 222.336 1.767 40 0 BDABRO CCn1c2ccccc2cc(C[NH3+])c1=O ZINC000040165806 172131891 /nfs/dbraw/zinc/13/18/91/172131891.db2.gz QAJBEESDZRYYNP-UHFFFAOYSA-N 1 0 202.257 1.480 40 0 BDABRO CCn1c(C)cc(NCC[NH+](C)C)cc1=O ZINC000016808169 172136407 /nfs/dbraw/zinc/13/64/07/172136407.db2.gz WVIFTANWWNKJJV-UHFFFAOYSA-N 1 0 223.320 1.150 40 0 BDABRO CCn1cc(C[NH2+]CCCCO)c(C)n1 ZINC000256050601 172169840 /nfs/dbraw/zinc/16/98/40/172169840.db2.gz FRTCVDUQKHMCOJ-UHFFFAOYSA-N 1 0 211.309 1.074 40 0 BDABRO C[NH+](C)Cc1ccc(NC(N)=S)cc1 ZINC000020160451 172500881 /nfs/dbraw/zinc/50/08/81/172500881.db2.gz RJSUNRSLCNJWIC-UHFFFAOYSA-N 1 0 209.318 1.404 40 0 BDABRO C[N@@H+]1CCC[C@@]12CCN(c1cccnc1)C2 ZINC000013975447 173039855 /nfs/dbraw/zinc/03/98/55/173039855.db2.gz WIHVDFXARURFKF-ZDUSSCGKSA-N 1 0 217.316 1.756 40 0 BDABRO C[N@@H+]1CCC[C@H]1c1nccnc1-n1ccnc1 ZINC000072382196 173057877 /nfs/dbraw/zinc/05/78/77/173057877.db2.gz JAOVEODSSMCAFP-JTQLQIEISA-N 1 0 229.287 1.429 40 0 BDABRO C[N@@H+]1CCC[C@](O)(C(=O)c2ccccc2)C1 ZINC000002028558 173060979 /nfs/dbraw/zinc/06/09/79/173060979.db2.gz HRNDMRGKNJWGIL-CYBMUJFWSA-N 1 0 219.284 1.326 40 0 BDABRO C[N@@H+]1CC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000072187537 173128339 /nfs/dbraw/zinc/12/83/39/173128339.db2.gz RBQVWLHHSWOAKU-SNVBAGLBSA-N 1 0 201.273 1.934 40 0 BDABRO C[NH2+]C1CCN(C(=O)c2sccc2C)CC1 ZINC000079440049 173323194 /nfs/dbraw/zinc/32/31/94/173323194.db2.gz WPPYUTVCYSZTAB-UHFFFAOYSA-N 1 0 238.356 1.881 40 0 BDABRO C[NH2+]C[C@@H](O)c1ccc(Br)cn1 ZINC000083329104 173366055 /nfs/dbraw/zinc/36/60/55/173366055.db2.gz SCOADPCJDMVGQB-MRVPVSSYSA-N 1 0 231.093 1.097 40 0 BDABRO C[NH2+]Cc1cc(-c2cn(C)nc2C)on1 ZINC000026545460 173386230 /nfs/dbraw/zinc/38/62/30/173386230.db2.gz XMYMYLGWKFKXGX-UHFFFAOYSA-N 1 0 206.249 1.103 40 0 BDABRO C[NH2+]Cc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000035655531 173386353 /nfs/dbraw/zinc/38/63/53/173386353.db2.gz HLGSSRFKGJHGDR-UHFFFAOYSA-N 1 0 232.239 1.790 40 0 BDABRO C[NH2+]Cc1nnc2c(C(F)(F)F)cccn12 ZINC000328579526 173398652 /nfs/dbraw/zinc/39/86/52/173398652.db2.gz NOIUOXFENXXVCR-UHFFFAOYSA-N 1 0 230.193 1.468 40 0 BDABRO C[NH2+][C@@H]1CCCN(Cc2cncs2)C1 ZINC000072203311 173433413 /nfs/dbraw/zinc/43/34/13/173433413.db2.gz COBFGPNQUZWRIP-SECBINFHSA-N 1 0 211.334 1.327 40 0 BDABRO C[NH2+][C@H]1CCCN(Cc2cncs2)C1 ZINC000072203312 173462134 /nfs/dbraw/zinc/46/21/34/173462134.db2.gz COBFGPNQUZWRIP-VIFPVBQESA-N 1 0 211.334 1.327 40 0 BDABRO COC(=O)c1cc[n+](Cc2ccccc2)cc1 ZINC000002557595 173864979 /nfs/dbraw/zinc/86/49/79/173864979.db2.gz HUPZTGHLSZYPBH-UHFFFAOYSA-N 1 0 228.271 1.809 40 0 BDABRO COc1cc2[nH+]ccc(N)c2c(OC)c1 ZINC000050844171 175008409 /nfs/dbraw/zinc/00/84/09/175008409.db2.gz OJBREKNTGDAYFQ-UHFFFAOYSA-N 1 0 204.229 1.834 40 0 BDABRO COc1cc(OC)cc([C@@H]2C[C@H]2C[NH3+])c1 ZINC000054586908 175010922 /nfs/dbraw/zinc/01/09/22/175010922.db2.gz LGXSZDLANONVOM-CABZTGNLSA-N 1 0 207.273 1.766 40 0 BDABRO COc1cc2c(cc1OC)C([C@H](C)[NH3+])=NCC2 ZINC000036724818 175024841 /nfs/dbraw/zinc/02/48/41/175024841.db2.gz YASRSAKSZWANLU-QMMMGPOBSA-N 1 0 234.299 1.396 40 0 BDABRO COc1ccc(CN2CC[NH2+]C[C@H]2C)cc1 ZINC000041234317 175100870 /nfs/dbraw/zinc/10/08/70/175100870.db2.gz DPAUGIAIJRNLHM-LLVKDONJSA-N 1 0 220.316 1.489 40 0 BDABRO COc1ccc(NCc2n[nH]c([C@H](C)[NH3+])n2)cc1 ZINC000095534650 175153090 /nfs/dbraw/zinc/15/30/90/175153090.db2.gz OAUBLJIYEDLJST-QMMMGPOBSA-N 1 0 247.302 1.445 40 0 BDABRO COc1ccc(OC)c(N[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000218880144 175166972 /nfs/dbraw/zinc/16/69/72/175166972.db2.gz DUQITFNAVYQLPW-WDEREUQCSA-N 1 0 236.315 1.996 40 0 BDABRO COc1ccc([C@@H](O)CC[NH3+])cc1OC ZINC000019674814 175180563 /nfs/dbraw/zinc/18/05/63/175180563.db2.gz DMCQSQHOGOFFDM-VIFPVBQESA-N 1 0 211.261 1.086 40 0 BDABRO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(C)CC2 ZINC000096242671 175206699 /nfs/dbraw/zinc/20/66/99/175206699.db2.gz KEPHKNSPIZVGST-UHFFFAOYSA-N 1 0 246.354 1.762 40 0 BDABRO COc1ccc2c(c1)[C@@]1(C[C@H]1C[NH3+])CCO2 ZINC000218686882 175217293 /nfs/dbraw/zinc/21/72/93/175217293.db2.gz QMZABYYYCUVKLH-TVQRCGJNSA-N 1 0 219.284 1.694 40 0 BDABRO COc1ccc2cc3c([nH+]c2c1)N(N)CC3 ZINC000036724586 175225338 /nfs/dbraw/zinc/22/53/38/175225338.db2.gz PLVQEPYIPAPLCI-UHFFFAOYSA-N 1 0 215.256 1.480 40 0 BDABRO COc1cccc(Cn2cc[nH+]c2N)c1 ZINC000037483174 175273360 /nfs/dbraw/zinc/27/33/60/175273360.db2.gz BFYSQESZCQOXMC-UHFFFAOYSA-N 1 0 203.245 1.522 40 0 BDABRO COc1cccc(OC2CC[NH2+]CC2)n1 ZINC000006718320 175282400 /nfs/dbraw/zinc/28/24/00/175282400.db2.gz KOWNYZRYOXSALD-UHFFFAOYSA-N 1 0 208.261 1.221 40 0 BDABRO COc1cccc(OC[C@@H]2C[NH2+]CCO2)c1 ZINC000011587413 175284369 /nfs/dbraw/zinc/28/43/69/175284369.db2.gz CAIBSLGEKNOIJR-LBPRGKRZSA-N 1 0 223.272 1.062 40 0 BDABRO COc1cccc([C@@H]2C[NH2+]CCCN2)c1 ZINC000022015864 175290449 /nfs/dbraw/zinc/29/04/49/175290449.db2.gz VRYOISCBTBWRJF-LBPRGKRZSA-N 1 0 206.289 1.319 40 0 BDABRO COc1ccccc1[C@@H]1C[N@H+](C)C[C@@H]1CO ZINC000217673467 175348104 /nfs/dbraw/zinc/34/81/04/175348104.db2.gz QUNRHFORAMKQMF-ZYHUDNBSSA-N 1 0 221.300 1.333 40 0 BDABRO COc1ccccc1[C@@H]1C[C@@H](CO)C[NH2+]1 ZINC000108351328 175348932 /nfs/dbraw/zinc/34/89/32/175348932.db2.gz CIPYJJFOPZERCR-KOLCDFICSA-N 1 0 207.273 1.338 40 0 BDABRO C[C@@H]1CN(C(=O)c2ccc(F)cc2F)CC[NH2+]1 ZINC000067799597 176261402 /nfs/dbraw/zinc/26/14/02/176261402.db2.gz GVKPEPXTGGJRQV-MRVPVSSYSA-N 1 0 240.253 1.399 40 0 BDABRO C[C@@H]1C[NH2+]CCN1Cc1c(F)cccc1F ZINC000071978824 176326765 /nfs/dbraw/zinc/32/67/65/176326765.db2.gz BBGLPBXJJUZCQW-SECBINFHSA-N 1 0 226.270 1.759 40 0 BDABRO C[C@H]1CCCC[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000037388777 177081814 /nfs/dbraw/zinc/08/18/14/177081814.db2.gz ATXPKMUYJYYRAP-ONGXEEELSA-N 1 0 210.321 1.433 40 0 BDABRO C[C@H]1CCc2nnc(N3CC[C@@H]([NH3+])C3)cc2C1 ZINC000217447194 177210441 /nfs/dbraw/zinc/21/04/41/177210441.db2.gz XNNZPBZAFMQZCC-GXSJLCMTSA-N 1 0 232.331 1.139 40 0 BDABRO C[C@H]1CN(C(=O)Cc2ccccc2)CC[NH2+]1 ZINC000062608755 177218015 /nfs/dbraw/zinc/21/80/15/177218015.db2.gz VZSMILLAQBMCHD-NSHDSACASA-N 1 0 218.300 1.049 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(F)cc1 ZINC000054370259 177284071 /nfs/dbraw/zinc/28/40/71/177284071.db2.gz WQMDHYSVKCHKEW-VIFPVBQESA-N 1 0 222.263 1.260 40 0 BDABRO C[C@H]1C[NH2+]CCN1Cc1cccc(F)c1F ZINC000054374478 177285110 /nfs/dbraw/zinc/28/51/10/177285110.db2.gz MGAVNQSNWVRMJT-VIFPVBQESA-N 1 0 226.270 1.759 40 0 BDABRO C[C@H]1CSC=[N+]1C[C@@H](O)c1ccccc1 ZINC000001707346 177304375 /nfs/dbraw/zinc/30/43/75/177304375.db2.gz WWIJZDOVCPQYKX-CMPLNLGQSA-N 1 0 222.333 1.896 40 0 BDABRO C[C@@H](O)[C@@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000090733485 487994025 /nfs/dbraw/zinc/99/40/25/487994025.db2.gz UJFAUIPJOQKLMK-NOZJJQNGSA-N 1 0 244.294 1.486 40 0 BDABRO Clc1cccc(CN[C@H]2CC[NH2+]C2)c1 ZINC000072202934 487995059 /nfs/dbraw/zinc/99/50/59/487995059.db2.gz WNAHYHMDBDUZRE-NSHDSACASA-N 1 0 210.708 1.792 40 0 BDABRO CCCc1cc([C@@H]2CCCN2CC[NH3+])no1 ZINC000022763140 488051229 /nfs/dbraw/zinc/05/12/29/488051229.db2.gz ICVICHPXPAUQSO-LBPRGKRZSA-N 1 0 223.320 1.723 40 0 BDABRO CCOc1cc(CC(N)=[NH2+])ccc1COC ZINC000228969367 520692103 /nfs/dbraw/zinc/69/21/03/520692103.db2.gz DJTWZFGQQXQDBJ-UHFFFAOYSA-N 1 0 222.288 1.710 40 0 BDABRO COc1ccc(C)c(NC(=O)C2CC[NH2+]CC2)c1 ZINC000083914313 523796161 /nfs/dbraw/zinc/79/61/61/523796161.db2.gz UWKZYTOYMVDKRD-UHFFFAOYSA-N 1 0 248.326 1.942 40 0 BDABRO C[C@@H]1[C@H]([NH3+])C(=O)N1c1ccc2ccccc2c1 ZINC000225776767 525699571 /nfs/dbraw/zinc/69/95/71/525699571.db2.gz BYHYCDUINMCLOR-RNCFNFMXSA-N 1 0 226.279 1.902 40 0 BDABRO Oc1cc(O)cc(Nc2cc[nH+]cc2)c1 ZINC000685937178 583176153 /nfs/dbraw/zinc/17/61/53/583176153.db2.gz CFSBAYPFMKCJHV-UHFFFAOYSA-N 1 0 202.213 1.658 40 0 BDABRO CCCC[C@H]1C[C@@H](O)C[N@@H+]1CCOC ZINC000217881683 584911535 /nfs/dbraw/zinc/91/15/35/584911535.db2.gz BXTVTPFYUDYCPX-WDEREUQCSA-N 1 0 201.310 1.258 40 0 BDABRO Cc1ccc2[nH]c(CO[C@H]3C[NH2+]C[C@H]3F)nc2c1 ZINC000096111978 644796547 /nfs/dbraw/zinc/79/65/47/644796547.db2.gz YXLVMEZMTMEQSK-SKDRFNHKSA-N 1 0 249.289 1.698 40 0 biogenic,in-vitro BDABRO CC[N@@H+]1CCC[C@@H](c2cccc(C(=O)NC)n2)C1 ZINC000072360820 343979490 /nfs/dbraw/zinc/97/94/90/343979490.db2.gz DVJSQIOSFNIAND-LLVKDONJSA-N 1 0 247.342 1.641 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccc(C(N)=O)n1 ZINC000072379393 343979922 /nfs/dbraw/zinc/97/99/22/343979922.db2.gz LMGQXJFAAKNEQI-ZDUSSCGKSA-N 1 0 247.342 1.973 40 0 BDABRO Cc1cc(NCC[NH3+])nc(-c2ccccc2)n1 ZINC000008731081 178161094 /nfs/dbraw/zinc/16/10/94/178161094.db2.gz OADINNFJMIKRER-UHFFFAOYSA-N 1 0 228.299 1.823 40 0 BDABRO Cc1cc(=O)cc([C@@H]2CCC[N@@H+](C)C2)[nH]1 ZINC000072381209 178199615 /nfs/dbraw/zinc/19/96/15/178199615.db2.gz DXCJWFDNSCCFCK-SNVBAGLBSA-N 1 0 206.289 1.905 40 0 BDABRO Cc1cc[n+](C[C@@H](O)COc2ccccc2)cc1 ZINC000000297627 178309359 /nfs/dbraw/zinc/30/93/59/178309359.db2.gz DMLKFJMLGOJPRZ-CQSZACIVSA-N 1 0 244.314 1.722 40 0 BDABRO Cc1ccc(-c2nc(CC[NH3+])no2)cc1 ZINC000008729367 178334216 /nfs/dbraw/zinc/33/42/16/178334216.db2.gz VSVAJFMJCOJEII-UHFFFAOYSA-N 1 0 203.245 1.546 40 0 BDABRO Cc1ccc(-c2nnc([C@H](C)[NH3+])[nH]2)cc1 ZINC000061843921 178331398 /nfs/dbraw/zinc/33/13/98/178331398.db2.gz AVMRBAQMKINRLM-QMMMGPOBSA-N 1 0 202.261 1.800 40 0 BDABRO COc1ccc2c(c1)C[C@H](CC[NH3+])C(=O)N2C ZINC000064874357 259313119 /nfs/dbraw/zinc/31/31/19/259313119.db2.gz FRCZDAXAIWJVSA-VIFPVBQESA-N 1 0 234.299 1.179 40 0 BDABRO N[C@H](c1noc(C2CC2)n1)[C@H]1CCCO1 ZINC000070453716 259313790 /nfs/dbraw/zinc/31/37/90/259313790.db2.gz ZOQJUIAQKXXWOE-SFYZADRCSA-N 1 0 209.249 1.126 40 0 BDABRO Cn1cc[n+](C(F)(F)[Si](C)(C)C)c1 ZINC000223063877 398274642 /nfs/dbraw/zinc/27/46/42/398274642.db2.gz ICZPXEIODVDXMZ-UHFFFAOYSA-N 1 0 205.304 1.739 40 0 BDABRO Cc1noc2ncnc(NCCC[NH+](C)C)c12 ZINC000001558992 342702849 /nfs/dbraw/zinc/70/28/49/342702849.db2.gz NRJMQCBEPZNODF-UHFFFAOYSA-N 1 0 235.291 1.290 40 0 BDABRO [NH3+][C@@H]1CCCN(c2cn(-c3ccccc3)nn2)C1 ZINC000072221030 259319251 /nfs/dbraw/zinc/31/92/51/259319251.db2.gz JGGXORGKMTXJGH-LLVKDONJSA-N 1 0 243.314 1.195 40 0 BDABRO Cc1[nH+]c(N)nc(N)c1-c1ccccc1 ZINC000013284968 398305162 /nfs/dbraw/zinc/30/51/62/398305162.db2.gz RBOOBZAJMOATAV-UHFFFAOYSA-N 1 0 200.245 1.616 40 0 BDABRO CC(C)(C)OC(=O)N[C@H]1CC[NH2+]CC[C@H]1F ZINC000219626569 342881078 /nfs/dbraw/zinc/88/10/78/342881078.db2.gz KMTQQQXYBFJDEP-BDAKNGLRSA-N 1 0 232.299 1.601 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2[NH3+] ZINC000020285992 342980668 /nfs/dbraw/zinc/98/06/68/342980668.db2.gz HGLKMYOTFGKEDG-HLTSFMKQSA-N 1 0 212.293 1.343 40 0 BDABRO CC[C@@H](C)[C@@H]([NH3+])CN(C)CCc1ccncc1 ZINC000048260175 343054768 /nfs/dbraw/zinc/05/47/68/343054768.db2.gz MSXXWKCWHXGNDA-OCCSQVGLSA-N 1 0 235.375 1.929 40 0 BDABRO C[C@H](O)C[NH2+]CCNCc1ccc(Cl)cc1 ZINC000022074967 136277860 /nfs/dbraw/zinc/27/78/60/136277860.db2.gz JQSPBIRSZVHZTA-JTQLQIEISA-N 1 0 242.750 1.400 40 0 BDABRO O=[S@](c1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000034103766 343264676 /nfs/dbraw/zinc/26/46/76/343264676.db2.gz QJYGKJCHJWBTDX-HZMBPMFUSA-N 1 0 229.732 1.810 40 0 BDABRO Clc1cccnc1NC1CC[NH2+]CC1 ZINC000036962411 343328735 /nfs/dbraw/zinc/32/87/35/343328735.db2.gz QXVUCBIBTPSMNZ-UHFFFAOYSA-N 1 0 211.696 1.899 40 0 BDABRO O=C1N(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000038813292 343379530 /nfs/dbraw/zinc/37/95/30/343379530.db2.gz RXJFGKKSPAGPCK-UHFFFAOYSA-N 1 0 230.311 1.399 40 0 BDABRO Fc1ccc(CN2CCC[NH2+]CC2)c(F)c1 ZINC000038086927 343369936 /nfs/dbraw/zinc/36/99/36/343369936.db2.gz GJBYWPPOOYMNHP-UHFFFAOYSA-N 1 0 226.270 1.760 40 0 BDABRO Fc1ccc(-n2ncc3c2CC[NH2+]C3)cc1 ZINC000040441646 343403143 /nfs/dbraw/zinc/40/31/43/343403143.db2.gz MKYQMDIHBVCACW-UHFFFAOYSA-N 1 0 217.247 1.657 40 0 BDABRO CCN(Cc1cnn(CC)c1)C[C@H]([NH3+])C(C)C ZINC000096523747 343758423 /nfs/dbraw/zinc/75/84/23/343758423.db2.gz XLFJKZMXUIHBMS-ZDUSSCGKSA-N 1 0 238.379 1.708 40 0 BDABRO [NH3+][C@@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000038538940 343783275 /nfs/dbraw/zinc/78/32/75/343783275.db2.gz RPHPEOHGOGNQHH-SNVBAGLBSA-N 1 0 212.243 1.498 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)o1 ZINC000229210053 343793819 /nfs/dbraw/zinc/79/38/19/343793819.db2.gz NURKQWMARMRHQE-DTWKUNHWSA-N 1 0 209.245 1.064 40 0 BDABRO [NH3+]Cc1cn(Cc2ccc(F)cc2F)cn1 ZINC000236234598 343795487 /nfs/dbraw/zinc/79/54/87/343795487.db2.gz YHDXNHCDOHPGRW-UHFFFAOYSA-N 1 0 223.226 1.668 40 0 BDABRO CO[C@H]1CC[NH2+]C[C@H]1Cc1ccccc1F ZINC000221730642 346987327 /nfs/dbraw/zinc/98/73/27/346987327.db2.gz VCBFOQGKCSUXAW-YPMHNXCESA-N 1 0 223.291 1.993 40 0 BDABRO CCOc1ccccc1[C@@H]1C[NH2+]C[C@H]1CO ZINC000396970881 343811138 /nfs/dbraw/zinc/81/11/38/343811138.db2.gz KDXIMIHSZYAWDX-CMPLNLGQSA-N 1 0 221.300 1.381 40 0 BDABRO C[NH2+]CCCc1cnn(CC(F)F)c1 ZINC000575623389 343876150 /nfs/dbraw/zinc/87/61/50/343876150.db2.gz OAQXLKQXGPFXGO-UHFFFAOYSA-N 1 0 203.236 1.300 40 0 BDABRO CO[C@H]1CCOC2(CN(Cc3ccco3)C2)C1 ZINC000585105383 344134530 /nfs/dbraw/zinc/13/45/30/344134530.db2.gz VRCOIFKANVKCJQ-NSHDSACASA-N 1 0 237.299 1.659 40 0 BDABRO CC(C)C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000054856569 259373861 /nfs/dbraw/zinc/37/38/61/259373861.db2.gz GWAIAXUJANSACU-UHFFFAOYSA-N 1 0 234.347 1.822 40 0 BDABRO CCN1CCC2(CC[NH+](CC3CC3)CC2)C1=O ZINC000096046756 344365510 /nfs/dbraw/zinc/36/55/10/344365510.db2.gz OJNUBXOODUANEJ-UHFFFAOYSA-N 1 0 236.359 1.731 40 0 BDABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncccn1 ZINC000096055781 344365942 /nfs/dbraw/zinc/36/59/42/344365942.db2.gz GXWIMAJTECTLMP-QWHCGFSZSA-N 1 0 246.358 1.786 40 0 BDABRO Clc1ccccc1OC[C@@H]1C[NH2+]CCO1 ZINC000011587417 344375012 /nfs/dbraw/zinc/37/50/12/344375012.db2.gz RYWXNQIWNDSHQK-VIFPVBQESA-N 1 0 227.691 1.707 40 0 BDABRO c1ncc2nc([C@@H]3CCCC[NH2+]3)[nH]c2n1 ZINC000084252541 344409362 /nfs/dbraw/zinc/40/93/62/344409362.db2.gz UIWWWFQILXJOCS-ZETCQYMHSA-N 1 0 203.249 1.168 40 0 BDABRO Cc1cc([C@@H]2CCCC[N@H+]2C)c[nH]c1=O ZINC000072217971 344513979 /nfs/dbraw/zinc/51/39/79/344513979.db2.gz CEHJVFUALXIYEK-NSHDSACASA-N 1 0 206.289 1.840 40 0 BDABRO Cn1ccc2cc(C[C@H]3C[NH2+]CCOC3)ccc21 ZINC000205672099 345145453 /nfs/dbraw/zinc/14/54/53/345145453.db2.gz ACTCOVRJLYGYFR-ZDUSSCGKSA-N 1 0 244.338 1.957 40 0 BDABRO Cn1nccc1-c1cnc([C@@H]2CCC[NH2+]2)cn1 ZINC000205681531 347454019 /nfs/dbraw/zinc/45/40/19/347454019.db2.gz MVRYDLOOMHPBTC-VIFPVBQESA-N 1 0 229.287 1.302 40 0 BDABRO Cc1cnc(NC[C@H]2CCCC[NH2+]2)nc1Cl ZINC000072203717 179636634 /nfs/dbraw/zinc/63/66/34/179636634.db2.gz QHADXJADSFVMNV-SECBINFHSA-N 1 0 240.738 1.992 40 0 BDABRO CC(C)(C)OC(=O)N[C@]1(CF)CC[NH2+]C1 ZINC000039094080 349275579 /nfs/dbraw/zinc/27/55/79/349275579.db2.gz OFIDGFKUTVYMAH-JTQLQIEISA-N 1 0 218.272 1.213 40 0 BDABRO C[C@]1(O)CC[NH2+]C[C@H]1N1CCc2ccccc2C1 ZINC000306046590 538043324 /nfs/dbraw/zinc/04/33/24/538043324.db2.gz TVUPGFUXRDARBK-CABCVRRESA-N 1 0 246.354 1.158 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000261507328 490271880 /nfs/dbraw/zinc/27/18/80/490271880.db2.gz HLEQZRPOOJVDHJ-ILWJIGKKSA-N 1 0 226.320 1.591 40 0 BDABRO Cc1ccc(F)cc1CN1CC[C@@H]([NH3+])C1 ZINC000038538987 362959688 /nfs/dbraw/zinc/95/96/88/362959688.db2.gz FSBLZVLSYFKOFG-GFCCVEGCSA-N 1 0 208.280 1.667 40 0 BDABRO CC(C)(C)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000048326745 350699053 /nfs/dbraw/zinc/69/90/53/350699053.db2.gz CVNAEQRNZIBTTA-UHFFFAOYSA-N 1 0 234.347 1.965 40 0 BDABRO COc1ccc([C@H]2CC[C@H](CO)[NH2+]2)cc1 ZINC000213517916 363022950 /nfs/dbraw/zinc/02/29/50/363022950.db2.gz MMWBYNKOFUNQKW-ZYHUDNBSSA-N 1 0 207.273 1.481 40 0 BDABRO C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000000035457 363043471 /nfs/dbraw/zinc/04/34/71/363043471.db2.gz VAZXXAVHCHRHJJ-WCQYABFASA-N 1 0 220.316 1.989 40 0 biogenic,in-vitro BDABRO C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000040414596 363145040 /nfs/dbraw/zinc/14/50/40/363145040.db2.gz XBQPGKREUKFCAL-YUMQZZPRSA-N 1 0 210.252 1.350 40 0 BDABRO CC(C)N1CC=CC[C@@H](C2CC[NH2+]CC2)C1=O ZINC000257197497 187842131 /nfs/dbraw/zinc/84/21/31/187842131.db2.gz BFQUJIHBFCIPTG-ZDUSSCGKSA-N 1 0 236.359 1.799 40 0 BDABRO FC(F)Cn1cc(C2CC[NH2+]CC2)cn1 ZINC000095097687 180903423 /nfs/dbraw/zinc/90/34/23/180903423.db2.gz AKXCEHOZVOWLGW-UHFFFAOYSA-N 1 0 215.247 1.615 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nc(-c2ccccc2O)n[nH]1 ZINC000095534703 188499461 /nfs/dbraw/zinc/49/94/61/188499461.db2.gz QNDSYVPYARQCKL-SNVBAGLBSA-N 1 0 232.287 1.833 40 0 BDABRO NC(=[NH2+])NCCc1ccccc1Br ZINC000071551275 181189602 /nfs/dbraw/zinc/18/96/02/181189602.db2.gz NYEOOBSMEKTBRR-UHFFFAOYSA-N 1 0 242.120 1.475 40 0 BDABRO Cc1ccc(OC[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000383837360 355385469 /nfs/dbraw/zinc/38/54/69/355385469.db2.gz XICRNSZHQSUKBQ-CYBMUJFWSA-N 1 0 221.300 1.488 40 0 BDABRO NC(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000037460216 181265028 /nfs/dbraw/zinc/26/50/28/181265028.db2.gz SYUMSYFGKUVKCP-ZETCQYMHSA-N 1 0 218.178 1.191 40 0 BDABRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000039199443 181271156 /nfs/dbraw/zinc/27/11/56/181271156.db2.gz SOZQAONWQPHCPN-NSHDSACASA-N 1 0 204.273 1.136 40 0 BDABRO COc1ccc(O[C@H]2CC[NH2+]C2)cc1OC ZINC000216019042 363474116 /nfs/dbraw/zinc/47/41/16/363474116.db2.gz HKFDKWBXYUUWSF-JTQLQIEISA-N 1 0 223.272 1.445 40 0 BDABRO [NH3+][C@@H]1CC[C@H](CN2CCC(F)(F)C2)C1 ZINC000306220338 359340262 /nfs/dbraw/zinc/34/02/62/359340262.db2.gz HTUKXLQEYOWJFK-DTWKUNHWSA-N 1 0 204.264 1.455 40 0 BDABRO CCCNc1ncc(C[NH2+]CCCCO)cn1 ZINC000062717730 259521723 /nfs/dbraw/zinc/52/17/23/259521723.db2.gz ANBZKHSDOIPDTM-UHFFFAOYSA-N 1 0 238.335 1.161 40 0 BDABRO NC1(c2ccccc2Cl)CC[NH2+]CC1 ZINC000090494811 181335074 /nfs/dbraw/zinc/33/50/74/181335074.db2.gz CLJKDNJPPDVEOJ-UHFFFAOYSA-N 1 0 210.708 1.877 40 0 BDABRO [NH3+]C1CCC2(CCC(=O)N2CC2CC2)CC1 ZINC000096075869 181342151 /nfs/dbraw/zinc/34/21/51/181342151.db2.gz FQCAYIDYQYJEFP-UHFFFAOYSA-N 1 0 222.332 1.659 40 0 BDABRO [NH3+]C1CCN(CCC(=O)c2ccccc2)CC1 ZINC000044029813 181343936 /nfs/dbraw/zinc/34/39/36/181343936.db2.gz RDAIZNZODBCOOG-UHFFFAOYSA-N 1 0 232.327 1.683 40 0 BDABRO [NH3+]C1CCN(Cc2cccnc2Cl)CC1 ZINC000052709496 181345193 /nfs/dbraw/zinc/34/51/93/181345193.db2.gz LFRBELWFKAVITQ-UHFFFAOYSA-N 1 0 225.723 1.658 40 0 BDABRO [NH3+]C1CCN(Cc2cnc(Cl)s2)CC1 ZINC000040434252 181345108 /nfs/dbraw/zinc/34/51/08/181345108.db2.gz WIVWCDAGWOCVHZ-UHFFFAOYSA-N 1 0 231.752 1.720 40 0 BDABRO [NH3+]CC(=O)NCc1c(Cl)cccc1Cl ZINC000079420210 181353462 /nfs/dbraw/zinc/35/34/62/181353462.db2.gz BSJKVMBUPPKGBW-UHFFFAOYSA-N 1 0 233.098 1.568 40 0 BDABRO [NH3+]CCCCCCN1C(=O)c2ccccc2C1=O ZINC000044367434 181375418 /nfs/dbraw/zinc/37/54/18/181375418.db2.gz UVCWESYZMOPBTO-UHFFFAOYSA-N 1 0 246.310 1.802 40 0 BDABRO [NH3+]CCNc1ccccc1Br ZINC000019732748 181398288 /nfs/dbraw/zinc/39/82/88/181398288.db2.gz BRYIUVSVUFEEJW-UHFFFAOYSA-N 1 0 215.094 1.820 40 0 BDABRO [NH3+]CCO[C@H]1CCN(c2ccccc2)C1 ZINC000096528308 181399111 /nfs/dbraw/zinc/39/91/11/181399111.db2.gz RFDLZRNSMHNDRB-LBPRGKRZSA-N 1 0 206.289 1.241 40 0 BDABRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(C)CC1 ZINC000011959250 370803812 /nfs/dbraw/zinc/80/38/12/370803812.db2.gz ABKYPXAITGORTR-MNOVXSKESA-N 1 0 212.337 1.618 40 0 BDABRO Cn1nccc1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000205690390 368357866 /nfs/dbraw/zinc/35/78/66/368357866.db2.gz GGSRHBYQOIPCGO-UHFFFAOYSA-N 1 0 242.326 1.949 40 0 BDABRO O=C1OCCN1c1cccc(C2CC[NH2+]CC2)n1 ZINC000205690478 368358188 /nfs/dbraw/zinc/35/81/88/368358188.db2.gz MJWGOEQFIMKOIO-UHFFFAOYSA-N 1 0 247.298 1.505 40 0 BDABRO c1ccc(C[C@@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000205697028 368358836 /nfs/dbraw/zinc/35/88/36/368358836.db2.gz ALYXAMZFDNMFSK-CYBMUJFWSA-N 1 0 232.327 1.783 40 0 BDABRO Cn1nccc1-c1cncc(C2CC[NH2+]CC2)n1 ZINC000205690362 369997061 /nfs/dbraw/zinc/99/70/61/369997061.db2.gz YBSZTDGLKLFXPG-UHFFFAOYSA-N 1 0 243.314 1.344 40 0 BDABRO Cc1ccc(Cn2cncc2C[NH3+])cc1 ZINC000075126451 370090064 /nfs/dbraw/zinc/09/00/64/370090064.db2.gz UOVMXTNJNBMMTD-UHFFFAOYSA-N 1 0 201.273 1.699 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccn2)CC1 ZINC000100809647 181591805 /nfs/dbraw/zinc/59/18/05/181591805.db2.gz GTEXDELEPPTQEF-AOOOYVTPSA-N 1 0 219.288 1.081 40 0 BDABRO [NH3+][C@H]1COc2cc(Br)ccc2C1 ZINC000082351175 181656050 /nfs/dbraw/zinc/65/60/50/181656050.db2.gz PENWOCORUAEMTR-MRVPVSSYSA-N 1 0 228.089 1.711 40 0 BDABRO [NH3+][C@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000038538942 181652204 /nfs/dbraw/zinc/65/22/04/181652204.db2.gz RPHPEOHGOGNQHH-JTQLQIEISA-N 1 0 212.243 1.498 40 0 BDABRO [NH3+][C@]12C[C@H]1CN(Cc1ccc(F)cc1)C2 ZINC000096054689 181662703 /nfs/dbraw/zinc/66/27/03/181662703.db2.gz OHIMURQOEARGPK-JQWIXIFHSA-N 1 0 206.264 1.359 40 0 BDABRO O=C(N[C@H]1CCC[NH2+]C1)c1cccnc1Cl ZINC000079438981 182329758 /nfs/dbraw/zinc/32/97/58/182329758.db2.gz UIAZELJNOZYLEX-QMMMGPOBSA-N 1 0 239.706 1.217 40 0 BDABRO O=C(Nc1ccccc1F)NC1CC[NH2+]CC1 ZINC000012644912 182379604 /nfs/dbraw/zinc/37/96/04/182379604.db2.gz WDOZSYDMBWZWTJ-UHFFFAOYSA-N 1 0 237.278 1.699 40 0 BDABRO O=C1C[C@]2(CC[NH2+]C2)CN1c1cccc(F)c1 ZINC000096100169 182787010 /nfs/dbraw/zinc/78/70/10/182787010.db2.gz CZLDUOWXMFKFBY-ZDUSSCGKSA-N 1 0 234.274 1.542 40 0 BDABRO O=C1Nc2ccccc2CN1[C@@H]1CCC[NH2+]C1 ZINC000083351174 182824904 /nfs/dbraw/zinc/82/49/04/182824904.db2.gz FGKIBMQFVBDQKL-LLVKDONJSA-N 1 0 231.299 1.786 40 0 BDABRO OCCCN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000195534238 183056326 /nfs/dbraw/zinc/05/63/26/183056326.db2.gz UZOSDLIXRVFDFT-BFHYXJOUSA-N 1 0 238.375 1.175 40 0 BDABRO OCC[N@H+](Cc1cccc2c1OCCO2)C1CC1 ZINC000058907769 183071085 /nfs/dbraw/zinc/07/10/85/183071085.db2.gz HUZPOJPWXPQUNX-UHFFFAOYSA-N 1 0 249.310 1.415 40 0 BDABRO OCCOC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079390545 183087025 /nfs/dbraw/zinc/08/70/25/183087025.db2.gz QRSIIMZBNQMNLA-HNNXBMFYSA-N 1 0 249.354 1.908 40 0 BDABRO OCC[C@H]1C[NH2+]Cc2cccc(Cl)c21 ZINC000095884232 183098806 /nfs/dbraw/zinc/09/88/06/183098806.db2.gz WCMPXYYISLKSAY-VIFPVBQESA-N 1 0 211.692 1.909 40 0 BDABRO [O-][n+]1ccc(C2CC[NH2+]CC2)c2ccccc21 ZINC000002527206 183319171 /nfs/dbraw/zinc/31/91/71/183319171.db2.gz HAPWZHVNHWMCEJ-UHFFFAOYSA-N 1 0 228.295 1.940 40 0 BDABRO c1c2c(nn1CC1CC1)C[C@@H]1CC[C@H]2[NH2+]1 ZINC000096510248 183322935 /nfs/dbraw/zinc/32/29/35/183322935.db2.gz PJWQIDGDXDDCMB-GXSJLCMTSA-N 1 0 203.289 1.642 40 0 BDABRO c1cc(-c2n[nH]c(C3CC[NH2+]CC3)n2)ccn1 ZINC000012114034 183330976 /nfs/dbraw/zinc/33/09/76/183330976.db2.gz WEFKFJSHHOFAPQ-UHFFFAOYSA-N 1 0 229.287 1.334 40 0 BDABRO c1cc2c(cc1C1CC[NH2+]CC1)OCCO2 ZINC000019835062 183366636 /nfs/dbraw/zinc/36/66/36/183366636.db2.gz XCHZRGYVGHQNCL-UHFFFAOYSA-N 1 0 219.284 1.925 40 0 BDABRO c1cc2c(cc1[C@H]1CCC[NH2+]C1)OCCO2 ZINC000057500382 183372173 /nfs/dbraw/zinc/37/21/73/183372173.db2.gz HTYFDMZIIBITQA-NSHDSACASA-N 1 0 219.284 1.925 40 0 BDABRO c1ccc(-c2nc(C3CC[NH2+]CC3)no2)nc1 ZINC000019402992 183382076 /nfs/dbraw/zinc/38/20/76/183382076.db2.gz XBMIKUIWSZAOCU-UHFFFAOYSA-N 1 0 230.271 1.599 40 0 BDABRO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1 ZINC000257323423 169250894 /nfs/dbraw/zinc/25/08/94/169250894.db2.gz WKCBBIIVWBMWEH-ZDUSSCGKSA-N 1 0 247.342 1.988 40 0 BDABRO c1ccc(Nc2nccc(C3C[NH2+]C3)n2)nc1 ZINC000257244878 183418801 /nfs/dbraw/zinc/41/88/01/183418801.db2.gz INEPNGTVAGXERP-UHFFFAOYSA-N 1 0 227.271 1.302 40 0 BDABRO CCC[C@@H]([NH3+])CN(C)Cc1cn(CC)nc1C ZINC000096523990 169393240 /nfs/dbraw/zinc/39/32/40/169393240.db2.gz XKFPMNWWVDHTMC-CYBMUJFWSA-N 1 0 238.379 1.771 40 0 BDABRO CC(C)(C)OC(=O)N1CC2CC1(C[NH3+])C2 ZINC000066351344 166645064 /nfs/dbraw/zinc/64/50/64/166645064.db2.gz PORGHNCLXWCXOD-UHFFFAOYSA-N 1 0 212.293 1.345 40 0 BDABRO CS(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@@H](C2)C1 ZINC000001662155 383918692 /nfs/dbraw/zinc/91/86/92/383918692.db2.gz QDXYIESXVXMSDX-PHIMTYICSA-N 1 0 231.361 1.153 40 0 BDABRO CC(C)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000072356943 384013947 /nfs/dbraw/zinc/01/39/47/384013947.db2.gz KEIRCUXDMDLLRR-JTQLQIEISA-N 1 0 220.320 1.647 40 0 BDABRO CCc1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000143981562 384054145 /nfs/dbraw/zinc/05/41/45/384054145.db2.gz SPKSVNDBTWXMMU-UHFFFAOYSA-N 1 0 219.332 1.583 40 0 BDABRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000039093784 384101008 /nfs/dbraw/zinc/10/10/08/384101008.db2.gz IHGSPMZBMBIGHI-BDAKNGLRSA-N 1 0 214.309 1.639 40 0 BDABRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CCO)C1 ZINC000079414089 384136095 /nfs/dbraw/zinc/13/60/95/384136095.db2.gz HIJOQLFZFMQBGJ-AWEZNQCLSA-N 1 0 234.343 1.185 40 0 BDABRO C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000070755645 384136463 /nfs/dbraw/zinc/13/64/63/384136463.db2.gz CBQVBQSSFBFETE-UHFFFAOYSA-N 1 0 224.348 1.731 40 0 BDABRO C[NH+](C)CCNC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000005509017 384119123 /nfs/dbraw/zinc/11/91/23/384119123.db2.gz FLMRCMWDPRPBGI-STQMWFEESA-N 1 0 232.327 1.468 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@H](SCC[NH3+])C1 ZINC000079392215 384132861 /nfs/dbraw/zinc/13/28/61/384132861.db2.gz WDXSGKKGEFFQKF-VIFPVBQESA-N 1 0 246.376 1.688 40 0 BDABRO CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000005846103 384132918 /nfs/dbraw/zinc/13/29/18/384132918.db2.gz HZVGUDISFBCCJY-ZDUSSCGKSA-N 1 0 234.343 1.905 40 0 BDABRO CC(C)[C@H]([NH3+])C(=S)N1CCSC1 ZINC000072228932 384201533 /nfs/dbraw/zinc/20/15/33/384201533.db2.gz XJDKPOOQARPAEN-ZETCQYMHSA-N 1 0 204.364 1.303 40 0 BDABRO CC(=O)Nc1cnn(CC2CC[NH+](C)CC2)c1 ZINC000072350888 384210562 /nfs/dbraw/zinc/21/05/62/384210562.db2.gz FHFAKSHCNGCIHO-UHFFFAOYSA-N 1 0 236.319 1.183 40 0 BDABRO Cc1cc(C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072381297 384217145 /nfs/dbraw/zinc/21/71/45/384217145.db2.gz VNUFGHQCKGEVKW-NSHDSACASA-N 1 0 205.305 1.903 40 0 BDABRO CN(C)c1cc(C[C@@H]2CCC[N@H+](C)C2)ncn1 ZINC000072381289 384218061 /nfs/dbraw/zinc/21/80/61/384218061.db2.gz BGOROEKWRGCGHK-NSHDSACASA-N 1 0 234.347 1.427 40 0 BDABRO C=Cn1cc(C[N@@H+]2CCC[C@@H](O)C2)c(C)n1 ZINC000072397823 384221627 /nfs/dbraw/zinc/22/16/27/384221627.db2.gz NNNUVSJZUCXIRM-GFCCVEGCSA-N 1 0 221.304 1.249 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1OC ZINC000199307234 384241833 /nfs/dbraw/zinc/24/18/33/384241833.db2.gz WDEWEEAIKZZIRC-NWDGAFQWSA-N 1 0 249.310 1.513 40 0 BDABRO C[NH2+][C@H]1CC[C@H](N(C(C)=O)C2CC2)CC1 ZINC000100178697 384279228 /nfs/dbraw/zinc/27/92/28/384279228.db2.gz UHAFFGGCWDVZES-PHIMTYICSA-N 1 0 210.321 1.528 40 0 BDABRO CN(C)[C@@H]1CC[NH2+][C@H]1Cc1ccccc1 ZINC000096261350 384445667 /nfs/dbraw/zinc/44/56/67/384445667.db2.gz UDHIXRZVTVVJKW-QWHCGFSZSA-N 1 0 204.317 1.521 40 0 BDABRO O=C1C[C@@H](c2ccccc2)C2(CC[NH2+]CC2)N1 ZINC000096261175 384446341 /nfs/dbraw/zinc/44/63/41/384446341.db2.gz SMRADQIATRNKRA-LBPRGKRZSA-N 1 0 230.311 1.412 40 0 BDABRO COC[C@@H](C)[NH2+]CCC(=O)OC(C)(C)C ZINC000047218947 384447215 /nfs/dbraw/zinc/44/72/15/384447215.db2.gz ONKOOACPPITSHE-SECBINFHSA-N 1 0 217.309 1.343 40 0 BDABRO [NH3+][C@]12C[C@H]1CN(C(=O)c1cccc(Cl)c1)C2 ZINC000096054692 384428140 /nfs/dbraw/zinc/42/81/40/384428140.db2.gz DCBIGQXRIMBFOX-CABZTGNLSA-N 1 0 236.702 1.513 40 0 BDABRO C1CCC(N2CCO[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC000096049052 384428976 /nfs/dbraw/zinc/42/89/76/384428976.db2.gz JLDMPYWQDGDBRT-CQSZACIVSA-N 1 0 238.375 1.774 40 0 BDABRO [NH3+][C@@]12C[C@@H]1CN(C(=O)NC1CCCCC1)C2 ZINC000096054896 384429001 /nfs/dbraw/zinc/42/90/01/384429001.db2.gz LDRYVWPNCNQXTA-BXKDBHETSA-N 1 0 223.320 1.062 40 0 BDABRO CCCCNC(=O)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000096054171 384430222 /nfs/dbraw/zinc/43/02/22/384430222.db2.gz NVBKZVQVIKGPAZ-WDEREUQCSA-N 1 0 225.336 1.180 40 0 BDABRO c1coc(CN2CC3(C2)CCCC[NH2+]3)c1 ZINC000096050990 384430266 /nfs/dbraw/zinc/43/02/66/384430266.db2.gz AILRGHOYYLJBTR-UHFFFAOYSA-N 1 0 206.289 1.608 40 0 BDABRO CO[C@H]1C[N@H+](CC2CC2)[C@@H]2CCCO[C@@H]21 ZINC000096057422 384432394 /nfs/dbraw/zinc/43/23/94/384432394.db2.gz MDRIZROPEHXGPW-WOPDTQHZSA-N 1 0 211.305 1.275 40 0 BDABRO CC[N@@H+]1CCC[C@]12CCCN(c1ncccn1)C2 ZINC000096203215 384443501 /nfs/dbraw/zinc/44/35/01/384443501.db2.gz RKKWESKZFHITEB-AWEZNQCLSA-N 1 0 246.358 1.931 40 0 BDABRO c1cncc(N2CCC[C@]3(C[NH2+]CCO3)C2)c1 ZINC000096226324 384443510 /nfs/dbraw/zinc/44/35/10/384443510.db2.gz AMZZWJAZIRCTFJ-ZDUSSCGKSA-N 1 0 233.315 1.040 40 0 BDABRO COc1cc(C(N)=[NH2+])c(OC)cc1Cl ZINC000083256582 384462369 /nfs/dbraw/zinc/46/23/69/384462369.db2.gz INRYHQQPUITUMU-UHFFFAOYSA-N 1 0 214.652 1.641 40 0 BDABRO CC(C)(C)OC(=O)NC[C@]1(C)CC[NH2+]1 ZINC000238174296 384528927 /nfs/dbraw/zinc/52/89/27/384528927.db2.gz VZWUKGBWIMAIBP-JTQLQIEISA-N 1 0 200.282 1.263 40 0 BDABRO CNc1cc(C)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019686536 384531080 /nfs/dbraw/zinc/53/10/80/384531080.db2.gz QVNDQHMWEXGQAD-VIFPVBQESA-N 1 0 206.293 1.641 40 0 BDABRO CC(C)(C)OC(=O)N1CC([C@@H](F)C[NH3+])C1 ZINC000258226762 384548975 /nfs/dbraw/zinc/54/89/75/384548975.db2.gz FWUFPXRFMIHHAV-QMMMGPOBSA-N 1 0 218.272 1.150 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)cc1 ZINC000067173372 384559257 /nfs/dbraw/zinc/55/92/57/384559257.db2.gz FNKALRYQAVQRDR-RYUDHWBXSA-N 1 0 219.284 1.471 40 0 BDABRO [NH3+]Cc1ccc([C@@H]2CCNC(=O)C2)c(F)c1 ZINC000199775451 384540624 /nfs/dbraw/zinc/54/06/24/384540624.db2.gz NYUAPMKQWIFBOX-SECBINFHSA-N 1 0 222.263 1.278 40 0 BDABRO COC(=O)c1cc2c(c(F)c1)[C@@H]([NH3+])CC2 ZINC000238383594 384588271 /nfs/dbraw/zinc/58/82/71/384588271.db2.gz WRIPLDISBGJDLL-VIFPVBQESA-N 1 0 209.220 1.558 40 0 BDABRO CCOc1cccc2c1N(C)C[C@H](C[NH3+])C2 ZINC000083017596 384625017 /nfs/dbraw/zinc/62/50/17/384625017.db2.gz VYDZZJINJXHJEH-JTQLQIEISA-N 1 0 220.316 1.653 40 0 BDABRO Fc1ccc(CNC2CC[NH2+]CC2)c(F)c1 ZINC000051016997 384655450 /nfs/dbraw/zinc/65/54/50/384655450.db2.gz FPQNJPSIAOUUJF-UHFFFAOYSA-N 1 0 226.270 1.806 40 0 BDABRO COc1cccc2c1N(C)C[C@@H](C[NH3+])C2 ZINC000075068740 384696564 /nfs/dbraw/zinc/69/65/64/384696564.db2.gz JSJXLVPKXPGNHH-SECBINFHSA-N 1 0 206.289 1.262 40 0 BDABRO CCCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932136 384759731 /nfs/dbraw/zinc/75/97/31/384759731.db2.gz RYIQOSVQISSMEY-NSHDSACASA-N 1 0 225.336 1.276 40 0 BDABRO Cc1ccn([C@@H](C)[C@H]2CCCN2CC[NH3+])n1 ZINC000022763124 384772432 /nfs/dbraw/zinc/77/24/32/384772432.db2.gz TZNNEOLHPHZQRJ-NWDGAFQWSA-N 1 0 222.336 1.176 40 0 BDABRO c1ccc(COC[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)nc1 ZINC000107488049 384972840 /nfs/dbraw/zinc/97/28/40/384972840.db2.gz KADOWRCBBOSVRK-MGPQQGTHSA-N 1 0 248.326 1.508 40 0 BDABRO CC(C)COC[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC000107489158 384973428 /nfs/dbraw/zinc/97/34/28/384973428.db2.gz ICHPWYPEWVIWMC-IJLUTSLNSA-N 1 0 213.321 1.569 40 0 BDABRO C[C@@H]1Cc2ccccc2N1C(=O)CSC(N)=[NH2+] ZINC000029334364 384989538 /nfs/dbraw/zinc/98/95/38/384989538.db2.gz ZMISGTPMNQBRQS-MRVPVSSYSA-N 1 0 249.339 1.591 40 0 BDABRO CSc1nc(Cl)cc(N[C@H]2CC[NH2+]C2)n1 ZINC000072203392 385053598 /nfs/dbraw/zinc/05/35/98/385053598.db2.gz OBXNLLGHSIPVFG-LURJTMIESA-N 1 0 244.751 1.626 40 0 BDABRO [NH3+]C[C@H]1CCCCN1Cc1cncs1 ZINC000072203313 385055791 /nfs/dbraw/zinc/05/57/91/385055791.db2.gz VMNTYFGUTACXJA-SECBINFHSA-N 1 0 211.334 1.456 40 0 BDABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](O)C[NH3+] ZINC000072207827 385060444 /nfs/dbraw/zinc/06/04/44/385060444.db2.gz CDFMLBYKFFGCGO-NXEZZACHSA-N 1 0 244.335 1.096 40 0 BDABRO C[NH+](C)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000072210159 385063625 /nfs/dbraw/zinc/06/36/25/385063625.db2.gz DUVBSPSZLSXXOE-ZDUSSCGKSA-N 1 0 218.300 1.354 40 0 BDABRO CC(=O)N1CCC[C@@H]1c1ccc(N)nc1 ZINC000072212355 385075556 /nfs/dbraw/zinc/07/55/56/385075556.db2.gz XWBVRZVOIZYJJV-SNVBAGLBSA-N 1 0 205.261 1.347 40 0 BDABRO CC[C@H](O)c1cnc(N2CC[NH+](C)CC2)cc1C ZINC000072223603 385115587 /nfs/dbraw/zinc/11/55/87/385115587.db2.gz WBSBONZZHDPEEQ-ZDUSSCGKSA-N 1 0 249.358 1.585 40 0 BDABRO Cc1cc(N2CC[NH+](C)CC2)ncc1[C@H](C)O ZINC000072223602 385115884 /nfs/dbraw/zinc/11/58/84/385115884.db2.gz XRPIBSWREWUQSC-NSHDSACASA-N 1 0 235.331 1.195 40 0 BDABRO Nc1ccc([C@@H](O)c2ccccc2)cn1 ZINC000072225126 385121288 /nfs/dbraw/zinc/12/12/88/385121288.db2.gz SMQCUKIZNUUDJL-LBPRGKRZSA-N 1 0 200.241 1.746 40 0 BDABRO c1cc(N2CCOCC2)ncc1[C@H]1CCC[NH2+]1 ZINC000072216145 385094938 /nfs/dbraw/zinc/09/49/38/385094938.db2.gz UCWBXAUARBPGBQ-GFCCVEGCSA-N 1 0 233.315 1.343 40 0 BDABRO Cc1ccc([C@H](O)C2(C[NH3+])CC(C)C2)o1 ZINC000085396187 385162213 /nfs/dbraw/zinc/16/22/13/385162213.db2.gz DVDPFRSYJHOCLP-HBWJCNCUSA-N 1 0 209.289 1.996 40 0 BDABRO Cc1nc(C2CC2)nc(N2CCC[NH2+]CC2)c1C ZINC000096517015 385256269 /nfs/dbraw/zinc/25/62/69/385256269.db2.gz HOBYHQWFSPSEEU-UHFFFAOYSA-N 1 0 246.358 1.771 40 0 BDABRO Cc1ccc(C[N@@H+]2CC[C@H](O)C2)c(C)c1 ZINC000096311759 385314144 /nfs/dbraw/zinc/31/41/44/385314144.db2.gz NDTDRLYBIWPXLW-ZDUSSCGKSA-N 1 0 205.301 1.870 40 0 BDABRO Cc1noc(C)c1CCN1CCCC[C@H]1C[NH3+] ZINC000096523593 385267190 /nfs/dbraw/zinc/26/71/90/385267190.db2.gz YGNXHYFQHCYZKL-LBPRGKRZSA-N 1 0 237.347 1.647 40 0 BDABRO [NH3+][C@H](Cc1ccccc1)CN1CCC[C@@H]1CO ZINC000096523470 385269038 /nfs/dbraw/zinc/26/90/38/385269038.db2.gz FBGLDEKTMMVMJS-ZIAGYGMSSA-N 1 0 234.343 1.013 40 0 BDABRO CCCn1nc(C)cc1CN(C)CCC[NH3+] ZINC000096523787 385269536 /nfs/dbraw/zinc/26/95/36/385269536.db2.gz GKSCVFVVOKDQPX-UHFFFAOYSA-N 1 0 224.352 1.382 40 0 BDABRO Cc1ccc(N2CCN(C[C@H](C)[NH3+])CC2)c(C)c1 ZINC000096523927 385272133 /nfs/dbraw/zinc/27/21/33/385272133.db2.gz NIKAZEINGHWAMN-AWEZNQCLSA-N 1 0 247.386 1.773 40 0 BDABRO CC[C@H]([C@H]([NH3+])c1cccc(F)c1)S(C)(=O)=O ZINC000096524896 385278043 /nfs/dbraw/zinc/27/80/43/385278043.db2.gz RUEODEQCTMMNTB-GHMZBOCLSA-N 1 0 245.319 1.649 40 0 BDABRO CC[C@H]([C@H]([NH3+])c1ccc(F)cc1)S(C)(=O)=O ZINC000096524888 385278326 /nfs/dbraw/zinc/27/83/26/385278326.db2.gz VXEIIGMVROFLPI-GHMZBOCLSA-N 1 0 245.319 1.649 40 0 BDABRO CC[C@H]([C@H]([NH3+])C(C)(C)C)S(=O)(=O)CC ZINC000096524987 385278655 /nfs/dbraw/zinc/27/86/55/385278655.db2.gz LTGLMVZZOWMPKI-BDAKNGLRSA-N 1 0 221.366 1.573 40 0 BDABRO FC(F)(F)[C@]1(OCC2CC2)CC[NH2+]C1 ZINC000096529918 385284200 /nfs/dbraw/zinc/28/42/00/385284200.db2.gz SKLKFVZYBMIMLZ-QMMMGPOBSA-N 1 0 209.211 1.707 40 0 BDABRO CC(C)[C@@H](C[C@H]1CCCC[NH2+]1)OC1COC1 ZINC000096530072 385284263 /nfs/dbraw/zinc/28/42/63/385284263.db2.gz ABEUXFLSJOQJDM-DGCLKSJQSA-N 1 0 227.348 1.959 40 0 BDABRO O=C1N[C@@]2(C[C@H]3CC[C@@H]2[NH2+]3)Nc2ccccc21 ZINC000013568159 385352207 /nfs/dbraw/zinc/35/22/07/385352207.db2.gz ZSRFQAUXAHSYLG-YDEJPDAXSA-N 1 0 229.283 1.063 40 0 BDABRO CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CO1 ZINC000095097820 385454594 /nfs/dbraw/zinc/45/45/94/385454594.db2.gz SESQQHGOEZIHFX-NEPJUHHUSA-N 1 0 240.347 1.108 40 0 BDABRO [NH3+]C[C@H](c1ccccn1)N1CCCCCC1 ZINC000019395040 385513639 /nfs/dbraw/zinc/51/36/39/385513639.db2.gz LQKHGGQOGXXYGW-CYBMUJFWSA-N 1 0 219.332 1.957 40 0 BDABRO C[NH+](C)C[C@@H]1C(=O)[C@@H]2C[C@H]1[C@H]1CCC[C@H]21 ZINC000004807774 385613129 /nfs/dbraw/zinc/61/31/29/385613129.db2.gz NGVULNLBXHSZGF-NGDQXYMTSA-N 1 0 207.317 1.799 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)C2CCCCC2)CC1 ZINC000255189527 385713069 /nfs/dbraw/zinc/71/30/69/385713069.db2.gz QKEQZFVJHTVITP-HAQNSBGRSA-N 1 0 224.348 1.953 40 0 BDABRO C([C@@H]1CCCC[NH2+]1)N1CCSCC1 ZINC000020257467 385669057 /nfs/dbraw/zinc/66/90/57/385669057.db2.gz TUIXDAZMOPIOKB-JTQLQIEISA-N 1 0 200.351 1.177 40 0 BDABRO CC1(c2nc(-c3ccncc3)no2)CC[NH2+]CC1 ZINC000062843196 385733786 /nfs/dbraw/zinc/73/37/86/385733786.db2.gz QVSXTFHGBBELID-UHFFFAOYSA-N 1 0 244.298 1.773 40 0 BDABRO Cc1n[nH]cc1-c1cncc([C@@H]2CCC[NH2+]C2)n1 ZINC000257203176 385751951 /nfs/dbraw/zinc/75/19/51/385751951.db2.gz AOYLJBPZVAGRGT-SNVBAGLBSA-N 1 0 243.314 1.642 40 0 BDABRO CC(=O)NCc1ccc([C@H]2CCC[NH2+]2)nc1 ZINC000257198133 385753110 /nfs/dbraw/zinc/75/31/10/385753110.db2.gz UHINQWNUXIAALS-LLVKDONJSA-N 1 0 219.288 1.142 40 0 BDABRO CC(=O)NCc1cc([C@H]2CCC[NH2+]2)ccn1 ZINC000257197933 385753385 /nfs/dbraw/zinc/75/33/85/385753385.db2.gz NRYXORKZFVQINR-GFCCVEGCSA-N 1 0 219.288 1.142 40 0 BDABRO c1ncc(C[C@@H]2CC3(CO2)CC[NH2+]CC3)cn1 ZINC000257223478 385755032 /nfs/dbraw/zinc/75/50/32/385755032.db2.gz DXNOEWKTFAJFNK-GFCCVEGCSA-N 1 0 233.315 1.178 40 0 BDABRO Cn1ccc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)n1 ZINC000257303012 385761058 /nfs/dbraw/zinc/76/10/58/385761058.db2.gz SFKOTNFEHGORJU-SNVBAGLBSA-N 1 0 231.303 1.133 40 0 BDABRO Cc1cc(-c2cncn2C)nc([C@H]2CCC[NH2+]2)n1 ZINC000257307912 385762176 /nfs/dbraw/zinc/76/21/76/385762176.db2.gz TUQJDYASLVVJAP-SNVBAGLBSA-N 1 0 243.314 1.610 40 0 BDABRO Cc1cc(C)nc(NCC[NH2+]Cc2ccco2)n1 ZINC000062717870 385726330 /nfs/dbraw/zinc/72/63/30/385726330.db2.gz PFTHOFRUTQIJFF-UHFFFAOYSA-N 1 0 246.314 1.888 40 0 BDABRO [NH3+]C[C@@H](c1cc(F)ccc1F)N1CCOCC1 ZINC000037233439 385827174 /nfs/dbraw/zinc/82/71/74/385827174.db2.gz JUTUPMHRIVKLDR-LBPRGKRZSA-N 1 0 242.269 1.297 40 0 BDABRO O=C1CC2(C[NH+](Cc3ccccc3)C2)CN1 ZINC000216646647 385869753 /nfs/dbraw/zinc/86/97/53/385869753.db2.gz YLXBEZVUFJTKCX-UHFFFAOYSA-N 1 0 216.284 1.009 40 0 BDABRO Fc1cccc(-c2ncnc3c2CC[NH2+]CC3)c1 ZINC000306142133 385991426 /nfs/dbraw/zinc/99/14/26/385991426.db2.gz WQRYTUNMAGQOBK-UHFFFAOYSA-N 1 0 243.285 1.971 40 0 BDABRO Fc1ccc2c(c1)CCC[C@]21COCC[NH2+]1 ZINC000306145609 385995462 /nfs/dbraw/zinc/99/54/62/385995462.db2.gz KLVYBBMLHHRFGY-ZDUSSCGKSA-N 1 0 221.275 1.977 40 0 BDABRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH3+])CS2 ZINC000306145682 385994410 /nfs/dbraw/zinc/99/44/10/385994410.db2.gz NLXUFFJGHBSUJP-MRVPVSSYSA-N 1 0 244.360 1.440 40 0 BDABRO C[C@@H](CC[NH2+][C@@H]1CCCSC1)[S@](C)=O ZINC000097370925 386081166 /nfs/dbraw/zinc/08/11/66/386081166.db2.gz SFZPLFHIPZQDPK-IMSIIYSGSA-N 1 0 235.418 1.629 40 0 BDABRO CCc1ccc(C[NH2+]C[C@H]2CCCO2)[nH]1 ZINC000226019316 386233564 /nfs/dbraw/zinc/23/35/64/386233564.db2.gz JIKDWZPEDLBDQO-GFCCVEGCSA-N 1 0 208.305 1.846 40 0 BDABRO COC(=O)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC000215438787 386355945 /nfs/dbraw/zinc/35/59/45/386355945.db2.gz AASKKLGNFGJCHU-VXGBXAGGSA-N 1 0 219.284 1.900 40 0 BDABRO [NH3+]Cc1ccc(C[C@@H]2CNC(=O)OC2)s1 ZINC000218692073 386408880 /nfs/dbraw/zinc/40/88/80/386408880.db2.gz MTNYMQARKRPCGG-SSDOTTSWSA-N 1 0 226.301 1.105 40 0 BDABRO CO[C@@H]1Cn2cccc2C[N@@H+](C(C)C)C1 ZINC000248031526 386740997 /nfs/dbraw/zinc/74/09/97/386740997.db2.gz XQZXSUKWUNYVTD-GFCCVEGCSA-N 1 0 208.305 1.727 40 0 BDABRO c1csc(C2=NOC3(CC[NH2+]CC3)N2)c1 ZINC000096517310 387036626 /nfs/dbraw/zinc/03/66/26/387036626.db2.gz DCZJMFATNFFFHC-UHFFFAOYSA-N 1 0 223.301 1.109 40 0 BDABRO C[NH2+][C@H](COC)C(=O)c1ccc(C)cc1 ZINC000575415294 387023361 /nfs/dbraw/zinc/02/33/61/387023361.db2.gz JHGDCSPZKQLBOP-LLVKDONJSA-N 1 0 207.273 1.412 40 0 in-vitro BDABRO c1cncc(N2CCO[C@@H]3CC[NH2+]CC[C@@H]32)c1 ZINC000096249522 387026071 /nfs/dbraw/zinc/02/60/71/387026071.db2.gz TYDTXZWSQPKHJR-QWHCGFSZSA-N 1 0 233.315 1.039 40 0 BDABRO c1ccc(OC[C@H]2C[C@H]3OCC[NH2+][C@H]3C2)nc1 ZINC000096250533 387026321 /nfs/dbraw/zinc/02/63/21/387026321.db2.gz IMNVOPBCAIYZKB-GRYCIOLGSA-N 1 0 234.299 1.227 40 0 BDABRO Cc1c(O)c(=O)ccn1CC[NH+]1CCCCC1 ZINC000049841463 387076830 /nfs/dbraw/zinc/07/68/30/387076830.db2.gz FHWPYLOOLWUSBQ-UHFFFAOYSA-N 1 0 236.315 1.348 40 0 BDABRO Cc1ccnc2[nH]c([C@@H]3CCC[NH2+]C3)nc21 ZINC000071257642 387098028 /nfs/dbraw/zinc/09/80/28/387098028.db2.gz XIDSUJPTTFIYOP-SECBINFHSA-N 1 0 216.288 1.733 40 0 BDABRO CN1CCC[C@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000026459747 387376196 /nfs/dbraw/zinc/37/61/96/387376196.db2.gz DRIGFTUOAYXPIK-UONOGXRCSA-N 1 0 216.328 1.968 40 0 BDABRO O=C1c2ccccc2CN1[C@@H]1CCC[NH2+]C1 ZINC000084232590 387441411 /nfs/dbraw/zinc/44/14/11/387441411.db2.gz ZYCVDGADEULRSM-LLVKDONJSA-N 1 0 216.284 1.394 40 0 BDABRO Cc1nnc([C@H]2CC[N@H+](Cc3ccco3)C2)o1 ZINC000049169199 387420660 /nfs/dbraw/zinc/42/06/60/387420660.db2.gz WZOIPBXAKGOYRT-JTQLQIEISA-N 1 0 233.271 1.961 40 0 biogenic,in-vitro BDABRO CN(C)c1cccc(CN2CC[NH2+]CC2)c1 ZINC000052860964 387499978 /nfs/dbraw/zinc/49/99/78/387499978.db2.gz NMNKNEKUVUSFEK-UHFFFAOYSA-N 1 0 219.332 1.158 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1cccs1 ZINC000242575126 387675042 /nfs/dbraw/zinc/67/50/42/387675042.db2.gz NSVKEPSAPPWVRX-BDAKNGLRSA-N 1 0 225.313 1.566 40 0 BDABRO CC[NH+](CC)CCCNCc1ccn(C)n1 ZINC000112337189 387852337 /nfs/dbraw/zinc/85/23/37/387852337.db2.gz HEVZBYIFAHLGFO-UHFFFAOYSA-N 1 0 224.352 1.242 40 0 BDABRO CCCn1cc(C[NH2+]C[C@H]2CCCO2)cn1 ZINC000116912134 387852441 /nfs/dbraw/zinc/85/24/41/387852441.db2.gz SOVSCVKOYZAKDE-GFCCVEGCSA-N 1 0 223.320 1.562 40 0 BDABRO CCCn1nccc1C[NH2+]C[C@@H]1CCCO1 ZINC000164827351 387853175 /nfs/dbraw/zinc/85/31/75/387853175.db2.gz PKDRQSZUTPBJDQ-LBPRGKRZSA-N 1 0 223.320 1.562 40 0 BDABRO CCCn1nccc1C[NH2+]Cc1cccn1C ZINC000256051693 387858360 /nfs/dbraw/zinc/85/83/60/387858360.db2.gz KEIARYINDAMAKP-UHFFFAOYSA-N 1 0 232.331 1.921 40 0 BDABRO Cc1nn(C(C)C)cc1CNCCC[NH+](C)C ZINC000256050144 387858492 /nfs/dbraw/zinc/85/84/92/387858492.db2.gz CXQAOVWKQRGLCD-UHFFFAOYSA-N 1 0 238.379 1.814 40 0 BDABRO Cc1nn(C(C)C)cc1C[NH2+]Cc1cnn(C)c1 ZINC000256050718 387859456 /nfs/dbraw/zinc/85/94/56/387859456.db2.gz GFTBAJNDEPZVPE-UHFFFAOYSA-N 1 0 247.346 1.796 40 0 BDABRO Cc1nn(C(C)C)cc1C[NH2+]CCCCO ZINC000256052988 387860249 /nfs/dbraw/zinc/86/02/49/387860249.db2.gz POATXBBHGLTBJK-UHFFFAOYSA-N 1 0 225.336 1.635 40 0 BDABRO CC(C)Cn1cc(C[NH2+]Cc2cnn(C)c2)cn1 ZINC000256053256 387860780 /nfs/dbraw/zinc/86/07/80/387860780.db2.gz QSRYSQHYZFMFBG-UHFFFAOYSA-N 1 0 247.346 1.562 40 0 BDABRO CCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000038538721 388405244 /nfs/dbraw/zinc/40/52/44/388405244.db2.gz LZWZFWYFQFLVAX-ZDUSSCGKSA-N 1 0 205.301 1.816 40 0 BDABRO CCS(=O)(=O)[C@H](C[NH3+])C1CCCCC1 ZINC000217769677 388380743 /nfs/dbraw/zinc/38/07/43/388380743.db2.gz JYLRGQBIFGYQLB-SNVBAGLBSA-N 1 0 219.350 1.329 40 0 BDABRO CCC[C@H]1C[C@@H](O)C[N@@H+]1CCOCC ZINC000217877370 388382513 /nfs/dbraw/zinc/38/25/13/388382513.db2.gz GPEHGFXDSBXEBE-WDEREUQCSA-N 1 0 201.310 1.258 40 0 BDABRO CCOCC[N@@H+]1C[C@H](O)C[C@@H]1CC(C)C ZINC000217886439 388383017 /nfs/dbraw/zinc/38/30/17/388383017.db2.gz CKPGDQNLDMXXFP-NWDGAFQWSA-N 1 0 215.337 1.504 40 0 BDABRO CCCC[C@H]1C[C@H](OCCOC)C[NH2+]1 ZINC000217864071 256843932 /nfs/dbraw/zinc/84/39/32/256843932.db2.gz VXEYEVIROCLAAV-QWRGUYRKSA-N 1 0 201.310 1.570 40 0 BDABRO c1cncc(N2CCO[C@@H]3CC[NH2+]CC[C@H]32)c1 ZINC000107255410 388616316 /nfs/dbraw/zinc/61/63/16/388616316.db2.gz TYDTXZWSQPKHJR-CHWSQXEVSA-N 1 0 233.315 1.039 40 0 BDABRO [NH3+][C@H]1CCC[C@H]1NCc1ccc(F)cc1 ZINC000218873643 388585652 /nfs/dbraw/zinc/58/56/52/388585652.db2.gz FBZYASFAIZMFDP-NWDGAFQWSA-N 1 0 208.280 1.795 40 0 BDABRO C[NH2+][C@@H](C)C(=O)c1cc2c(c(OC)c1)OCO2 ZINC000299817217 388618588 /nfs/dbraw/zinc/61/85/88/388618588.db2.gz MPMHRFOOZMFFBD-ZETCQYMHSA-N 1 0 237.255 1.215 40 0 in-vitro BDABRO CCOC[C@H]1C[NH2+]Cc2c1cnn2CC1CC1 ZINC000306142155 388629154 /nfs/dbraw/zinc/62/91/54/388629154.db2.gz WRPPYGQZIIULAY-LLVKDONJSA-N 1 0 235.331 1.516 40 0 BDABRO [NH3+]C[C@@H]1C[C@@H]1CN1CCc2ccccc21 ZINC000110748806 388649994 /nfs/dbraw/zinc/64/99/94/388649994.db2.gz LEMZYZWTWUEHLL-NWDGAFQWSA-N 1 0 202.301 1.644 40 0 BDABRO CN(CC[C@H]1CC[NH2+]C1)C(=O)OC(C)(C)C ZINC000199826004 388654701 /nfs/dbraw/zinc/65/47/01/388654701.db2.gz ZOIYJRFJBWHNPE-SNVBAGLBSA-N 1 0 228.336 1.853 40 0 BDABRO CN(CC[C@@H]1CCC[NH2+]1)C(=O)OC(C)(C)C ZINC000199825915 388654942 /nfs/dbraw/zinc/65/49/42/388654942.db2.gz QNINVVQVKZJBLQ-JTQLQIEISA-N 1 0 228.336 1.995 40 0 BDABRO CSCC[C@@H]([NH3+])C(=O)N1CCCCCC1 ZINC000062725428 388655762 /nfs/dbraw/zinc/65/57/62/388655762.db2.gz UTJVLMZRCMMAHI-SNVBAGLBSA-N 1 0 230.377 1.469 40 0 BDABRO [NH3+][C@@H]1CCCN(C(=O)c2cccnc2Cl)C1 ZINC000079438687 388696186 /nfs/dbraw/zinc/69/61/86/388696186.db2.gz RBECGOTVFUMNHI-MRVPVSSYSA-N 1 0 239.706 1.298 40 0 BDABRO Cc1ccc(OC[C@@H]2C[NH2+]CCO2)cc1 ZINC000011587389 388708047 /nfs/dbraw/zinc/70/80/47/388708047.db2.gz CBTFVMDQMXEZAE-LBPRGKRZSA-N 1 0 207.273 1.362 40 0 BDABRO [NH3+][C@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1 ZINC000328579465 132244145 /nfs/dbraw/zinc/24/41/45/132244145.db2.gz JVCFEKNNJLKQIA-ZETCQYMHSA-N 1 0 246.236 1.423 40 0 BDABRO C[NH+]1CCN(c2ccccc2-n2cnnc2)CC1 ZINC000057328241 132301075 /nfs/dbraw/zinc/30/10/75/132301075.db2.gz ICWDEBLWPKYRIW-UHFFFAOYSA-N 1 0 243.314 1.019 40 0 BDABRO Cc1cc2c(ncnc2N2CC[NH2+]CC2)s1 ZINC000019951892 132329127 /nfs/dbraw/zinc/32/91/27/132329127.db2.gz NUAYYCIHEUYVIF-UHFFFAOYSA-N 1 0 234.328 1.409 40 0 BDABRO [NH3+]CC1CCN(c2ncnc3[nH]ccc32)CC1 ZINC000029050937 132334395 /nfs/dbraw/zinc/33/43/95/132334395.db2.gz QCXQFRHFMCBJBN-UHFFFAOYSA-N 1 0 231.303 1.133 40 0 BDABRO [NH3+]C1CCN(c2cnc3ccccc3n2)CC1 ZINC000044029864 132353741 /nfs/dbraw/zinc/35/37/41/132353741.db2.gz HEVYFAFELWIWMT-UHFFFAOYSA-N 1 0 228.299 1.557 40 0 BDABRO C[N@@H+]1CCC[C@H]1c1cccc(N2CCOCC2)n1 ZINC000072386615 132397207 /nfs/dbraw/zinc/39/72/07/132397207.db2.gz YXYKJCGTTODPQW-ZDUSSCGKSA-N 1 0 247.342 1.685 40 0 BDABRO C[C@@H]1Cc2nc(Br)sc2C[NH2+]1 ZINC000265540550 135145159 /nfs/dbraw/zinc/14/51/59/135145159.db2.gz DTIKEBYHANMUCT-SCSAIBSYSA-N 1 0 233.134 1.940 40 0 BDABRO O=C(Nc1cccc(O)c1)[C@@H]1CCCCC[NH2+]1 ZINC000080998207 135385566 /nfs/dbraw/zinc/38/55/66/135385566.db2.gz WMRIJAGHIALTKF-LBPRGKRZSA-N 1 0 234.299 1.863 40 0 BDABRO CC(=O)O[C@H]1C[N@H+](C)CC=C1c1ccccc1 ZINC000001585515 397917848 /nfs/dbraw/zinc/91/78/48/397917848.db2.gz MIOQWSQOMBWYPJ-AWEZNQCLSA-N 1 0 231.295 1.947 40 0 BDABRO CC[C@@H](C)n1nccc1CNCCC[NH+](C)C ZINC000256049550 398040826 /nfs/dbraw/zinc/04/08/26/398040826.db2.gz AKHJHOUKXQTUJS-GFCCVEGCSA-N 1 0 238.379 1.895 40 0 BDABRO Cn1nc(C(F)(F)F)c2c1C[NH2+]CC2 ZINC000039105401 398075162 /nfs/dbraw/zinc/07/51/62/398075162.db2.gz MOQGQGWZDSFFJM-UHFFFAOYSA-N 1 0 205.183 1.085 40 0 BDABRO CC(C)NC(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000096157175 167069763 /nfs/dbraw/zinc/06/97/63/167069763.db2.gz UIOARNAHHXQWKV-ZDUSSCGKSA-N 1 0 239.363 1.570 40 0 BDABRO C[NH+](C)[C@H](CO)c1ccc(F)c(F)c1 ZINC000070453247 322905048 /nfs/dbraw/zinc/90/50/48/322905048.db2.gz JFOGNXVZIDYXIH-SNVBAGLBSA-N 1 0 201.216 1.560 40 0 BDABRO CC(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096083683 166789557 /nfs/dbraw/zinc/78/95/57/166789557.db2.gz MMBJQLAIUZCIDQ-NEPJUHHUSA-N 1 0 224.348 1.776 40 0 BDABRO CC(C)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000067800914 167025040 /nfs/dbraw/zinc/02/50/40/167025040.db2.gz ZAKSXYZRRWKMGM-JTQLQIEISA-N 1 0 228.336 1.994 40 0 BDABRO CC(C)[NH2+]C[C@H](O)COc1cccc2c1C=CC2 ZINC000001842844 167115079 /nfs/dbraw/zinc/11/50/79/167115079.db2.gz MPGBPFMOOXKQRX-ZDUSSCGKSA-N 1 0 247.338 1.994 40 0 in-man BDABRO CC(C)OCCCNC(=O)C1CC[NH+](C)CC1 ZINC000096624950 167217973 /nfs/dbraw/zinc/21/79/73/167217973.db2.gz UBJQLXRNBMFPCJ-UHFFFAOYSA-N 1 0 242.363 1.260 40 0 BDABRO CC(C)OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000026466105 167269174 /nfs/dbraw/zinc/26/91/74/167269174.db2.gz UNQYRDSDDCNSAO-FRRDWIJNSA-N 1 0 229.364 1.750 40 0 BDABRO CCOc1cccc2c1NC[C@H](C[NH3+])[C@H]2O ZINC000217538189 411182034 /nfs/dbraw/zinc/18/20/34/411182034.db2.gz XRPXBHTXPHARQS-QPUJVOFHSA-N 1 0 222.288 1.119 40 0 BDABRO CC1=CC[C@H]2C[N@@H+](CCN(C)C)C[C@@H]2C1 ZINC000022580376 168121866 /nfs/dbraw/zinc/12/18/66/168121866.db2.gz WVYNZNQOWJKLQW-STQMWFEESA-N 1 0 208.349 1.836 40 0 BDABRO CCNc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328984143 170041355 /nfs/dbraw/zinc/04/13/55/170041355.db2.gz HMCPPXUKTPNFEX-UHFFFAOYSA-N 1 0 218.304 1.204 40 0 BDABRO CC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000048326685 170130871 /nfs/dbraw/zinc/13/08/71/170130871.db2.gz JBHZGGGQAXBTRD-UHFFFAOYSA-N 1 0 206.293 1.186 40 0 BDABRO CCOCCC[NH2+]Cc1c(C)nn(C)c1F ZINC000256053735 170380494 /nfs/dbraw/zinc/38/04/94/170380494.db2.gz SPTFMQJIHXNVIW-UHFFFAOYSA-N 1 0 229.299 1.384 40 0 BDABRO CCOCCO[C@@H]1C[NH2+][C@@H](C(C)C)C1 ZINC000217862412 170420946 /nfs/dbraw/zinc/42/09/46/170420946.db2.gz YDWZNYYNSUAFFI-WDEREUQCSA-N 1 0 201.310 1.426 40 0 BDABRO CCOc1cccc(NC(=O)CC[NH3+])c1 ZINC000008732987 170580961 /nfs/dbraw/zinc/58/09/61/170580961.db2.gz RPELYPWHUYEVTE-UHFFFAOYSA-N 1 0 208.261 1.373 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1cccc(F)c1 ZINC000096524835 170621462 /nfs/dbraw/zinc/62/14/62/170621462.db2.gz YVPJRVCTYOFYEN-KWQFWETISA-N 1 0 245.319 1.649 40 0 BDABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]1C[NH3+] ZINC000218026405 170623051 /nfs/dbraw/zinc/62/30/51/170623051.db2.gz MAIWNDTZASVJOM-WOPDTQHZSA-N 1 0 239.340 1.162 40 0 BDABRO CCC[NH+](CCC)Cc1cc(N)nn1CC ZINC000408715920 411909265 /nfs/dbraw/zinc/90/92/65/411909265.db2.gz GTMDSENDOPCUMG-UHFFFAOYSA-N 1 0 224.352 2.107 40 0 BDABRO CCC[NH+](CCC)Cc1cc(N)nn1C ZINC000408717136 411909953 /nfs/dbraw/zinc/90/99/53/411909953.db2.gz WDVZGHWHCJMNLL-UHFFFAOYSA-N 1 0 210.325 1.624 40 0 BDABRO CC[C@@H]([C@H]([NH3+])C(C)(C)C)S(C)(=O)=O ZINC000096524915 170951005 /nfs/dbraw/zinc/95/10/05/170951005.db2.gz ZFNBSYOTISBHDD-YUMQZZPRSA-N 1 0 207.339 1.183 40 0 BDABRO CC[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[NH2+]1 ZINC000091301243 171067393 /nfs/dbraw/zinc/06/73/93/171067393.db2.gz YZHZLLZTMYDRLG-VHSXEESVSA-N 1 0 228.336 1.994 40 0 BDABRO CCn1cc(-c2cc(C[NH3+])no2)c(C)n1 ZINC000026545434 172148430 /nfs/dbraw/zinc/14/84/30/172148430.db2.gz CFSDPGILWHMDTO-UHFFFAOYSA-N 1 0 206.249 1.325 40 0 BDABRO CCn1cc(CNCCC[NH+](C)C)c(C)n1 ZINC000256054810 172169926 /nfs/dbraw/zinc/16/99/26/172169926.db2.gz XWWQOTOUGMLCEO-UHFFFAOYSA-N 1 0 224.352 1.253 40 0 BDABRO CCn1cc([C@H](O)C[NH2+]C)c2ccccc21 ZINC000002037396 172198791 /nfs/dbraw/zinc/19/87/91/172198791.db2.gz VVSPHTVFNGUXSK-CYBMUJFWSA-N 1 0 218.300 1.914 40 0 BDABRO CCn1cccc1-c1noc(CC[NH3+])n1 ZINC000328579590 172203888 /nfs/dbraw/zinc/20/38/88/172203888.db2.gz QFGWXJVMOOJMDO-UHFFFAOYSA-N 1 0 206.249 1.059 40 0 BDABRO CCn1nc(C)c(C[NH2+]CCCCO)c1F ZINC000256051703 172246350 /nfs/dbraw/zinc/24/63/50/172246350.db2.gz KFUPQGVJSGLZBT-UHFFFAOYSA-N 1 0 229.299 1.213 40 0 BDABRO CCn1nccc1-c1csc(C[NH3+])n1 ZINC000096528240 172256381 /nfs/dbraw/zinc/25/63/81/172256381.db2.gz NJUJZSQMSKGQDZ-UHFFFAOYSA-N 1 0 208.290 1.485 40 0 BDABRO CN(C(=O)[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000067803700 172333742 /nfs/dbraw/zinc/33/37/42/172333742.db2.gz DYCCGNGFIHFNHF-SNVBAGLBSA-N 1 0 222.263 1.541 40 0 BDABRO CN([NH2+]C1=CC(=O)NCC1)c1ccccc1 ZINC000021992981 172940230 /nfs/dbraw/zinc/94/02/30/172940230.db2.gz AHRRHWGQOOPSSZ-UHFFFAOYSA-N 1 0 217.272 1.031 40 0 BDABRO C[N@@H+]1CCCC[C@@]12CCN(C(=O)c1ccco1)C2 ZINC000096203128 173006451 /nfs/dbraw/zinc/00/64/51/173006451.db2.gz QQALKFDNJNHNIE-AWEZNQCLSA-N 1 0 248.326 1.980 40 0 BDABRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096071567 173038751 /nfs/dbraw/zinc/03/87/51/173038751.db2.gz NMFWIHPLHLUGLM-OAHLLOKOSA-N 1 0 245.370 1.999 40 0 BDABRO C[N@@H+]1CC[C@@H](c2[nH]nc3ncccc32)C1 ZINC000257325673 173128465 /nfs/dbraw/zinc/12/84/65/173128465.db2.gz WTYKKUDZSCNUPW-MRVPVSSYSA-N 1 0 202.261 1.377 40 0 BDABRO C[N@@H+]1CC[C@H](c2nnc(-c3ccco3)o2)C1 ZINC000049169488 173157363 /nfs/dbraw/zinc/15/73/63/173157363.db2.gz AXBQBHGSMGYJBU-QMMMGPOBSA-N 1 0 219.244 1.749 40 0 biogenic,in-vitro BDABRO CN1C[C@H](c2ccccc2)C2(CC[NH2+]CC2)C1=O ZINC000044137221 173195760 /nfs/dbraw/zinc/19/57/60/173195760.db2.gz XTFHTONEBIPPKW-CYBMUJFWSA-N 1 0 244.338 1.612 40 0 BDABRO CN1c2ccc(F)cc2[C@@H]2C[NH2+]CC[C@@H]21 ZINC000082319264 173208350 /nfs/dbraw/zinc/20/83/50/173208350.db2.gz UWEQUPNHIPSMET-JQWIXIFHSA-N 1 0 206.264 1.721 40 0 BDABRO CNC(=O)N[C@@H]1c2cccc(F)c2[C@@H]2C[NH2+]C[C@@H]21 ZINC000096261711 173291950 /nfs/dbraw/zinc/29/19/50/173291950.db2.gz AAJHTRIPFYLWCD-VDDIYKPWSA-N 1 0 249.289 1.112 40 0 BDABRO C[NH2+]Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000034797766 173388340 /nfs/dbraw/zinc/38/83/40/173388340.db2.gz GABCUZWVZZAZMO-UHFFFAOYSA-N 1 0 218.256 1.256 40 0 BDABRO C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000019776790 173388637 /nfs/dbraw/zinc/38/86/37/173388637.db2.gz FJJDEUFIQDNFST-UHFFFAOYSA-N 1 0 216.078 1.874 40 0 BDABRO C[NH2+]Cc1nnc2ccc(-c3ccccc3)nn21 ZINC000096530160 173398766 /nfs/dbraw/zinc/39/87/66/173398766.db2.gz MLOTXEOPUJRRIC-UHFFFAOYSA-N 1 0 239.282 1.511 40 0 BDABRO COc1cc2c(cc1OC)[C@@H](C[NH3+])OCC2 ZINC000002535397 175025397 /nfs/dbraw/zinc/02/53/97/175025397.db2.gz DBUACXMTTVEUAH-GFCCVEGCSA-N 1 0 223.272 1.276 40 0 BDABRO COc1ccc(OC)c([C@H]2C[C@@H]2C[NH3+])c1 ZINC000041215835 175169558 /nfs/dbraw/zinc/16/95/58/175169558.db2.gz VDXXDEUJMOZAFE-SCZZXKLOSA-N 1 0 207.273 1.766 40 0 BDABRO COc1cccc(-c2c[nH+]c(N)n2C)c1 ZINC000039320390 175235596 /nfs/dbraw/zinc/23/55/96/175235596.db2.gz NSISUQPFZGJCHV-UHFFFAOYSA-N 1 0 203.245 1.678 40 0 BDABRO COc1cccc(-c2nc(C[NH3+])co2)c1 ZINC000057492222 175236030 /nfs/dbraw/zinc/23/60/30/175236030.db2.gz VTOCLFFVCLIXPZ-UHFFFAOYSA-N 1 0 204.229 1.809 40 0 BDABRO COc1cccc(-n2cccc2C[NH3+])c1 ZINC000082639126 175239015 /nfs/dbraw/zinc/23/90/15/175239015.db2.gz QSPZPQYNMTXBRP-UHFFFAOYSA-N 1 0 202.257 1.945 40 0 BDABRO COc1cccc([C@@H]2C[C@@]2(C[NH3+])CO)c1 ZINC000062713374 175290737 /nfs/dbraw/zinc/29/07/37/175290737.db2.gz FUPQJSRJAKHGSY-NWDGAFQWSA-N 1 0 207.273 1.120 40 0 BDABRO COc1ccccc1C1=NOC2(CC[NH2+]CC2)N1 ZINC000096517308 175320755 /nfs/dbraw/zinc/32/07/55/175320755.db2.gz BTFAGNDQOMJUHS-UHFFFAOYSA-N 1 0 247.298 1.056 40 0 BDABRO COc1ccccc1C[N@H+](CCO)C1CC1 ZINC000050104018 175326566 /nfs/dbraw/zinc/32/65/66/175326566.db2.gz ZNVJPAPWWIDAMZ-UHFFFAOYSA-N 1 0 221.300 1.652 40 0 BDABRO C[C@@H]([C@H]([NH3+])c1ccc(Cl)cc1)S(C)(=O)=O ZINC000075418380 176011771 /nfs/dbraw/zinc/01/17/71/176011771.db2.gz PLCMMWZDOGFYIG-XVKPBYJWSA-N 1 0 247.747 1.773 40 0 BDABRO C[C@@H]([C@H]([NH3+])c1cccc(Cl)c1)S(C)(=O)=O ZINC000096524767 176011831 /nfs/dbraw/zinc/01/18/31/176011831.db2.gz PXXNSOTWTKWDKJ-XVKPBYJWSA-N 1 0 247.747 1.773 40 0 BDABRO C[C@@H]1CN(C(=O)Cc2ccccc2)CC[NH2+]1 ZINC000062608753 176249036 /nfs/dbraw/zinc/24/90/36/176249036.db2.gz VZSMILLAQBMCHD-LLVKDONJSA-N 1 0 218.300 1.049 40 0 BDABRO C[C@@H]1CN(Cc2ccc(Cl)nc2)CC[NH2+]1 ZINC000072203496 176302879 /nfs/dbraw/zinc/30/28/79/176302879.db2.gz DLCAHJZDDIAUSV-SECBINFHSA-N 1 0 225.723 1.529 40 0 BDABRO C[C@@H]1C[NH2+]CCN1Cc1ccccc1F ZINC000041217533 176327918 /nfs/dbraw/zinc/32/79/18/176327918.db2.gz RKYOOCCUGSVQCL-SNVBAGLBSA-N 1 0 208.280 1.619 40 0 BDABRO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1ccccc1 ZINC000001750993 176328460 /nfs/dbraw/zinc/32/84/60/176328460.db2.gz XAAAKCZAALLCJD-GHMZBOCLSA-N 1 0 218.300 1.509 40 0 BDABRO C[C@@H]1C[C@@H]([NH3+])c2ccccc2S1(=O)=O ZINC000035752099 176372104 /nfs/dbraw/zinc/37/21/04/176372104.db2.gz ZGKBUKWATUFQGG-VXNVDRBHSA-N 1 0 211.286 1.252 40 0 BDABRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CO)CC(C)(C)C1 ZINC000004803906 176376957 /nfs/dbraw/zinc/37/69/57/176376957.db2.gz IMTMQBHEIQEOEX-MXWKQRLJSA-N 1 0 215.337 1.144 40 0 BDABRO C[C@H](c1cnccn1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000070026323 177051771 /nfs/dbraw/zinc/05/17/71/177051771.db2.gz LLZIMHNFJBPJTN-GHMZBOCLSA-N 1 0 220.320 1.221 40 0 BDABRO C[C@H]1CC(C)(C)[NH2+][C@@H]([C@@H]2CCC=CO2)N1 ZINC000019325709 177064182 /nfs/dbraw/zinc/06/41/82/177064182.db2.gz HDKKTOGRZBBVBD-DCAQKATOSA-N 1 0 210.321 1.755 40 0 BDABRO C[C@H]1CCCCN1C(=O)C[C@H]1CCCC[NH2+]1 ZINC000020597456 177072292 /nfs/dbraw/zinc/07/22/92/177072292.db2.gz YDGAUSYYGSGDDL-NWDGAFQWSA-N 1 0 224.348 1.920 40 0 BDABRO C[C@H]1CCC[N@H+](CCCNC(=O)C2CC2)C1 ZINC000046959890 177098136 /nfs/dbraw/zinc/09/81/36/177098136.db2.gz QSVFFOOYCNDUJD-NSHDSACASA-N 1 0 224.348 1.635 40 0 BDABRO C[C@H]1C[NH2+]CC2(COC2)N1Cc1ccccc1 ZINC000306145863 177281822 /nfs/dbraw/zinc/28/18/22/177281822.db2.gz TZRQEWBOKJPISB-LBPRGKRZSA-N 1 0 232.327 1.249 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(Cl)c1 ZINC000054370287 177283879 /nfs/dbraw/zinc/28/38/79/177283879.db2.gz ACCDBDANTWPPJX-VIFPVBQESA-N 1 0 238.718 1.774 40 0 BDABRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1C ZINC000115448325 323076963 /nfs/dbraw/zinc/07/69/63/323076963.db2.gz XKLDSRDAJRHFIY-AOOOYVTPSA-N 1 0 228.336 1.946 40 0 BDABRO CC(C)CN1C(=O)C[C@@H]([NH3+])[C@@H]1c1cccnc1 ZINC000062209890 323090825 /nfs/dbraw/zinc/09/08/25/323090825.db2.gz MZVMWXNKEYQFOP-YPMHNXCESA-N 1 0 233.315 1.338 40 0 BDABRO CC(=O)N(C(C)C)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000242390148 519437902 /nfs/dbraw/zinc/43/79/02/519437902.db2.gz AASKZLBOPMBDTO-JOCQHMNTSA-N 1 0 242.363 1.136 40 0 BDABRO CC(=O)N[C@H]1CC[C@H]([N@@H+](CCN)C(C)C)CC1 ZINC000242495391 519701266 /nfs/dbraw/zinc/70/12/66/519701266.db2.gz GDNVSMPNPIXIRI-JOCQHMNTSA-N 1 0 241.379 1.103 40 0 BDABRO C[NH+]1CCC(CC(=O)NCc2ccccn2)CC1 ZINC000074920921 523754536 /nfs/dbraw/zinc/75/45/36/523754536.db2.gz GNRPGRBXANQZOA-UHFFFAOYSA-N 1 0 247.342 1.430 40 0 BDABRO C[C@H]1[C@H]([NH3+])C(=O)N1c1cccc2ccccc21 ZINC000225776886 525105272 /nfs/dbraw/zinc/10/52/72/525105272.db2.gz WMWHRXOHXCNIMQ-ZANVPECISA-N 1 0 226.279 1.902 40 0 BDABRO [NH2+]=c1ccn(CC(=O)Nc2ccccc2)cc1 ZINC000169691230 526842653 /nfs/dbraw/zinc/84/26/53/526842653.db2.gz SPUXGGFZWQIQDR-UHFFFAOYSA-N 1 0 227.267 1.606 40 0 BDABRO [NH3+][C@@]12C[C@@H]1CN(Cc1cccc(Cl)c1)C2 ZINC000253614462 527379337 /nfs/dbraw/zinc/37/93/37/527379337.db2.gz VSOGENVWTLGJDG-ZYHUDNBSSA-N 1 0 222.719 1.873 40 0 BDABRO O=C(NC1CCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000069792364 527502543 /nfs/dbraw/zinc/50/25/43/527502543.db2.gz AMTSJEDQZROCGZ-SNVBAGLBSA-N 1 0 208.305 1.045 40 0 BDABRO CCCN1c2ccccc2C[C@@]2(CC[NH2+]C2)C1=O ZINC000096157384 535003511 /nfs/dbraw/zinc/00/35/11/535003511.db2.gz UTASCLKGZRQECC-OAHLLOKOSA-N 1 0 244.338 1.965 40 0 BDABRO [NH3+]CCC1CCc2ccc3c(c21)CCO3 ZINC001560407589 991467630 /nfs/dbraw/zinc/46/76/30/991467630.db2.gz FJCKAHXGAZOEFS-UHFFFAOYSA-N 1 0 202.277 1.839 40 0 BDABRO Cc1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000016291904 178388096 /nfs/dbraw/zinc/38/80/96/178388096.db2.gz QLMBTIUGMLKLPH-UHFFFAOYSA-N 1 0 232.327 1.773 40 0 BDABRO C[C@H](CC(=O)Nc1ccccc1)[C@H](C)[NH3+] ZINC000072208165 259315127 /nfs/dbraw/zinc/31/51/27/259315127.db2.gz XBDKHTVRZFOLSN-ZJUUUORDSA-N 1 0 206.289 1.999 40 0 BDABRO CCCn1nc(C)c([C@@H](C)OCC[NH3+])c1C ZINC000072219919 259319115 /nfs/dbraw/zinc/31/91/15/259319115.db2.gz YQZZNSPKIGYWNH-LLVKDONJSA-N 1 0 225.336 1.946 40 0 BDABRO Cn1c2ccccc2nc1N1CCC[C@@H]([NH3+])C1 ZINC000043220327 342790899 /nfs/dbraw/zinc/79/08/99/342790899.db2.gz BCLHKEHYRYFDLN-SNVBAGLBSA-N 1 0 230.315 1.501 40 0 BDABRO CCN(CC)c1ccc(C[NH2+]C)c(C)n1 ZINC000072224315 259321664 /nfs/dbraw/zinc/32/16/64/259321664.db2.gz BUDWMTXEEMONRX-UHFFFAOYSA-N 1 0 207.321 1.956 40 0 BDABRO CCc1c(C[NH3+])nnn1Cc1cccc(F)c1 ZINC000062317604 398301229 /nfs/dbraw/zinc/30/12/29/398301229.db2.gz PCYUCVACYHIZPU-UHFFFAOYSA-N 1 0 234.278 1.487 40 0 BDABRO Cc1c(C[NH2+]C2CC2)cnn1CC(F)F ZINC000012396816 342851243 /nfs/dbraw/zinc/85/12/43/342851243.db2.gz LHHPTVFGEPHAEM-UHFFFAOYSA-N 1 0 215.247 1.709 40 0 BDABRO Nc1nc(N)c(NC2CCCCC2)c[nH+]1 ZINC000013284857 342865335 /nfs/dbraw/zinc/86/53/35/342865335.db2.gz DSHKHUUHKDQQDU-UHFFFAOYSA-N 1 0 207.281 1.386 40 0 BDABRO CN(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1c1cccc(N)c1 ZINC000242463421 398314291 /nfs/dbraw/zinc/31/42/91/398314291.db2.gz DANXGDIJIYQMCE-STQMWFEESA-N 1 0 247.342 1.002 40 0 BDABRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc2c(c1)OCO2 ZINC000218854999 398328879 /nfs/dbraw/zinc/32/88/79/398328879.db2.gz BVKHEYIEIBVHII-VXGBXAGGSA-N 1 0 248.326 1.775 40 0 BDABRO c1coc(CN2CC[NH2+][C@@H]3CCC[C@H]32)c1 ZINC000218839773 398328947 /nfs/dbraw/zinc/32/89/47/398328947.db2.gz MTDIBQMZBJQULT-VXGBXAGGSA-N 1 0 206.289 1.606 40 0 BDABRO C[C@@H]1[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000238399028 398338906 /nfs/dbraw/zinc/33/89/06/398338906.db2.gz QYYZYCFTSSDRPU-CIUDSAMLSA-N 1 0 212.293 1.214 40 0 BDABRO [NH3+][C@H](Cc1ccccc1)C(=O)C(F)(F)F ZINC000020285469 342980558 /nfs/dbraw/zinc/98/05/58/342980558.db2.gz ZNXJGEZIJAPSKJ-MRVPVSSYSA-N 1 0 217.190 1.688 40 0 BDABRO COC(=O)[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000035133351 343285797 /nfs/dbraw/zinc/28/57/97/343285797.db2.gz BKFQOFXANZLMRR-HBNTYKKESA-N 1 0 213.321 1.964 40 0 BDABRO C[N@H+](CCO)Cc1ccc(Br)cc1 ZINC000042221839 343321012 /nfs/dbraw/zinc/32/10/12/343321012.db2.gz OSIRCHZCVHFGGI-UHFFFAOYSA-N 1 0 244.132 1.873 40 0 BDABRO COC(=O)C[C@@H](C)[NH2+]Cc1cccnc1 ZINC000035748687 343304067 /nfs/dbraw/zinc/30/40/67/343304067.db2.gz QEDOCTQYQYECEV-SECBINFHSA-N 1 0 208.261 1.123 40 0 BDABRO Cc1ccsc1CN(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000037805423 343313183 /nfs/dbraw/zinc/31/31/83/343313183.db2.gz MDQMVKQJBBEHOC-NSHDSACASA-N 1 0 240.372 1.998 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccncc1)C1CC1 ZINC000037803397 343313224 /nfs/dbraw/zinc/31/32/24/343313224.db2.gz PTNRMMABYPTYNB-ZDUSSCGKSA-N 1 0 247.342 1.556 40 0 BDABRO [NH3+][C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000044463792 343501796 /nfs/dbraw/zinc/50/17/96/343501796.db2.gz UKNGRZBFRVEPGN-VIFPVBQESA-N 1 0 219.206 1.568 40 0 BDABRO Clc1ncnc2[nH]c([C@H]3CCC[NH2+]C3)nc21 ZINC000096311443 343667213 /nfs/dbraw/zinc/66/72/13/343667213.db2.gz DEXFTKVTKRUMMW-LURJTMIESA-N 1 0 237.694 1.473 40 0 BDABRO CCN(Cc1cnn(CC)c1)C[C@@H](C)[NH3+] ZINC000096523906 343758523 /nfs/dbraw/zinc/75/85/23/343758523.db2.gz VNGKLGDIDAPYEV-SNVBAGLBSA-N 1 0 210.325 1.072 40 0 BDABRO CC[C@@H]([C@@H]([NH3+])c1ccc(C)cc1)S(C)(=O)=O ZINC000096524885 343759048 /nfs/dbraw/zinc/75/90/48/343759048.db2.gz UMDNLKUZIWUFBZ-RYUDHWBXSA-N 1 0 241.356 1.818 40 0 BDABRO CC[C@@H]([C@@H]([NH3+])c1cccc(F)c1)S(C)(=O)=O ZINC000096524897 343759068 /nfs/dbraw/zinc/75/90/68/343759068.db2.gz RUEODEQCTMMNTB-QWRGUYRKSA-N 1 0 245.319 1.649 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000229205882 343793837 /nfs/dbraw/zinc/79/38/37/343793837.db2.gz OTUWIMKVPNIHSG-WDEREUQCSA-N 1 0 211.305 1.575 40 0 BDABRO OC[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)s1 ZINC000307177186 343797298 /nfs/dbraw/zinc/79/72/98/343797298.db2.gz WGPPWTVZVBYNCR-NKWVEPMBSA-N 1 0 217.721 1.697 40 0 BDABRO Cc1ccc([C@H]2C[NH2+]C[C@@H]2CO)c(Cl)c1 ZINC000409423326 343815233 /nfs/dbraw/zinc/81/52/33/343815233.db2.gz PVACWABOXZEMMN-KOLCDFICSA-N 1 0 225.719 1.944 40 0 BDABRO CO[C@H]1C[NH2+]CC[C@@H]1Cc1ccc(F)cc1 ZINC000221730040 346982711 /nfs/dbraw/zinc/98/27/11/346982711.db2.gz NJCACKROFASBLF-YPMHNXCESA-N 1 0 223.291 1.993 40 0 BDABRO CCOc1ccccc1[C@H]1C[NH2+]C[C@@H]1CO ZINC000396971375 343810923 /nfs/dbraw/zinc/81/09/23/343810923.db2.gz KDXIMIHSZYAWDX-PWSUYJOCSA-N 1 0 221.300 1.381 40 0 BDABRO [NH3+]CCCc1cnn(C[C@@H]2CCCOC2)c1 ZINC000575623448 343876096 /nfs/dbraw/zinc/87/60/96/343876096.db2.gz RXVYTHPAKYPNQZ-LBPRGKRZSA-N 1 0 223.320 1.201 40 0 BDABRO COC(=O)[C@@H](C[NH3+])c1c[nH]c2ccccc21 ZINC000021990074 344079508 /nfs/dbraw/zinc/07/95/08/344079508.db2.gz SXWBIFYGTMDPFI-VIFPVBQESA-N 1 0 218.256 1.383 40 0 BDABRO Cc1cccc(Cl)c1-n1cc(C[NH3+])nn1 ZINC000585143456 344178680 /nfs/dbraw/zinc/17/86/80/344178680.db2.gz OUQHWUZYBWLICD-UHFFFAOYSA-N 1 0 222.679 1.688 40 0 BDABRO [NH3+]C[C@@H]1CCCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000087798450 344236508 /nfs/dbraw/zinc/23/65/08/344236508.db2.gz LBFLLMHRAQRWRD-ZETCQYMHSA-N 1 0 242.710 1.011 40 0 BDABRO Cn1ccnc1-c1cncc([C@H]2CCC[N@@H+]2C)n1 ZINC000585178857 344276243 /nfs/dbraw/zinc/27/62/43/344276243.db2.gz SLMPYXHXCIFSFW-GFCCVEGCSA-N 1 0 243.314 1.644 40 0 BDABRO C[C@@H]([NH3+])[C@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C ZINC000216346217 345585213 /nfs/dbraw/zinc/58/52/13/345585213.db2.gz CABIRYRCSXLJTD-IWSPIJDZSA-N 1 0 232.299 1.681 40 0 BDABRO C[C@@]1(O)CC[NH2+]C[C@@H]1N1CCc2ccccc2C1 ZINC000306046593 537909422 /nfs/dbraw/zinc/90/94/22/537909422.db2.gz TVUPGFUXRDARBK-LSDHHAIUSA-N 1 0 246.354 1.158 40 0 BDABRO OC1(COc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000087969843 345940197 /nfs/dbraw/zinc/94/01/97/345940197.db2.gz VQQZTXCZNZEDST-UHFFFAOYSA-N 1 0 241.718 1.833 40 0 BDABRO Cc1cccc(CN2CC[C@@H]([NH3+])C2)c1F ZINC000038538804 179078898 /nfs/dbraw/zinc/07/88/98/179078898.db2.gz HGKXEGLCRQERCA-LLVKDONJSA-N 1 0 208.280 1.667 40 0 BDABRO Cc1cccc(CN2CCC[C@@]23CC[NH2+]C3)n1 ZINC000096203070 179076395 /nfs/dbraw/zinc/07/63/95/179076395.db2.gz WDRUGEPHEHOHDB-AWEZNQCLSA-N 1 0 231.343 1.718 40 0 BDABRO Cc1cccc(C[N@@H+]2CC[C@H](O)C2)c1C ZINC000038538734 179082487 /nfs/dbraw/zinc/08/24/87/179082487.db2.gz DOQXDHDTWQRJCI-ZDUSSCGKSA-N 1 0 205.301 1.870 40 0 BDABRO Cc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]32)c1 ZINC000107205311 179082562 /nfs/dbraw/zinc/08/25/62/179082562.db2.gz WHIREDCXKRHTAY-UONOGXRCSA-N 1 0 244.338 1.848 40 0 BDABRO Cc1cccc(N(C)C(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000049989249 179111924 /nfs/dbraw/zinc/11/19/24/179111924.db2.gz PNJJTGJUJKGJDD-LBPRGKRZSA-N 1 0 218.300 1.710 40 0 BDABRO Cc1ncc(CO)c(C[NH2+]CC(C)C)c1O ZINC000163814101 346578431 /nfs/dbraw/zinc/57/84/31/346578431.db2.gz DXTHPVTWOSIBQD-UHFFFAOYSA-N 1 0 224.304 1.334 40 0 BDABRO Cc1cccc(NC[C@H](CO)[C@H]2CCOC2)[nH+]1 ZINC000281062030 179148729 /nfs/dbraw/zinc/14/87/29/179148729.db2.gz SZFIPFLPCVOFIV-NWDGAFQWSA-N 1 0 236.315 1.447 40 0 BDABRO Cc1cccc(N[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC000106980411 179154867 /nfs/dbraw/zinc/15/48/67/179154867.db2.gz NEWIHMPRBHSVJE-KBPBESRZSA-N 1 0 232.327 1.928 40 0 BDABRO Cc1cccc(OCC2=[NH+]CCN2)c1C ZINC000001688476 179165177 /nfs/dbraw/zinc/16/51/77/179165177.db2.gz WAAAGQHQBWTGTM-UHFFFAOYSA-N 1 0 204.273 1.684 40 0 BDABRO C[N@@H+]1CC[C@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000074204493 347252434 /nfs/dbraw/zinc/25/24/34/347252434.db2.gz DPPPALZSPFEMNV-OLZOCXBDSA-N 1 0 204.317 1.508 40 0 BDABRO c1cc(-c2cncc(C[C@@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000205688050 348575019 /nfs/dbraw/zinc/57/50/19/348575019.db2.gz UIZMFZRYVAGFFG-JTQLQIEISA-N 1 0 243.314 1.409 40 0 BDABRO CC(C)COc1ccc([C@@H](O)C[NH3+])cc1 ZINC000032012236 350176076 /nfs/dbraw/zinc/17/60/76/350176076.db2.gz ZVJVTRCHTXNKIV-LBPRGKRZSA-N 1 0 209.289 1.714 40 0 BDABRO Cc1ncc([C@@H](C[NH3+])N2CCCCCC2)cn1 ZINC000096511156 180173390 /nfs/dbraw/zinc/17/33/90/180173390.db2.gz CKCHUNQZNUQXDU-CYBMUJFWSA-N 1 0 234.347 1.661 40 0 BDABRO Cc1nccn1-c1cncc([C@H]2CCC[NH2+]C2)n1 ZINC000072344151 180230497 /nfs/dbraw/zinc/23/04/97/180230497.db2.gz RBXMYSRTWDJWDD-NSHDSACASA-N 1 0 243.314 1.438 40 0 BDABRO CCC[C@@H]([NH3+])CN(C)CCc1ccccn1 ZINC000036873597 259412875 /nfs/dbraw/zinc/41/28/75/259412875.db2.gz SPHSASOJTDPVSL-GFCCVEGCSA-N 1 0 221.348 1.683 40 0 BDABRO Cc1nn(C)c(C)c1CN(C)C[C@@H]1CCC[NH2+]1 ZINC000096523700 180336658 /nfs/dbraw/zinc/33/66/58/180336658.db2.gz CBTFPAXJJNYEKD-LBPRGKRZSA-N 1 0 236.363 1.221 40 0 BDABRO Cc1nn(C)c(C)c1[C@H](O)C1(C[NH3+])CCC1 ZINC000085395969 180348290 /nfs/dbraw/zinc/34/82/90/180348290.db2.gz URXCEDYVPWTDMG-NSHDSACASA-N 1 0 223.320 1.199 40 0 BDABRO C[C@@H](NC(=O)[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000040414598 363145874 /nfs/dbraw/zinc/14/58/74/363145874.db2.gz XBQPGKREUKFCAL-JGVFFNPUSA-N 1 0 210.252 1.350 40 0 BDABRO Fc1cc(F)c(CNC2CC[NH2+]CC2)c(F)c1 ZINC000067802659 180950186 /nfs/dbraw/zinc/95/01/86/180950186.db2.gz KUJATDTYHDYOKE-UHFFFAOYSA-N 1 0 244.260 1.946 40 0 BDABRO Fc1cccnc1N[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC000096072661 181016736 /nfs/dbraw/zinc/01/67/36/181016736.db2.gz FQFHPHPQJXWYRC-JOYOIKCWSA-N 1 0 237.278 1.154 40 0 BDABRO Fc1cccnc1N[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC000096072660 181017298 /nfs/dbraw/zinc/01/72/98/181017298.db2.gz FQFHPHPQJXWYRC-BXKDBHETSA-N 1 0 237.278 1.154 40 0 BDABRO Fc1cncc(-c2noc(C3CC[NH2+]CC3)n2)c1 ZINC000095096655 181019981 /nfs/dbraw/zinc/01/99/81/181019981.db2.gz HAWVEKKEOSTJDA-UHFFFAOYSA-N 1 0 248.261 1.738 40 0 BDABRO NC(=[NH2+])c1ccccc1I ZINC000001439376 181196181 /nfs/dbraw/zinc/19/61/81/181196181.db2.gz JJDNHLNXBCLOOV-UHFFFAOYSA-N 1 0 246.051 1.575 40 0 BDABRO NC(=O)[C@]1(CCCc2cccnc2)CCCC[NH2+]1 ZINC000072344204 181285278 /nfs/dbraw/zinc/28/52/78/181285278.db2.gz JNUFSUDZSKFSOX-CQSZACIVSA-N 1 0 247.342 1.402 40 0 BDABRO Cc1c(C[NH2+]Cc2cnn(C)c2C)cnn1C ZINC000020349872 357339888 /nfs/dbraw/zinc/33/98/88/357339888.db2.gz IWGPYFRGYPMJQJ-UHFFFAOYSA-N 1 0 233.319 1.060 40 0 BDABRO O[C@]1(COc2ccccc2)CCC[NH2+]C1 ZINC000039645686 361061498 /nfs/dbraw/zinc/06/14/98/361061498.db2.gz QTCCAWZJVSBZDK-GFCCVEGCSA-N 1 0 207.273 1.180 40 0 BDABRO C[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207640 259523884 /nfs/dbraw/zinc/52/38/84/259523884.db2.gz CWISESPKYLRZOQ-UWVGGRQHSA-N 1 0 228.336 1.994 40 0 BDABRO Cc1ccc(CNC[C@@H]2CCC[NH2+]2)cc1 ZINC000041213130 361463909 /nfs/dbraw/zinc/46/39/09/361463909.db2.gz SXANIIIGZZUZJR-ZDUSSCGKSA-N 1 0 204.317 1.837 40 0 BDABRO CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000139185190 361586808 /nfs/dbraw/zinc/58/68/08/361586808.db2.gz BHOQHYOAFUMULA-UONOGXRCSA-N 1 0 216.328 1.823 40 0 BDABRO [NH3+]C1CC(NC(=O)OCc2ccccc2)C1 ZINC000032628939 181340699 /nfs/dbraw/zinc/34/06/99/181340699.db2.gz DYQPBEFYUZWUNL-UHFFFAOYSA-N 1 0 220.272 1.403 40 0 BDABRO [NH3+]CCN1CCC[C@@H]1c1cccc(F)c1 ZINC000032553280 181391457 /nfs/dbraw/zinc/39/14/57/181391457.db2.gz ZHHZIWGQQIVSNH-GFCCVEGCSA-N 1 0 208.280 1.921 40 0 BDABRO [NH3+]CCN(Cc1ccc(F)cc1)C1CC1 ZINC000032012032 181390589 /nfs/dbraw/zinc/39/05/89/181390589.db2.gz UYUCBMCZFQTOBJ-UHFFFAOYSA-N 1 0 208.280 1.749 40 0 BDABRO [NH3+]CCN(C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000079421422 181390792 /nfs/dbraw/zinc/39/07/92/181390792.db2.gz GAHSVNYWKDWWNJ-GFCCVEGCSA-N 1 0 248.326 1.250 40 0 BDABRO Cc1ccc(-c2nnn(C3CC[NH2+]CC3)n2)cc1 ZINC000019695359 368318502 /nfs/dbraw/zinc/31/85/02/368318502.db2.gz SBEYCVIWWNUIHU-UHFFFAOYSA-N 1 0 243.314 1.573 40 0 BDABRO Nc1ccc(C[C@H]2COC3(C2)CC[NH2+]CC3)cn1 ZINC000205681107 368356170 /nfs/dbraw/zinc/35/61/70/368356170.db2.gz MXJNFFSRXPJSJH-GFCCVEGCSA-N 1 0 247.342 1.365 40 0 BDABRO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000205688307 368357592 /nfs/dbraw/zinc/35/75/92/368357592.db2.gz SZXCDKFCCINYHN-LLVKDONJSA-N 1 0 245.330 1.821 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(N(C)C)cc1 ZINC000259758190 370938933 /nfs/dbraw/zinc/93/89/33/370938933.db2.gz LBLTZAGALIHVHZ-STQMWFEESA-N 1 0 248.326 1.229 40 0 BDABRO CC[C@@H](C)CNC(=O)[C@H]([NH3+])CC(C)C ZINC000054473167 369072502 /nfs/dbraw/zinc/07/25/02/369072502.db2.gz SOWWQDYNXSVQGB-NXEZZACHSA-N 1 0 200.326 1.522 40 0 BDABRO Cc1ccc(OC[C@@]2(O)CCC[NH2+]C2)cc1C ZINC000405205301 369448985 /nfs/dbraw/zinc/44/89/85/369448985.db2.gz WYONNXUXCYMGJF-CQSZACIVSA-N 1 0 235.327 1.797 40 0 BDABRO [NH3+]Cc1ccc([C@@H]2CCNC(=O)C2)c(Cl)c1 ZINC000199775344 181486952 /nfs/dbraw/zinc/48/69/52/181486952.db2.gz UUQJUMLMKJUEGD-SECBINFHSA-N 1 0 238.718 1.792 40 0 BDABRO Cn1ccnc1-c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000205687223 369997078 /nfs/dbraw/zinc/99/70/78/369997078.db2.gz GRSRSAVFWYRZJO-SECBINFHSA-N 1 0 229.287 1.302 40 0 BDABRO O=C1CC[C@H](C(F)(F)F)N1C1CC[NH2+]CC1 ZINC000256052483 370637147 /nfs/dbraw/zinc/63/71/47/370637147.db2.gz NMNPMZZJTALZAZ-MRVPVSSYSA-N 1 0 236.237 1.292 40 0 BDABRO C[C@H]1[C@H]2C[NH2+]C[C@H](C2)CN1C(=O)OC(C)(C)C ZINC000095093767 371248249 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384485426 /nfs/dbraw/zinc/48/54/26/384485426.db2.gz WWJQJSHXCBBXRO-JGVFFNPUSA-N 1 0 218.272 1.150 40 0 BDABRO Cc1nc(C2CC[NH2+]CC2)cc(N2CCCC2)n1 ZINC000072386400 384500494 /nfs/dbraw/zinc/50/04/94/384500494.db2.gz CGZQTMXSWHUMJM-UHFFFAOYSA-N 1 0 246.358 1.852 40 0 BDABRO Cc1cc(C(F)(F)F)nc([C@H]2CC[NH2+]C2)n1 ZINC000019686562 384531862 /nfs/dbraw/zinc/53/18/62/384531862.db2.gz MUGOWBUUYKMJRG-ZETCQYMHSA-N 1 0 231.221 1.881 40 0 BDABRO C[NH+](C)[C@@H](CO)c1ccc(F)c(F)c1 ZINC000070453246 384563275 /nfs/dbraw/zinc/56/32/75/384563275.db2.gz JFOGNXVZIDYXIH-JTQLQIEISA-N 1 0 201.216 1.560 40 0 BDABRO CO[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000016158198 384622992 /nfs/dbraw/zinc/62/29/92/384622992.db2.gz OJYYVIVMIWTFGH-RYUDHWBXSA-N 1 0 209.264 1.918 40 0 BDABRO c1csc(COCc2n[nH]c3c2C[NH2+]C3)n1 ZINC000101186775 384666449 /nfs/dbraw/zinc/66/64/49/384666449.db2.gz NTTONTASJZYIJM-UHFFFAOYSA-N 1 0 236.300 1.186 40 0 BDABRO [NH3+][C@H]1CC[C@H](N2Cc3ccccc3C2=O)CC1 ZINC000100806960 384652910 /nfs/dbraw/zinc/65/29/10/384652910.db2.gz BVCPSRHECUDWEA-TXEJJXNPSA-N 1 0 230.311 1.912 40 0 BDABRO C[N@@H+]1CCC[C@@H](C(=O)NCc2cccnc2)C1 ZINC000082308550 384662258 /nfs/dbraw/zinc/66/22/58/384662258.db2.gz VMMUPJZVBSKQNM-GFCCVEGCSA-N 1 0 233.315 1.040 40 0 BDABRO Cc1ccsc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000052093005 384715011 /nfs/dbraw/zinc/71/50/11/384715011.db2.gz FSOGTDWPBYPVHI-MRVPVSSYSA-N 1 0 210.302 1.148 40 0 BDABRO Clc1ncc(CO[C@@H]2CC[NH2+]C2)s1 ZINC000072203544 385054674 /nfs/dbraw/zinc/05/46/74/385054674.db2.gz GJFOEJLJQUXOLU-ZCFIWIBFSA-N 1 0 218.709 1.675 40 0 BDABRO Clc1ncc(CNC[C@@H]2CCC[NH2+]C2)s1 ZINC000072203552 385056236 /nfs/dbraw/zinc/05/62/36/385056236.db2.gz UOEOFNWUBKKAJY-MRVPVSSYSA-N 1 0 245.779 1.886 40 0 BDABRO Nc1ccc([C@@H]2CCCCN2C=O)cn1 ZINC000072212392 385076244 /nfs/dbraw/zinc/07/62/44/385076244.db2.gz ZEWAGGHBXLRWDF-JTQLQIEISA-N 1 0 205.261 1.347 40 0 BDABRO CNc1ncccc1[C@@H]1CCCN1C(C)=O ZINC000072212530 385076258 /nfs/dbraw/zinc/07/62/58/385076258.db2.gz TWVTXIYPAFBYND-NSHDSACASA-N 1 0 219.288 1.807 40 0 BDABRO CC[C@H](O)c1cnc(N2CC[NH2+]CC2)c(C)c1 ZINC000072222535 385111006 /nfs/dbraw/zinc/11/10/06/385111006.db2.gz FKOJRGLBTFCJRB-LBPRGKRZSA-N 1 0 235.331 1.243 40 0 BDABRO c1cnc(N2CCOCC2)c([C@@H]2CCC[NH2+]2)c1 ZINC000072216204 385093563 /nfs/dbraw/zinc/09/35/63/385093563.db2.gz GHRDRJWPDHAYNE-LBPRGKRZSA-N 1 0 233.315 1.343 40 0 BDABRO Cc1cc(N(C)C)ncc1[C@H]1CCC[NH2+]1 ZINC000072218663 385100853 /nfs/dbraw/zinc/10/08/53/385100853.db2.gz QIRDENZDHORJOJ-LLVKDONJSA-N 1 0 205.305 1.881 40 0 BDABRO FC(F)(F)Cc1nc(C2CC[NH2+]CC2)no1 ZINC000062253508 385167495 /nfs/dbraw/zinc/16/74/95/385167495.db2.gz JPDGIYSPGPDOCR-UHFFFAOYSA-N 1 0 235.209 1.641 40 0 BDABRO C[NH2+][C@H]1CCN(C)Cc2ccc(F)cc21 ZINC000096509725 385247452 /nfs/dbraw/zinc/24/74/52/385247452.db2.gz YTUYANYHVAXFBR-LBPRGKRZSA-N 1 0 208.280 1.922 40 0 BDABRO CC(C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000096511439 385252246 /nfs/dbraw/zinc/25/22/46/385252246.db2.gz KTLHJGAUWGYXCY-UHFFFAOYSA-N 1 0 209.293 1.735 40 0 BDABRO Cn1cccc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000096511461 385252866 /nfs/dbraw/zinc/25/28/66/385252866.db2.gz FNIDLEUETZOJDF-MRVPVSSYSA-N 1 0 218.260 1.500 40 0 BDABRO O=C1N[C@@]2(CCC[NH2+]C2)Nc2ccc(F)cc21 ZINC000096516600 385258350 /nfs/dbraw/zinc/25/83/50/385258350.db2.gz PKIWUMFAPFBZAB-GFCCVEGCSA-N 1 0 235.262 1.061 40 0 BDABRO CN(C)c1cccc(CN2CCC[NH2+]CC2)c1 ZINC000096523654 385267042 /nfs/dbraw/zinc/26/70/42/385267042.db2.gz BWPSQNQBQJKIAB-UHFFFAOYSA-N 1 0 233.359 1.548 40 0 BDABRO [NH3+]C[C@H]1CCCCN1Cc1cc(C2CC2)n[nH]1 ZINC000096523600 385269777 /nfs/dbraw/zinc/26/97/77/385269777.db2.gz XJFCNWYOOWCIBZ-GFCCVEGCSA-N 1 0 234.347 1.600 40 0 BDABRO Cc1ccc(N2CCN(C[C@H](C)[NH3+])CC2)cc1 ZINC000096523935 385271846 /nfs/dbraw/zinc/27/18/46/385271846.db2.gz JDQBYYZQJANTHC-ZDUSSCGKSA-N 1 0 233.359 1.464 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1cccc(C)c1 ZINC000096524847 385277789 /nfs/dbraw/zinc/27/77/89/385277789.db2.gz CUAMCGFUXCZKCP-JQWIXIFHSA-N 1 0 241.356 1.818 40 0 BDABRO O=[N+]1C(c2ccccc2)=CN(O)[C@@H]2CCCC[C@H]21 ZINC000169302069 385412104 /nfs/dbraw/zinc/41/21/04/385412104.db2.gz HHSCFCYOSJBGHY-CHWSQXEVSA-N 1 0 244.294 1.892 40 0 BDABRO Cn1nccc1C[NH2+]CCc1ccccc1 ZINC000020312168 385428749 /nfs/dbraw/zinc/42/87/49/385428749.db2.gz YXUPGEQHOXVNOF-UHFFFAOYSA-N 1 0 215.300 1.752 40 0 BDABRO CCOC(=O)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000005717638 385506108 /nfs/dbraw/zinc/50/61/08/385506108.db2.gz BFVUHFOCHKBINX-LLVKDONJSA-N 1 0 211.305 1.957 40 0 BDABRO [NH3+]C[C@H](N1CCCCCC1)C(F)(F)F ZINC000037169446 385597567 /nfs/dbraw/zinc/59/75/67/385597567.db2.gz MYKSZFDBHAKLSD-QMMMGPOBSA-N 1 0 210.243 1.752 40 0 BDABRO [NH3+]C[C@H](O)c1cc(Br)ccc1F ZINC000020216678 385666174 /nfs/dbraw/zinc/66/61/74/385666174.db2.gz FSZGLIYFOXWILL-QMMMGPOBSA-N 1 0 234.068 1.580 40 0 BDABRO c1ccc(CO[C@@H]2CSC3(C[NH2+]C3)C2)nc1 ZINC000253595570 385685493 /nfs/dbraw/zinc/68/54/93/385685493.db2.gz GGSYQTGPOJYPQH-NSHDSACASA-N 1 0 236.340 1.446 40 0 BDABRO CCCCOCCC[NH2+]Cc1cnc(N)nc1 ZINC000062717401 385717815 /nfs/dbraw/zinc/71/78/15/385717815.db2.gz ZKZPOFJTKWUSGW-UHFFFAOYSA-N 1 0 238.335 1.355 40 0 BDABRO O=C(c1cc[nH]n1)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257218023 385753024 /nfs/dbraw/zinc/75/30/24/385753024.db2.gz DBOYDWHFMNDYGC-GHMZBOCLSA-N 1 0 248.330 1.014 40 0 BDABRO O=C(CC1CC1)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257246823 385754869 /nfs/dbraw/zinc/75/48/69/385754869.db2.gz IVZAAMMALKQPGI-QWHCGFSZSA-N 1 0 236.359 1.777 40 0 BDABRO Cc1cc(-c2cncc([C@H]3CCC[NH2+]3)n2)n[nH]1 ZINC000257236063 385755498 /nfs/dbraw/zinc/75/54/98/385755498.db2.gz HAQIGBNJBWTGGM-SECBINFHSA-N 1 0 229.287 1.600 40 0 BDABRO Cc1cc(C)nc(C[C@H]2CCC[N@H+](CCO)C2)n1 ZINC000257258228 385757507 /nfs/dbraw/zinc/75/75/07/385757507.db2.gz KSXDFHXVIKOTOI-CYBMUJFWSA-N 1 0 249.358 1.340 40 0 BDABRO c1cc(-c2nccnc2C[C@H]2CCC[NH2+]C2)n[nH]1 ZINC000257309894 385760110 /nfs/dbraw/zinc/76/01/10/385760110.db2.gz UCVQHWSXJSMRCR-SNVBAGLBSA-N 1 0 243.314 1.409 40 0 BDABRO Cn1nccc1-c1cc(C[C@@H]2CC[NH2+]C2)ccn1 ZINC000257305957 385760119 /nfs/dbraw/zinc/76/01/19/385760119.db2.gz SSGABKOVKDJRPV-LBPRGKRZSA-N 1 0 242.326 1.634 40 0 BDABRO Cc1cc(-c2ccc(C[C@H]3CC[NH2+]C3)cn2)n[nH]1 ZINC000257308250 385760288 /nfs/dbraw/zinc/76/02/88/385760288.db2.gz TWAWJJSTZOFCLN-GFCCVEGCSA-N 1 0 242.326 1.932 40 0 BDABRO Cc1cnc([C@@H]2CCC[N@H+](CCO)C2)s1 ZINC000257308735 385761417 /nfs/dbraw/zinc/76/14/17/385761417.db2.gz TXXHINSEFSOTKR-SNVBAGLBSA-N 1 0 226.345 1.623 40 0 BDABRO CC(C)(C)OC(=O)NCC12CC(C[NH3+])(C1)C2 ZINC000258833841 385779800 /nfs/dbraw/zinc/77/98/00/385779800.db2.gz MGMLIKLKQQVZPW-UHFFFAOYSA-N 1 0 226.320 1.640 40 0 BDABRO c1cc(-c2ncnc3c2CC[NH2+]CC3)cs1 ZINC000306138944 385991194 /nfs/dbraw/zinc/99/11/94/385991194.db2.gz SLIAQIIDGVFJJP-UHFFFAOYSA-N 1 0 231.324 1.893 40 0 BDABRO COC(=O)c1ccc2c(c1)[C@]1(CC[NH2+]1)CCO2 ZINC000306145309 385992754 /nfs/dbraw/zinc/99/27/54/385992754.db2.gz BBKPBHUHUGEDRW-ZDUSSCGKSA-N 1 0 233.267 1.444 40 0 BDABRO CC(C)(C)OC(=O)N1CC2(C1)SCC[C@@H]2[NH3+] ZINC000306145645 385994129 /nfs/dbraw/zinc/99/41/29/385994129.db2.gz LRCZEZCRJXQDOP-QMMMGPOBSA-N 1 0 244.360 1.440 40 0 BDABRO C[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000038121318 386123431 /nfs/dbraw/zinc/12/34/31/386123431.db2.gz SRYNPPRXFZPEER-SECBINFHSA-N 1 0 219.206 1.958 40 0 BDABRO c1ccc(OCC[C@@H]2CCOC3(C[NH2+]C3)C2)nc1 ZINC000263621728 386157487 /nfs/dbraw/zinc/15/74/87/386157487.db2.gz CDEZGCCBISBZHD-GFCCVEGCSA-N 1 0 248.326 1.619 40 0 BDABRO CCc1ccc(C[NH2+]C[C@H]2CCCO2)n1C ZINC000226019510 386233476 /nfs/dbraw/zinc/23/34/76/386233476.db2.gz XUEQNBXBQKDOIE-CYBMUJFWSA-N 1 0 222.332 1.856 40 0 BDABRO [NH3+]C[C@@H]1C[C@@]12CCOc1ccc(F)cc12 ZINC000218683160 386355205 /nfs/dbraw/zinc/35/52/05/386355205.db2.gz XXSNIODYNIZWCE-UFBFGSQYSA-N 1 0 207.248 1.825 40 0 BDABRO [NH3+]C[C@@H]1C[C@]12CCOc1ccc(F)cc12 ZINC000218683307 386356651 /nfs/dbraw/zinc/35/66/51/386356651.db2.gz XXSNIODYNIZWCE-QPUJVOFHSA-N 1 0 207.248 1.825 40 0 BDABRO [NH3+]CCc1cc2cccc3c2n(c1=O)CCC3 ZINC000044397872 386636073 /nfs/dbraw/zinc/63/60/73/386636073.db2.gz FUFBMQWOYICZPM-UHFFFAOYSA-N 1 0 228.295 1.449 40 0 BDABRO C[N@@H+]1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000225609194 386673002 /nfs/dbraw/zinc/67/30/02/386673002.db2.gz YERUOLXDZSNEDO-CMPLNLGQSA-N 1 0 225.719 1.978 40 0 BDABRO FC(F)(F)c1nc(Cl)c2c(n1)C[NH2+]CC2 ZINC000035269979 386694403 /nfs/dbraw/zinc/69/44/03/386694403.db2.gz YXZCCWINWURAGH-UHFFFAOYSA-N 1 0 237.612 1.795 40 0 BDABRO CN1C(=O)C2(CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000096244734 387024084 /nfs/dbraw/zinc/02/40/84/387024084.db2.gz VZQBWUHSSAQBDX-GFCCVEGCSA-N 1 0 230.311 1.570 40 0 BDABRO c1ccn(C[C@@H]2CC[C@@H]3[NH2+]CCO[C@H]23)c1 ZINC000096250336 387026109 /nfs/dbraw/zinc/02/61/09/387026109.db2.gz DQMLLTCZMBQSFE-SDDRHHMPSA-N 1 0 206.289 1.255 40 0 BDABRO O=C1Nc2cc(Cl)ccc2C12CC[NH2+]CC2 ZINC000098213874 387155169 /nfs/dbraw/zinc/15/51/69/387155169.db2.gz RLORPWSNHWBLLU-UHFFFAOYSA-N 1 0 236.702 1.913 40 0 BDABRO O=C1[C@H]2C[C@H](C[N@@H+]3CCCC[C@@H]23)[C@H]2CCCCN12 ZINC000003643355 387488773 /nfs/dbraw/zinc/48/87/73/387488773.db2.gz YQMWQSMYVPLYDI-RQJABVFESA-N 1 0 248.370 1.872 40 0 in-vitro BDABRO [NH3+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000036405364 387845369 /nfs/dbraw/zinc/84/53/69/387845369.db2.gz RGCYVYYLTPUBAW-UHFFFAOYSA-N 1 0 221.178 1.923 40 0 BDABRO CCn1cc(CNCCC[NH+](CC)CC)cn1 ZINC000050539422 387847414 /nfs/dbraw/zinc/84/74/14/387847414.db2.gz BFULFBIQRJOBPA-UHFFFAOYSA-N 1 0 238.379 1.725 40 0 BDABRO CCCn1cc(CNCC[NH+](CC)CC)cn1 ZINC000116912118 387852264 /nfs/dbraw/zinc/85/22/64/387852264.db2.gz CXEAHVRXXMIKED-UHFFFAOYSA-N 1 0 238.379 1.725 40 0 BDABRO CCCn1cc(C[NH2+]Cc2cnn(C)c2)cn1 ZINC000227285194 387857128 /nfs/dbraw/zinc/85/71/28/387857128.db2.gz CLQDKPDNUZVZMY-UHFFFAOYSA-N 1 0 233.319 1.316 40 0 BDABRO CCn1ncc(C)c1CNCC[NH+](CC)CC ZINC000256050738 387858595 /nfs/dbraw/zinc/85/85/95/387858595.db2.gz GHRFZHMCRIQFGO-UHFFFAOYSA-N 1 0 238.379 1.643 40 0 BDABRO Cc1cnn(C)c1C[NH2+]Cc1cnn(C)c1C ZINC000256054741 387862974 /nfs/dbraw/zinc/86/29/74/387862974.db2.gz XOTFPHLQDNUCFI-UHFFFAOYSA-N 1 0 233.319 1.060 40 0 BDABRO CCC[C@@H]1C[C@@H](OCCOCC)C[NH2+]1 ZINC000217861694 388382883 /nfs/dbraw/zinc/38/28/83/388382883.db2.gz FSCVLYYGDCOZPE-GHMZBOCLSA-N 1 0 201.310 1.570 40 0 BDABRO CCOCCO[C@H]1C[NH2+][C@@H](CC(C)C)C1 ZINC000217862665 388383007 /nfs/dbraw/zinc/38/30/07/388383007.db2.gz RXMBQUIOYOLZGS-NWDGAFQWSA-N 1 0 215.337 1.816 40 0 BDABRO CCCC[C@@H]1C[C@@H](O)C[N@@H+]1CCOCC ZINC000217881235 388383108 /nfs/dbraw/zinc/38/31/08/388383108.db2.gz CVWULBIVPMKHKA-VXGBXAGGSA-N 1 0 215.337 1.648 40 0 BDABRO C([C@@H]1CCCO1)N1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000242543341 388399260 /nfs/dbraw/zinc/39/92/60/388399260.db2.gz JXGJYHMXVRWTCW-RWMBFGLXSA-N 1 0 224.348 1.382 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1cccc(OC)c1 ZINC000242548485 388399826 /nfs/dbraw/zinc/39/98/26/388399826.db2.gz LNISMTZZVFQDHO-QWHCGFSZSA-N 1 0 249.310 1.513 40 0 BDABRO CC(C)(C)OC(=O)[C@@H](N)CC1CC[NH2+]CC1 ZINC000071186784 388508956 /nfs/dbraw/zinc/50/89/56/388508956.db2.gz BGPALDULXGNAOL-JTQLQIEISA-N 1 0 228.336 1.045 40 0 BDABRO COc1c(Br)cc(C=O)cc1C[NH3+] ZINC000225721316 388592542 /nfs/dbraw/zinc/59/25/42/388592542.db2.gz ATYGDDSIUNNDHK-UHFFFAOYSA-N 1 0 244.088 1.729 40 0 BDABRO CN(Cc1ccccc1Cl)C(=O)C[NH3+] ZINC000037798642 388610966 /nfs/dbraw/zinc/61/09/66/388610966.db2.gz JIFSSDRSMNQIDP-UHFFFAOYSA-N 1 0 212.680 1.257 40 0 BDABRO [NH3+]C[C@H](O)COc1ccccc1Cl ZINC000008028851 388557506 /nfs/dbraw/zinc/55/75/06/388557506.db2.gz WCLUBNCSEAICDL-ZETCQYMHSA-N 1 0 201.653 1.038 40 0 BDABRO CN1C[C@H]([NH3+])[C@@H](c2ccc(Cl)cc2)C1 ZINC000225606596 388623480 /nfs/dbraw/zinc/62/34/80/388623480.db2.gz LUHOAPONKQKMFS-MNOVXSKESA-N 1 0 210.708 1.696 40 0 BDABRO CN(CC[C@H]1CCC[NH2+]1)C(=O)OC(C)(C)C ZINC000199825941 388654975 /nfs/dbraw/zinc/65/49/75/388654975.db2.gz QNINVVQVKZJBLQ-SNVBAGLBSA-N 1 0 228.336 1.995 40 0 BDABRO Cc1ccc([C@H]2C[C@@]2(C[NH3+])CO)cc1C ZINC000062713709 388655114 /nfs/dbraw/zinc/65/51/14/388655114.db2.gz CYPVXWQTWKVUFC-CHWSQXEVSA-N 1 0 205.301 1.728 40 0 BDABRO CSCC[C@@H]([NH3+])C(=O)N1CCCCC1 ZINC000062725425 388655752 /nfs/dbraw/zinc/65/57/52/388655752.db2.gz WLSRFKYJRZEQFE-SECBINFHSA-N 1 0 216.350 1.079 40 0 BDABRO CCNc1ncc(C[NH2+]C2CCCC2)cn1 ZINC000062717521 388655928 /nfs/dbraw/zinc/65/59/28/388655928.db2.gz UFCQYZSUVSXPKW-UHFFFAOYSA-N 1 0 220.320 1.941 40 0 BDABRO CNc1ncc(C[NH2+]CCCOC(C)C)cn1 ZINC000062717484 388656047 /nfs/dbraw/zinc/65/60/47/388656047.db2.gz MKVLSXNTNXYCRU-UHFFFAOYSA-N 1 0 238.335 1.423 40 0 BDABRO Cc1noc(C)c1CCN1CCC[C@H]([NH3+])C1 ZINC000075151751 388657231 /nfs/dbraw/zinc/65/72/31/388657231.db2.gz FGDGVLPOMXFIEU-NSHDSACASA-N 1 0 223.320 1.257 40 0 BDABRO C[NH2+][C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000079439180 388695997 /nfs/dbraw/zinc/69/59/97/388695997.db2.gz DHWKWHZLDWGYGD-NSHDSACASA-N 1 0 247.346 1.239 40 0 BDABRO C[NH2+][C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000079439179 388696000 /nfs/dbraw/zinc/69/60/00/388696000.db2.gz DHWKWHZLDWGYGD-LLVKDONJSA-N 1 0 247.346 1.239 40 0 BDABRO COc1c(C)cccc1C[NH2+]C(C)(C)CO ZINC000095094798 388759416 /nfs/dbraw/zinc/75/94/16/388759416.db2.gz JNIHCZKAAWSQNW-UHFFFAOYSA-N 1 0 223.316 1.864 40 0 BDABRO COc1cccc2c(N3CC[NH2+]CC3)ccnc12 ZINC000040175319 132296164 /nfs/dbraw/zinc/29/61/64/132296164.db2.gz YFEYARNUBSQGMP-UHFFFAOYSA-N 1 0 243.310 1.653 40 0 BDABRO C[C@H]([NH3+])c1cccc(N2CCOCC2)c1 ZINC000012357005 132321131 /nfs/dbraw/zinc/32/11/31/132321131.db2.gz HUBJUNYFFJVKPC-JTQLQIEISA-N 1 0 206.289 1.543 40 0 BDABRO CN(C)c1ccc(N2CC[NH+](C)CC2)cc1N ZINC000020271218 132330665 /nfs/dbraw/zinc/33/06/65/132330665.db2.gz BEJLZWCJVFDLHF-UHFFFAOYSA-N 1 0 234.347 1.087 40 0 BDABRO c1cc2ccc(N3CC[NH2+]CC3)cc2cn1 ZINC000026896005 132333582 /nfs/dbraw/zinc/33/35/82/132333582.db2.gz NDFDIGKFIOTRPZ-UHFFFAOYSA-N 1 0 213.284 1.644 40 0 in-vitro BDABRO COC(=O)c1ccc(N2CC[NH2+]C[C@@H]2C)cc1 ZINC000039952481 132346949 /nfs/dbraw/zinc/34/69/49/132346949.db2.gz VBZAHOUQJUGYHM-JTQLQIEISA-N 1 0 234.299 1.271 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000079033808 166655006 /nfs/dbraw/zinc/65/50/06/166655006.db2.gz WHVRANRQYMSGMH-WDEREUQCSA-N 1 0 240.347 1.995 40 0 BDABRO CC(C)CNC(=O)COc1ccc(C[NH3+])cc1 ZINC000021954641 166984302 /nfs/dbraw/zinc/98/43/02/166984302.db2.gz OZGSZBOFKIYKIN-UHFFFAOYSA-N 1 0 236.315 1.296 40 0 BDABRO CCOC[C@@H]1COCCC12CC[NH2+]CC2 ZINC000306127868 411508615 /nfs/dbraw/zinc/50/86/15/411508615.db2.gz GJQIUCRTZSXQIO-LLVKDONJSA-N 1 0 213.321 1.429 40 0 BDABRO CC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000067801211 170012180 /nfs/dbraw/zinc/01/21/80/170012180.db2.gz WYPHJLKRZSTDMH-SECBINFHSA-N 1 0 214.309 1.605 40 0 BDABRO CC[N@@H+]1CCc2[nH]c(=S)[nH]c(=O)c2C1 ZINC000049474143 170025361 /nfs/dbraw/zinc/02/53/61/170025361.db2.gz BGRBYWXLHMERQS-UHFFFAOYSA-N 1 0 211.290 1.223 40 0 BDABRO CC[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000021982478 170120431 /nfs/dbraw/zinc/12/04/31/170120431.db2.gz RKMARTBPQCEJTJ-JTQLQIEISA-N 1 0 228.336 1.995 40 0 BDABRO CC[NH2+]C[C@@H]1COCCN1Cc1ccccc1 ZINC000130822598 170120984 /nfs/dbraw/zinc/12/09/84/170120984.db2.gz DHUPRARYKXHPHU-CQSZACIVSA-N 1 0 234.343 1.497 40 0 BDABRO CCNc1ccnc(OCC2CC[NH2+]CC2)n1 ZINC000091351864 170175580 /nfs/dbraw/zinc/17/55/80/170175580.db2.gz CBFXHHKJUIWKHB-UHFFFAOYSA-N 1 0 236.319 1.287 40 0 BDABRO CCOC(=O)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000091304958 170235817 /nfs/dbraw/zinc/23/58/17/170235817.db2.gz OLAKVHYUFVKUTI-UHFFFAOYSA-N 1 0 219.284 1.438 40 0 BDABRO Cc1ncccc1C[NH2+]C1CC(CO)C1 ZINC000657813061 411604472 /nfs/dbraw/zinc/60/44/72/411604472.db2.gz PUMCMDQJYIGSCL-UHFFFAOYSA-N 1 0 206.289 1.251 40 0 BDABRO CC[C@H]1CCCC[N@@H+]1Cc1cc(N)nn1C ZINC000408716425 411885961 /nfs/dbraw/zinc/88/59/61/411885961.db2.gz MVDZBJBKZRVKRG-JTQLQIEISA-N 1 0 222.336 1.767 40 0 BDABRO C[C@@H]1C[C@@H]2C=CC=C[C@@H]2[N@@H+]1Cc1cc(N)nn1C ZINC000408716626 411911261 /nfs/dbraw/zinc/91/12/61/411911261.db2.gz OZGNYYJORXTVMQ-MDZLAQPJSA-N 1 0 244.342 1.707 40 0 BDABRO Cn1nc(N)cc1C[N@H+](C)C1CCCCC1 ZINC000408715526 411874550 /nfs/dbraw/zinc/87/45/50/411874550.db2.gz BMFOCWIMFVNQJR-UHFFFAOYSA-N 1 0 222.336 1.767 40 0 BDABRO CC[C@@H]([C@@H]([NH3+])c1ccc(N)cc1)S(C)(=O)=O ZINC000096524873 170951169 /nfs/dbraw/zinc/95/11/69/170951169.db2.gz NIIKBCYRVRSINP-QWRGUYRKSA-N 1 0 242.344 1.092 40 0 BDABRO CC[C@@H]1[N@H+](CC2CC2)CCC[C@]12CCC(=O)N2 ZINC000096052408 171144287 /nfs/dbraw/zinc/14/42/87/171144287.db2.gz APOXNSUADOHALW-JSGCOSHPSA-N 1 0 236.359 1.920 40 0 BDABRO CC[C@@](C)(NC[C@H]1CCCO1)C(=O)OC ZINC000030769415 171175237 /nfs/dbraw/zinc/17/52/37/171175237.db2.gz ODBGTFLZFHGRPX-MWLCHTKSSA-N 1 0 215.293 1.097 40 0 BDABRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C)CC1 ZINC000011959254 171393778 /nfs/dbraw/zinc/39/37/78/171393778.db2.gz ABKYPXAITGORTR-QWRGUYRKSA-N 1 0 212.337 1.618 40 0 BDABRO CCc1nnc2sc(-c3ccc[n+](C)c3)nn12 ZINC000226774208 172068852 /nfs/dbraw/zinc/06/88/52/172068852.db2.gz CETGLMCSWNRKOK-UHFFFAOYSA-N 1 0 246.319 1.240 40 0 BDABRO CCc1noc([C@@H]2C[NH2+]CC23CCCC3)n1 ZINC000328579679 172091213 /nfs/dbraw/zinc/09/12/13/172091213.db2.gz VXGRGIXAQQIGQE-VIFPVBQESA-N 1 0 221.304 1.879 40 0 BDABRO CN(C(=O)[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000077464339 172333276 /nfs/dbraw/zinc/33/32/76/172333276.db2.gz LVPFNWPUCFHMNP-LLVKDONJSA-N 1 0 222.263 1.541 40 0 BDABRO C[NH+](C)CCn1cnc2cnc(Cl)nc21 ZINC000096311475 172480425 /nfs/dbraw/zinc/48/04/25/172480425.db2.gz IDDMZCBVWHXNJS-UHFFFAOYSA-N 1 0 225.683 1.041 40 0 BDABRO CN(C)c1cc(C[C@@H]2CCC[NH2+]C2)ncn1 ZINC000257197581 172544212 /nfs/dbraw/zinc/54/42/12/172544212.db2.gz DCXOJNAYWLREJU-JTQLQIEISA-N 1 0 220.320 1.085 40 0 BDABRO C[NH+]1CCC(c2cnc(N3CCCC3)cn2)CC1 ZINC000072386408 173001539 /nfs/dbraw/zinc/00/15/39/173001539.db2.gz YJCSLIZIJHKNTQ-UHFFFAOYSA-N 1 0 246.358 1.886 40 0 BDABRO CN(C)c1cccc(C2CC[NH+](C)CC2)n1 ZINC000072381280 173001675 /nfs/dbraw/zinc/00/16/75/173001675.db2.gz OBQCUKHNLXAMNU-UHFFFAOYSA-N 1 0 219.332 1.957 40 0 BDABRO C[N@@H+]1CCCC[C@]12CCN(c1nncs1)C2 ZINC000096203131 173010231 /nfs/dbraw/zinc/01/02/31/173010231.db2.gz ZIZDXTNIGLGMGR-LLVKDONJSA-N 1 0 238.360 1.603 40 0 BDABRO C[N@@H+]1CCCN(Cc2ccc(C=O)cc2)CC1 ZINC000019850999 173018080 /nfs/dbraw/zinc/01/80/80/173018080.db2.gz WFLDZQQKNFWMAY-UHFFFAOYSA-N 1 0 232.327 1.637 40 0 BDABRO CN(C)c1cnc(C[C@H]2CCC[N@H+](C)CC2)cn1 ZINC000257340009 173040316 /nfs/dbraw/zinc/04/03/16/173040316.db2.gz ZECWQTULPRZXJP-LBPRGKRZSA-N 1 0 248.374 1.817 40 0 BDABRO CN1CCC[C@H]1C[NH2+]Cc1cccnc1 ZINC000096511173 173055221 /nfs/dbraw/zinc/05/52/21/173055221.db2.gz YBKZMBOJZAMGAS-LBPRGKRZSA-N 1 0 205.305 1.265 40 0 BDABRO CN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1=O ZINC000306137732 173141581 /nfs/dbraw/zinc/14/15/81/173141581.db2.gz RENKFNPEZKRPGY-OCCSQVGLSA-N 1 0 230.311 1.222 40 0 BDABRO C[N@@H+]1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000049169668 173158620 /nfs/dbraw/zinc/15/86/20/173158620.db2.gz IFKUIXNRCJEHFV-JTQLQIEISA-N 1 0 230.271 1.551 40 0 biogenic,in-vitro BDABRO C[NH2+]C[C@@H](OC)c1cc(OC)ccc1OC ZINC000062711432 173366189 /nfs/dbraw/zinc/36/61/89/173366189.db2.gz AYNGVSXGUIWWEZ-GFCCVEGCSA-N 1 0 225.288 1.611 40 0 BDABRO C[NH2+]Cc1nnc2ccc(-c3ccsc3)nn21 ZINC000328579534 173398566 /nfs/dbraw/zinc/39/85/66/173398566.db2.gz NYRDODBITWGHOF-UHFFFAOYSA-N 1 0 245.311 1.572 40 0 BDABRO C[NH2+]Cc1nnc2cc(C(F)(F)F)ccn21 ZINC000328579447 173398811 /nfs/dbraw/zinc/39/88/11/173398811.db2.gz JIPHJALYSJYLAD-UHFFFAOYSA-N 1 0 230.193 1.468 40 0 BDABRO COCCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000062623213 174124926 /nfs/dbraw/zinc/12/49/26/174124926.db2.gz PSOCMHQCWRMGNS-CYBMUJFWSA-N 1 0 248.326 1.196 40 0 BDABRO COCC[NH+]1CCC(c2ccncn2)CC1 ZINC000072357030 174305737 /nfs/dbraw/zinc/30/57/37/174305737.db2.gz RXFNXAIZWNTELD-UHFFFAOYSA-N 1 0 221.304 1.302 40 0 BDABRO COCC[N@@H+]1CCC[C@@H](c2nc(C)c[nH]2)C1 ZINC000257228005 174306064 /nfs/dbraw/zinc/30/60/64/174306064.db2.gz FRYLWTCHNBKDDM-LLVKDONJSA-N 1 0 223.320 1.544 40 0 BDABRO COCC[N@@H+]1CC[C@@H](O)[C@H]2CCCC[C@@H]21 ZINC000004687084 174313524 /nfs/dbraw/zinc/31/35/24/174313524.db2.gz AHGSGJBYLULRAA-SDDRHHMPSA-N 1 0 213.321 1.258 40 0 BDABRO COCC[NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000004969254 174331710 /nfs/dbraw/zinc/33/17/10/174331710.db2.gz HLZQRKRMRYSUIX-QWRGUYRKSA-N 1 0 228.336 1.012 40 0 BDABRO COCCNc1ccc([C@H]2CCC[N@@H+]2C)nc1 ZINC000072383415 174341598 /nfs/dbraw/zinc/34/15/98/174341598.db2.gz FYBDHRLMVAMXKF-CYBMUJFWSA-N 1 0 235.331 1.907 40 0 BDABRO COCCNc1ccc([C@@H]2CCC[N@@H+]2C)nc1 ZINC000072383416 174341947 /nfs/dbraw/zinc/34/19/47/174341947.db2.gz FYBDHRLMVAMXKF-ZDUSSCGKSA-N 1 0 235.331 1.907 40 0 BDABRO COc1cc(C[NH2+]C(C)C)cc(OC)c1O ZINC000020085508 174983267 /nfs/dbraw/zinc/98/32/67/174983267.db2.gz GXYBFALGQHWODZ-UHFFFAOYSA-N 1 0 225.288 1.907 40 0 BDABRO COc1cc(OC)c([C@H]2C[C@@H]2C[NH3+])c(OC)c1 ZINC000054587019 175008077 /nfs/dbraw/zinc/00/80/77/175008077.db2.gz XUNXISWRMRSWND-SCZZXKLOSA-N 1 0 237.299 1.775 40 0 BDABRO COc1ccc(-n2cnc(C[NH3+])c2)c(OC)c1 ZINC000082546939 175045028 /nfs/dbraw/zinc/04/50/28/175045028.db2.gz VPGDAJRKYFQZOF-UHFFFAOYSA-N 1 0 233.271 1.348 40 0 BDABRO COc1ccc(C[N@H+](CCO)C2CC2)cc1 ZINC000070125192 175097169 /nfs/dbraw/zinc/09/71/69/175097169.db2.gz VJXFSNFJFJIFRG-UHFFFAOYSA-N 1 0 221.300 1.652 40 0 BDABRO COc1ccc(C[NH2+]C[C@@H](C)O)c(OC)c1 ZINC000008535092 175107230 /nfs/dbraw/zinc/10/72/30/175107230.db2.gz AAQKZKGMNFUSBM-SECBINFHSA-N 1 0 225.288 1.174 40 0 BDABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000082325933 175146608 /nfs/dbraw/zinc/14/66/08/175146608.db2.gz MJKDJUVDFAKEJR-NSHDSACASA-N 1 0 248.326 1.976 40 0 BDABRO COc1ccc([C@H]2C[NH2+]CCO2)cc1OC ZINC000011803063 175196493 /nfs/dbraw/zinc/19/64/93/175196493.db2.gz CPYOKVZNTDIYDO-GFCCVEGCSA-N 1 0 223.272 1.365 40 0 BDABRO COc1ccc2c(c1)[C@]1(CCC2)COCC[NH2+]1 ZINC000306145635 175216960 /nfs/dbraw/zinc/21/69/60/175216960.db2.gz LEMWYGNLZDAYFQ-AWEZNQCLSA-N 1 0 233.311 1.847 40 0 BDABRO COc1ccc2c(c1)[nH]c1c2CC[NH2+]C1 ZINC000013587968 175223964 /nfs/dbraw/zinc/22/39/64/175223964.db2.gz SCIRNASYBOGBOO-UHFFFAOYSA-N 1 0 202.257 1.822 40 0 in-vivo BDABRO COc1cccc(C2([NH3+])CCOCC2)c1 ZINC000040907700 175248377 /nfs/dbraw/zinc/24/83/77/175248377.db2.gz LJULJYVJHFXCGG-UHFFFAOYSA-N 1 0 207.273 1.660 40 0 BDABRO COc1cccc(CCCN2CC[C@H]([NH3+])C2)c1 ZINC000096523489 175252237 /nfs/dbraw/zinc/25/22/37/175252237.db2.gz GMAMMKSADRNOBM-ZDUSSCGKSA-N 1 0 234.343 1.661 40 0 BDABRO COc1cccc([C@H]2C[N@H+](C)C[C@@H]2CO)c1 ZINC000217673736 175296293 /nfs/dbraw/zinc/29/62/93/175296293.db2.gz PXVHDGQRKTXDLF-DGCLKSJQSA-N 1 0 221.300 1.333 40 0 BDABRO COc1ccccc1-c1c(N)n[nH]c1C[NH+](C)C ZINC000026511486 175308002 /nfs/dbraw/zinc/30/80/02/175308002.db2.gz MYLWXOVMWJZTNN-UHFFFAOYSA-N 1 0 246.314 1.729 40 0 BDABRO COc1ccccc1C(=O)N1CC[NH2+]C[C@H]1C ZINC000054370273 175317468 /nfs/dbraw/zinc/31/74/68/175317468.db2.gz YTSWVXNGUXDISA-SNVBAGLBSA-N 1 0 234.299 1.129 40 0 BDABRO COc1ccccc1CC1(C[NH3+])CCOCC1 ZINC000061673986 175321387 /nfs/dbraw/zinc/32/13/87/175321387.db2.gz MOGMNLTWBKPRDR-UHFFFAOYSA-N 1 0 235.327 1.993 40 0 BDABRO C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000037388779 176086062 /nfs/dbraw/zinc/08/60/62/176086062.db2.gz ATXPKMUYJYYRAP-MWLCHTKSSA-N 1 0 210.321 1.433 40 0 BDABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(F)cc1 ZINC000041217537 176327225 /nfs/dbraw/zinc/32/72/25/176327225.db2.gz QXXINOPRGCUQLX-SNVBAGLBSA-N 1 0 208.280 1.619 40 0 BDABRO C[C@@H]1C[NH2+]CCN1Cc1cccc(F)c1F ZINC000054374475 176327716 /nfs/dbraw/zinc/32/77/16/176327716.db2.gz MGAVNQSNWVRMJT-SECBINFHSA-N 1 0 226.270 1.759 40 0 BDABRO C[C@H]([C@H]([NH3+])c1ccc(Cl)cc1)S(C)(=O)=O ZINC000075418381 177030943 /nfs/dbraw/zinc/03/09/43/177030943.db2.gz PLCMMWZDOGFYIG-XCBNKYQSSA-N 1 0 247.747 1.773 40 0 BDABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(N(C)C)cc1 ZINC000054370071 177283994 /nfs/dbraw/zinc/28/39/94/177283994.db2.gz WLQCWQZDRSPBAV-NSHDSACASA-N 1 0 247.342 1.187 40 0 BDABRO C[C@H]1C[NH2+]CCN1Cc1cc(F)c(F)cc1F ZINC000071978863 177284155 /nfs/dbraw/zinc/28/41/55/177284155.db2.gz GGHLSSJVMYPVKF-QMMMGPOBSA-N 1 0 244.260 1.898 40 0 BDABRO C[C@H]1C[NH2+]CCN1Cc1cc(F)ccc1F ZINC000054374689 177284237 /nfs/dbraw/zinc/28/42/37/177284237.db2.gz NXVDTYVPPZPWEA-VIFPVBQESA-N 1 0 226.270 1.759 40 0 BDABRO C[C@H]1C[NH2+]CCN1Cc1cccc(F)c1 ZINC000054373165 177284841 /nfs/dbraw/zinc/28/48/41/177284841.db2.gz PFXPZPWTKJJHCC-JTQLQIEISA-N 1 0 208.280 1.619 40 0 BDABRO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)[C@H](CCO)C[NH2+]1 ZINC000066055295 177309839 /nfs/dbraw/zinc/30/98/39/177309839.db2.gz XNKLPUQQLCCQIQ-HBNTYKKESA-N 1 0 243.347 1.325 40 0 BDABRO C[C@H]1C[C@@H]1C(=O)N1CCC2(CC([NH+](C)C)C2)C1 ZINC000108524935 177340028 /nfs/dbraw/zinc/34/00/28/177340028.db2.gz HZWNIUGPDMFZAR-ATWGWHJKSA-N 1 0 236.359 1.585 40 0 BDABRO COc1ccc2ccccc2c1C[C@@H](C[NH3+])CO ZINC000037290021 262745288 /nfs/dbraw/zinc/74/52/88/262745288.db2.gz RGOPNNRPYPEMOT-NSHDSACASA-N 1 0 245.322 1.958 40 0 BDABRO [NH3+]C1CCN(c2nc(Cl)nc(Cl)n2)CC1 ZINC000665887196 487815805 /nfs/dbraw/zinc/81/58/05/487815805.db2.gz YOJCYOZKPUBLNH-UHFFFAOYSA-N 1 0 248.117 1.106 40 0 BDABRO c1cc(-c2nc([C@H]3CCC[NH2+]C3)no2)ccn1 ZINC000062256913 323090845 /nfs/dbraw/zinc/09/08/45/323090845.db2.gz LNUKRUOWYKQRPU-JTQLQIEISA-N 1 0 230.271 1.599 40 0 BDABRO CC(C)CN1C(=O)C[C@@H]([NH3+])[C@H]1c1cccnc1 ZINC000062209889 323090862 /nfs/dbraw/zinc/09/08/62/323090862.db2.gz MZVMWXNKEYQFOP-DGCLKSJQSA-N 1 0 233.315 1.338 40 0 BDABRO O=c1[nH]c([C@@H]2CCC[NH2+]2)nc2ncccc12 ZINC000253536217 324192172 /nfs/dbraw/zinc/19/21/72/324192172.db2.gz LBHHSJFEENNYPZ-QMMMGPOBSA-N 1 0 216.244 1.155 40 0 BDABRO O=c1[nH]nc([C@@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000096517326 518203278 /nfs/dbraw/zinc/20/32/78/518203278.db2.gz YADNASGDVTZIKJ-SNVBAGLBSA-N 1 0 244.298 1.028 40 0 BDABRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[NH2+]C[C@H]21 ZINC000252448646 518838630 /nfs/dbraw/zinc/83/86/30/518838630.db2.gz ZBCUZTCLSWQWPS-DJLDLDEBSA-N 1 0 212.293 1.119 40 0 BDABRO COCCOc1nn(C)c2cc(C[NH3+])ccc21 ZINC000225772775 521757369 /nfs/dbraw/zinc/75/73/69/521757369.db2.gz UYVMSKZLGQSORQ-UHFFFAOYSA-N 1 0 235.287 1.057 40 0 BDABRO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2C)cc1 ZINC000225775962 523963844 /nfs/dbraw/zinc/96/38/44/523963844.db2.gz PNWPOVHLVNJJCM-GZMMTYOYSA-N 1 0 204.273 1.311 40 0 BDABRO CCC[NH2+]C1(Cc2cc(COC)on2)COC1 ZINC000067897987 535158207 /nfs/dbraw/zinc/15/82/07/535158207.db2.gz LJCIZMFWXQXHJT-UHFFFAOYSA-N 1 0 240.303 1.132 40 0 biogenic,in-vitro BDABRO C[NH2+][C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000168554853 536366630 /nfs/dbraw/zinc/36/66/30/536366630.db2.gz JTSBLYBEXPJERJ-QMMMGPOBSA-N 1 0 200.282 1.563 40 0 BDABRO CCc1c(C)nn(C2CC[NH2+]CC2)c1C ZINC000041671584 637015879 /nfs/dbraw/zinc/01/58/79/637015879.db2.gz ZBPFNRCDYIMVCD-UHFFFAOYSA-N 1 0 207.321 1.987 40 0 BDABRO Cc1cn(Cc2cccnc2)c(C[NH3+])c(C)c1=O ZINC000725327989 710755536 /nfs/dbraw/zinc/75/55/36/710755536.db2.gz CAMRECJPBQJRDS-UHFFFAOYSA-N 1 0 243.310 1.367 40 0 BDABRO Cc1nc(N(C)C)c(C(N)=O)c(C)c1C ZINC001537958133 995044052 /nfs/dbraw/zinc/04/40/52/995044052.db2.gz PQXGQYWZYGCOFX-UHFFFAOYSA-N 1 0 207.277 1.172 40 0 BDABRO CC[N@@H+]1CCC[C@@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000072361086 343979986 /nfs/dbraw/zinc/97/99/86/343979986.db2.gz RKBJYWZHXAGGSD-SNVBAGLBSA-N 1 0 221.304 1.690 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@@H](c2nncn2C)C1 ZINC000072361117 343980088 /nfs/dbraw/zinc/98/00/88/343980088.db2.gz WPKDTKSVSFQMCW-LLVKDONJSA-N 1 0 222.336 1.651 40 0 BDABRO Cc1cc(N(C)C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072381301 178096101 /nfs/dbraw/zinc/09/61/01/178096101.db2.gz ZHRWRJLSTAJRJT-NSHDSACASA-N 1 0 234.347 1.660 40 0 BDABRO CC[C@H]1[NH2+]CCC[C@]12CCC(=O)N2CCOC ZINC000306128660 398199936 /nfs/dbraw/zinc/19/99/36/398199936.db2.gz HHRCGDMPEFKUFH-YPMHNXCESA-N 1 0 240.347 1.156 40 0 BDABRO Cc1ccc(-c2noc(CC[NH3+])n2)cc1C ZINC000075413538 178343536 /nfs/dbraw/zinc/34/35/36/178343536.db2.gz LQKJIHFALBBLJX-UHFFFAOYSA-N 1 0 217.272 1.855 40 0 BDABRO C[NH+](C)CCN1CCc2c1cccc2N ZINC000070614520 259314124 /nfs/dbraw/zinc/31/41/24/259314124.db2.gz LDZPOSWPFWJCEE-UHFFFAOYSA-N 1 0 205.305 1.193 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](C)(O)C[NH3+] ZINC000072207967 259315103 /nfs/dbraw/zinc/31/51/03/259315103.db2.gz YSFVCYSQTOZXKF-SKDRFNHKSA-N 1 0 244.335 1.096 40 0 BDABRO CNC(=O)C[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000072208286 259315554 /nfs/dbraw/zinc/31/55/54/259315554.db2.gz FPKGPEIWGVFPBT-KOLCDFICSA-N 1 0 206.289 1.254 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](C)(O)C[NH3+] ZINC000072207965 259315198 /nfs/dbraw/zinc/31/51/98/259315198.db2.gz YSFVCYSQTOZXKF-BXKDBHETSA-N 1 0 244.335 1.096 40 0 BDABRO CC[NH+](CC)CC(=O)Nc1ccc(CO)cc1 ZINC000001596687 342705094 /nfs/dbraw/zinc/70/50/94/342705094.db2.gz RVFKAINYSLXGCD-UHFFFAOYSA-N 1 0 236.315 1.459 40 0 BDABRO CC[NH+](CC)C[C@H](O)Cc1ccc(OC)cc1 ZINC000001668555 342707747 /nfs/dbraw/zinc/70/77/47/342707747.db2.gz FVVQKJUABXKHIN-CYBMUJFWSA-N 1 0 237.343 1.940 40 0 BDABRO COC(=O)[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000575631095 398281009 /nfs/dbraw/zinc/28/10/09/398281009.db2.gz VYWULYQHYAJIJY-RAIGVLPGSA-N 1 0 249.310 1.525 40 0 BDABRO C[C@@H](O)C[C@H]1CCC[C@@H](C[C@@H](C)O)[NH2+]1 ZINC000005083191 342757702 /nfs/dbraw/zinc/75/77/02/342757702.db2.gz RLVDVFLJEJAKEW-DBIOUOCHSA-N 1 0 201.310 1.039 40 0 BDABRO Cc1ccc(NC(=S)NCC[NH+](C)C)nc1 ZINC000007143550 342789067 /nfs/dbraw/zinc/78/90/67/342789067.db2.gz HDNTVAZHEKKFHE-UHFFFAOYSA-N 1 0 238.360 1.238 40 0 BDABRO [NH3+][C@@H](CCN1CCOCC1)c1ccc(F)cc1 ZINC000012398961 342851284 /nfs/dbraw/zinc/85/12/84/342851284.db2.gz YRNKYHIXQIVKIL-ZDUSSCGKSA-N 1 0 238.306 1.548 40 0 BDABRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCCC1 ZINC000036757285 349741895 /nfs/dbraw/zinc/74/18/95/349741895.db2.gz AAJATTGJAMLLDW-NSHDSACASA-N 1 0 210.321 1.389 40 0 BDABRO CC(C)c1ccc(CNCC[NH2+]CCO)cc1 ZINC000022076458 343039665 /nfs/dbraw/zinc/03/96/65/343039665.db2.gz SFSSNMNEQKEAPW-UHFFFAOYSA-N 1 0 236.359 1.482 40 0 BDABRO CN(C)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000037233531 349788095 /nfs/dbraw/zinc/78/80/95/349788095.db2.gz ORBWMQQOWMHLDT-JTQLQIEISA-N 1 0 200.232 1.526 40 0 BDABRO COC(=O)[C@H](C)C[NH2+]Cc1ccc(OC)cc1 ZINC000035133570 343286328 /nfs/dbraw/zinc/28/63/28/343286328.db2.gz XAVASGPMJVJXIT-SNVBAGLBSA-N 1 0 237.299 1.594 40 0 BDABRO COC(=O)C[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000035747769 343303423 /nfs/dbraw/zinc/30/34/23/343303423.db2.gz ZVXDBWMXNIJZEF-SNVBAGLBSA-N 1 0 239.290 1.909 40 0 BDABRO CCN(Cc1cccc(C)c1)C(=O)[C@H](C)[NH3+] ZINC000037808646 343312508 /nfs/dbraw/zinc/31/25/08/343312508.db2.gz KTIAKWMYKCKAAZ-NSHDSACASA-N 1 0 220.316 1.691 40 0 BDABRO CC[NH+](CC)C[C@@H](N)Cc1ccccc1 ZINC000039141005 343386206 /nfs/dbraw/zinc/38/62/06/343386206.db2.gz RKXCHDNBGAKTES-ZDUSSCGKSA-N 1 0 206.333 1.898 40 0 BDABRO O=c1cc2n(cc1O)[C@@H]1CCCC[C@H]1[NH2+]C2 ZINC000040164033 343397802 /nfs/dbraw/zinc/39/78/02/343397802.db2.gz OYXZENZTYWZNNE-NXEZZACHSA-N 1 0 220.272 1.141 40 0 BDABRO CC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000082863419 343469280 /nfs/dbraw/zinc/46/92/80/343469280.db2.gz ANMZDWXUFJQIOF-UHFFFAOYSA-N 1 0 209.333 1.783 40 0 BDABRO Cc1cc(N(C)C)nc(C2CC[NH2+]CC2)n1 ZINC000072187592 343764594 /nfs/dbraw/zinc/76/45/94/343764594.db2.gz GYHABFROEBNYRY-UHFFFAOYSA-N 1 0 220.320 1.318 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000229205892 343793660 /nfs/dbraw/zinc/79/36/60/343793660.db2.gz OTUWIMKVPNIHSG-QWRGUYRKSA-N 1 0 211.305 1.575 40 0 BDABRO OC[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)o1 ZINC000409422882 343814232 /nfs/dbraw/zinc/81/42/32/343814232.db2.gz LPMHZQWBOLYQLI-RQJHMYQMSA-N 1 0 246.104 1.337 40 0 BDABRO COC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000395959657 343810773 /nfs/dbraw/zinc/81/07/73/343810773.db2.gz PJPOQKVMAIYGSG-NEPJUHHUSA-N 1 0 240.347 1.014 40 0 BDABRO [NH3+]CCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000212393375 344128584 /nfs/dbraw/zinc/12/85/84/344128584.db2.gz QGWZPUVAELCLDW-UHFFFAOYSA-N 1 0 233.237 1.739 40 0 BDABRO CN1C(=O)CC[C@@]12CCC[N@H+](CC1CC1)CC2 ZINC000585100531 344131294 /nfs/dbraw/zinc/13/12/94/344131294.db2.gz MMINCPIHVJDQAC-CQSZACIVSA-N 1 0 236.359 1.873 40 0 BDABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCC[NH2+]2)n1 ZINC000585178851 344276210 /nfs/dbraw/zinc/27/62/10/344276210.db2.gz QGUYBFADMVEGOA-JTQLQIEISA-N 1 0 243.314 1.990 40 0 BDABRO C[C@H](c1cnccn1)N1CCCC[C@H]1C[NH3+] ZINC000101632365 344323551 /nfs/dbraw/zinc/32/35/51/344323551.db2.gz TXAUAHKBMGAYJU-MNOVXSKESA-N 1 0 220.320 1.351 40 0 BDABRO C[N@H+]1[C@@H]2CC[C@H]1CC(NCc1ccncc1)C2 ZINC000020524007 344457019 /nfs/dbraw/zinc/45/70/19/344457019.db2.gz MHLIXRSHBGDEJK-AGUYFDCRSA-N 1 0 231.343 1.796 40 0 BDABRO C[NH+]1CCN(c2ccc3cccc(N)c3n2)CC1 ZINC000095554183 537863035 /nfs/dbraw/zinc/86/30/35/537863035.db2.gz GBRCKQVRLPIGIR-UHFFFAOYSA-N 1 0 242.326 1.569 40 0 BDABRO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000037473257 323107519 /nfs/dbraw/zinc/10/75/19/323107519.db2.gz JFKMFOHLIZOOHJ-UHFFFAOYSA-N 1 0 242.344 1.046 40 0 BDABRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCCCCC1 ZINC000004969131 346258079 /nfs/dbraw/zinc/25/80/79/346258079.db2.gz SMSXKIWDXMLHJU-GFCCVEGCSA-N 1 0 240.347 1.158 40 0 BDABRO Cc1cc(NC(=O)C[NH+]2CCCC2)ccc1N ZINC000008703605 346563257 /nfs/dbraw/zinc/56/32/57/346563257.db2.gz VLQIEXLDVNTFEL-UHFFFAOYSA-N 1 0 233.315 1.612 40 0 BDABRO [NH3+][C@H]1CCOc2c1ccc1c2OCCO1 ZINC000005945441 346633191 /nfs/dbraw/zinc/63/31/91/346633191.db2.gz PUKZKOBTRHHTQU-QMMMGPOBSA-N 1 0 207.229 1.240 40 0 BDABRO Cc1cccc(NC[C@@H](CO)[C@H]2CCOC2)[nH+]1 ZINC000281062031 179146309 /nfs/dbraw/zinc/14/63/09/179146309.db2.gz SZFIPFLPCVOFIV-RYUDHWBXSA-N 1 0 236.315 1.447 40 0 BDABRO Cc1cc(-c2ccnn2C)nc([C@@H]2CCC[NH2+]2)n1 ZINC000205695680 347454693 /nfs/dbraw/zinc/45/46/93/347454693.db2.gz HDOXFZPEYYPHMA-JTQLQIEISA-N 1 0 243.314 1.610 40 0 BDABRO Cc1ccccc1CN(C(=O)[C@H](C)[NH3+])C1CC1 ZINC000079420594 179266984 /nfs/dbraw/zinc/26/69/84/179266984.db2.gz JWHGGHRDQPRNBL-NSHDSACASA-N 1 0 232.327 1.833 40 0 BDABRO Cc1ccccc1CN1CC[NH2+][C@@H](C)C1 ZINC000071509111 179274462 /nfs/dbraw/zinc/27/44/62/179274462.db2.gz AHSCUBOOOJRZMJ-LBPRGKRZSA-N 1 0 204.317 1.789 40 0 BDABRO Nc1ccc(C[C@@H]2COC3(C2)CC[NH2+]CC3)cn1 ZINC000205681127 348573531 /nfs/dbraw/zinc/57/35/31/348573531.db2.gz MXJNFFSRXPJSJH-LBPRGKRZSA-N 1 0 247.342 1.365 40 0 BDABRO Cc1cnc([C@H]2CCC[N@H+](CCO)C2)s1 ZINC000257308734 179656157 /nfs/dbraw/zinc/65/61/57/179656157.db2.gz TXXHINSEFSOTKR-JTQLQIEISA-N 1 0 226.345 1.623 40 0 BDABRO Cc1csc(-c2cc[nH+]c(NN)c2)n1 ZINC000089263536 179760591 /nfs/dbraw/zinc/76/05/91/179760591.db2.gz ZZKDRDVJAJXDRD-UHFFFAOYSA-N 1 0 206.274 1.799 40 0 BDABRO CCc1nnc(CC[NH+]2CCCCCC2)[nH]1 ZINC000062719488 349340674 /nfs/dbraw/zinc/34/06/74/349340674.db2.gz UINOUKRCRXKSFZ-UHFFFAOYSA-N 1 0 222.336 1.786 40 0 BDABRO COC(=O)C(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123083 350084322 /nfs/dbraw/zinc/08/43/22/350084322.db2.gz UBCNRDTZKHEWLX-AOOOYVTPSA-N 1 0 213.321 1.916 40 0 BDABRO CC[C@@H](C(=O)OC)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123204 350084372 /nfs/dbraw/zinc/08/43/72/350084372.db2.gz JDLXWZOSNRKHLR-AXFHLTTASA-N 1 0 213.321 1.916 40 0 BDABRO Cc1nc([C@@H]2C[NH2+]C[C@H]2c2ccccc2)no1 ZINC000328579453 180044119 /nfs/dbraw/zinc/04/41/19/180044119.db2.gz JNGSNVZSUWUWMM-NWDGAFQWSA-N 1 0 229.283 1.849 40 0 BDABRO Cc1noc([C@@H]2C[NH2+]C[C@H]2c2ccncc2)n1 ZINC000328579663 180497148 /nfs/dbraw/zinc/49/71/48/180497148.db2.gz VHIZWNVFBADBKK-WDEREUQCSA-N 1 0 230.271 1.244 40 0 BDABRO Cc1cnc(N)c(C(=O)C2CC[NH2+]CC2)c1 ZINC000164959932 191122808 /nfs/dbraw/zinc/12/28/08/191122808.db2.gz IWQITABQOUXXJC-UHFFFAOYSA-N 1 0 219.288 1.155 40 0 BDABRO Cn1c2ccccc2nc1O[C@@H]1CCC[NH2+]C1 ZINC000043220329 363151676 /nfs/dbraw/zinc/15/16/76/363151676.db2.gz GOYBQQFPIZMGIE-SNVBAGLBSA-N 1 0 231.299 1.704 40 0 BDABRO O=[N+]1C(c2ccccc2)=CN(O)[C@@H]2CCCC[C@@H]21 ZINC000169302070 187816378 /nfs/dbraw/zinc/81/63/78/187816378.db2.gz HHSCFCYOSJBGHY-OLZOCXBDSA-N 1 0 244.294 1.892 40 0 BDABRO [NH3+][C@H](c1ccccc1)c1ccc(=O)[nH]c1 ZINC000045815038 353200887 /nfs/dbraw/zinc/20/08/87/353200887.db2.gz FJAYFIQHIXJDKQ-GFCCVEGCSA-N 1 0 200.241 1.423 40 0 BDABRO Fc1ccc(-c2ncnc3c2CC[NH2+]CC3)cc1 ZINC000306141377 180960508 /nfs/dbraw/zinc/96/05/08/180960508.db2.gz VTSBXQGSPIHHIE-UHFFFAOYSA-N 1 0 243.285 1.971 40 0 BDABRO COc1ccc(C[C@H]2CC[NH2+]C2)cc1OC ZINC000057951957 188485631 /nfs/dbraw/zinc/48/56/31/188485631.db2.gz PWSSKURTVMWSOJ-LLVKDONJSA-N 1 0 221.300 1.856 40 0 BDABRO Fc1cccc(F)c1CNC1CC[NH2+]CC1 ZINC000067802672 181000041 /nfs/dbraw/zinc/00/00/41/181000041.db2.gz NNVXHFFYCYOTSY-UHFFFAOYSA-N 1 0 226.270 1.806 40 0 BDABRO Fc1ccccc1OC[C@H]1C[NH2+]CCO1 ZINC000070649718 181015037 /nfs/dbraw/zinc/01/50/37/181015037.db2.gz JMYJHEGHEKRAIB-SECBINFHSA-N 1 0 211.236 1.193 40 0 BDABRO Fc1cncc(-c2noc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000095096656 181019130 /nfs/dbraw/zinc/01/91/30/181019130.db2.gz NTEMKECHZRHZNI-MRVPVSSYSA-N 1 0 248.261 1.738 40 0 BDABRO CCOC(=O)[C@H]1C[C@H]2C[C@@H]([C@H]1[NH3+])C2(C)C ZINC000032099072 188538058 /nfs/dbraw/zinc/53/80/58/188538058.db2.gz QSQQIOKAZCMRGD-XKNYDFJKSA-N 1 0 211.305 1.559 40 0 BDABRO NC(=[NH2+])COc1cccc(Br)c1 ZINC000055364096 181186441 /nfs/dbraw/zinc/18/64/41/181186441.db2.gz SBDJSNKEYVPMJB-UHFFFAOYSA-N 1 0 229.077 1.764 40 0 BDABRO C[C@]12C[N@H+](Cc3ccccc3)C[C@H]1COC2=O ZINC000001437822 355354858 /nfs/dbraw/zinc/35/48/58/355354858.db2.gz WYYLGDWDFHKZPL-JSGCOSHPSA-N 1 0 231.295 1.682 40 0 BDABRO CC[C@H](C)[N@H+](C1CC1)[C@@H]1CNCC[C@@]1(C)O ZINC000685936321 538754273 /nfs/dbraw/zinc/75/42/73/538754273.db2.gz QMSBJDKRCKCHIB-CYZMBNFOSA-N 1 0 226.364 1.362 40 0 BDABRO [NH3+][C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000022942105 357341664 /nfs/dbraw/zinc/34/16/64/357341664.db2.gz GLXIMRGOPABCGC-NSHDSACASA-N 1 0 210.708 1.873 40 0 BDABRO NC(=O)c1cc([C@H]2CC[NH2+]C2)nc2ccccc21 ZINC000019695431 181291939 /nfs/dbraw/zinc/29/19/39/181291939.db2.gz ACQBSGILGMNAON-VIFPVBQESA-N 1 0 241.294 1.411 40 0 BDABRO CCN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051918914 358100251 /nfs/dbraw/zinc/10/02/51/358100251.db2.gz SVNWUWKSUKFMLK-CYBMUJFWSA-N 1 0 225.380 1.014 40 0 BDABRO O=C1CCC(=O)N1[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005382578 360486654 /nfs/dbraw/zinc/48/66/54/360486654.db2.gz UJZWYHABZLDLFD-WDEREUQCSA-N 1 0 236.315 1.152 40 0 biogenic,in-vitro BDABRO NC(=O)c1cccc(C2CC[NH2+]CC2)c1 ZINC000038539358 181302926 /nfs/dbraw/zinc/30/29/26/181302926.db2.gz PGYKSKNYYWZSNQ-UHFFFAOYSA-N 1 0 204.273 1.253 40 0 BDABRO CCOC(=O)[C@H](N)[C@@](C)(CC)[NH+]1CCCC1 ZINC000072210578 259523658 /nfs/dbraw/zinc/52/36/58/259523658.db2.gz BJAFAAUYHPMRIT-CMPLNLGQSA-N 1 0 228.336 1.141 40 0 BDABRO [NH3+]C1(Cc2cc(-c3ccccc3)on2)COC1 ZINC000096296160 181331704 /nfs/dbraw/zinc/33/17/04/181331704.db2.gz OQYCYIMEIUQRSD-UHFFFAOYSA-N 1 0 230.267 1.612 40 0 biogenic,in-vitro BDABRO [NH3+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000063077088 181333669 /nfs/dbraw/zinc/33/36/69/181333669.db2.gz ZPXBPIHUFAUKEM-UHFFFAOYSA-N 1 0 213.227 1.929 40 0 BDABRO Cc1ccc(CNC[C@H]2CCC[NH2+]2)cc1 ZINC000041213131 361463853 /nfs/dbraw/zinc/46/38/53/361463853.db2.gz SXANIIIGZZUZJR-CYBMUJFWSA-N 1 0 204.317 1.837 40 0 BDABRO O=C(OCc1ccccc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000116085566 370731780 /nfs/dbraw/zinc/73/17/80/370731780.db2.gz KFKJACLLRKRWJE-BETUJISGSA-N 1 0 246.310 1.759 40 0 BDABRO [NH3+]CC1(c2ccc(F)cn2)CCOCC1 ZINC000098214145 181363191 /nfs/dbraw/zinc/36/31/91/181363191.db2.gz AXAAAEWRFMQZOH-UHFFFAOYSA-N 1 0 210.252 1.228 40 0 BDABRO Cc1cc(N2CCOCC2)ncc1[C@H](C)[NH3+] ZINC000072223556 259532210 /nfs/dbraw/zinc/53/22/10/259532210.db2.gz FEXWKCGVQQLSBC-JTQLQIEISA-N 1 0 221.304 1.246 40 0 BDABRO CC(C)[N@@H+]1CC[C@H](c2ccnc3nccn32)C1 ZINC000205697217 368358594 /nfs/dbraw/zinc/35/85/94/368358594.db2.gz MZFAZCPNRNEPSO-NSHDSACASA-N 1 0 230.315 1.927 40 0 BDABRO C[N@@H+]1CCC[C@H]1c1nccnc1-c1ncc[nH]1 ZINC000205695883 368358777 /nfs/dbraw/zinc/35/87/77/368358777.db2.gz RVGRHJQUHABKHV-VIFPVBQESA-N 1 0 229.287 1.633 40 0 BDABRO OC[C@@H]1C[NH2+]C[C@H]1c1ccccc1Cl ZINC000105639303 369060854 /nfs/dbraw/zinc/06/08/54/369060854.db2.gz MGNQLOJYBBCILH-WCBMZHEXSA-N 1 0 211.692 1.635 40 0 BDABRO [NH3+]C[C@]1(CO)C[C@H]1c1cccc(Cl)c1 ZINC000062713572 181469116 /nfs/dbraw/zinc/46/91/16/181469116.db2.gz GEAFVCBBULHSCD-QWRGUYRKSA-N 1 0 211.692 1.765 40 0 BDABRO CN(C)c1nc([C@H]2CCC[NH2+]2)cn2cccc12 ZINC000205689106 369996795 /nfs/dbraw/zinc/99/67/95/369996795.db2.gz FAJNNJTZKRODTN-SNVBAGLBSA-N 1 0 230.315 1.825 40 0 BDABRO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000205696018 369997956 /nfs/dbraw/zinc/99/79/56/369997956.db2.gz JQKSHSGZLKEAHT-SNVBAGLBSA-N 1 0 243.314 1.642 40 0 BDABRO Cc1ccc([C@@H]2[C@H](C[NH3+])[C@H]2S(C)(=O)=O)cc1 ZINC000242498664 259544507 /nfs/dbraw/zinc/54/45/07/259544507.db2.gz HMWLFUBGCFWOGW-QJPTWQEYSA-N 1 0 239.340 1.080 40 0 BDABRO CC(C)n1ccnc1[C@H]([NH3+])[C@H]1CCCOC1 ZINC000242648993 259545165 /nfs/dbraw/zinc/54/51/65/259545165.db2.gz RPJSBYXOKWUVIT-WDEREUQCSA-N 1 0 223.320 1.890 40 0 BDABRO [NH3+][C@@H]1CCCc2[nH]nc(-c3ccncc3)c21 ZINC000096511235 181585571 /nfs/dbraw/zinc/58/55/71/181585571.db2.gz WHRIHWRDWGFZGW-SECBINFHSA-N 1 0 214.272 1.808 40 0 BDABRO [NH3+][C@@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000038538995 181588222 /nfs/dbraw/zinc/58/82/22/181588222.db2.gz XYTGDNQKVACGOM-SNVBAGLBSA-N 1 0 212.243 1.498 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2n[nH]c3ccccc32)C1 ZINC000096523552 181644905 /nfs/dbraw/zinc/64/49/05/181644905.db2.gz XUMFEBATYXIJLQ-JTQLQIEISA-N 1 0 230.315 1.486 40 0 BDABRO CC[NH2+][C@H](C)C(=O)c1cc2c(c(C)c1)OCO2 ZINC000096024549 371379813 /nfs/dbraw/zinc/37/98/13/371379813.db2.gz YCLKQJDSTUZDKJ-SECBINFHSA-N 1 0 235.283 1.904 40 0 in-vitro BDABRO O=C(CCC1CCCC1)N1CCC[NH2+]CC1 ZINC000022217877 181905966 /nfs/dbraw/zinc/90/59/66/181905966.db2.gz DPTZAJOIORDEAB-UHFFFAOYSA-N 1 0 224.348 1.779 40 0 BDABRO O=C(NCc1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000062112384 182258605 /nfs/dbraw/zinc/25/86/05/182258605.db2.gz HDUBOHYFIDCSPN-JTQLQIEISA-N 1 0 222.263 1.051 40 0 BDABRO O=C(c1cccc(F)c1)N1CC[C@H]2C[NH2+]CC[C@H]21 ZINC000096249212 182671464 /nfs/dbraw/zinc/67/14/64/182671464.db2.gz FTALEENNIGJITL-WCQYABFASA-N 1 0 248.301 1.650 40 0 BDABRO O=C1CCOC[C@@H]2[NH2+]C[C@@H](c3ccccc3)[C@H]12 ZINC000095951741 182745118 /nfs/dbraw/zinc/74/51/18/182745118.db2.gz BIJGQBOZMHKTNQ-OBJOEFQTSA-N 1 0 231.295 1.348 40 0 BDABRO O=C1Nc2cc(F)ccc2CC12CC[NH2+]CC2 ZINC000085652950 182822388 /nfs/dbraw/zinc/82/23/88/182822388.db2.gz XECJTSAXTFSZDT-UHFFFAOYSA-N 1 0 234.274 1.690 40 0 BDABRO O=C1[C@@H]2CC[NH2+]C[C@@H]2OCCN1c1ccccc1 ZINC000096107125 182839610 /nfs/dbraw/zinc/83/96/10/182839610.db2.gz YDPFWLHRGVTMEI-OLZOCXBDSA-N 1 0 246.310 1.028 40 0 BDABRO OCCc1ccc(C2CC[NH2+]CC2)cc1 ZINC000044380863 183100775 /nfs/dbraw/zinc/10/07/75/183100775.db2.gz BHRBYANEPYPBJZ-UHFFFAOYSA-N 1 0 205.301 1.688 40 0 BDABRO O[C@@H](C[NH2+]C1CCCC1)COC1CCCC1 ZINC000033866891 183177203 /nfs/dbraw/zinc/17/72/03/183177203.db2.gz QESAJCTXOPNKDA-LBPRGKRZSA-N 1 0 227.348 1.839 40 0 BDABRO O[C@@H](C[n+]1ccccc1)c1ccc2c(c1)OCO2 ZINC000006567683 183183581 /nfs/dbraw/zinc/18/35/81/183183581.db2.gz YWYAEKYWZIELQR-LBPRGKRZSA-N 1 0 244.270 1.436 40 0 BDABRO O[C@@H](C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000100480051 183173360 /nfs/dbraw/zinc/17/33/60/183173360.db2.gz MIXKOCBGTXYXIY-CABCVRRESA-N 1 0 247.338 1.658 40 0 BDABRO O[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000038538679 183199993 /nfs/dbraw/zinc/19/99/93/183199993.db2.gz PXEJSKHLNKPJTA-SNVBAGLBSA-N 1 0 211.692 1.907 40 0 BDABRO Oc1ccc2c(c1Br)CC[NH2+]C2 ZINC000066351329 183283590 /nfs/dbraw/zinc/28/35/90/183283590.db2.gz YFDNRXLBPRJXON-UHFFFAOYSA-N 1 0 228.089 1.800 40 0 BDABRO c1c2c(nn1C1CCOCC1)C[C@H]1CC[C@@H]2[NH2+]1 ZINC000096510257 183324053 /nfs/dbraw/zinc/32/40/53/183324053.db2.gz MHOCOXZBRWOYKQ-SKDRFNHKSA-N 1 0 233.315 1.584 40 0 BDABRO CCC[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000005203237 169194220 /nfs/dbraw/zinc/19/42/20/169194220.db2.gz XSQCLJYZXBTODL-SNVBAGLBSA-N 1 0 214.309 1.559 40 0 BDABRO c1cc(-c2n[nH]c([C@H]3CCC[NH2+]C3)n2)ccn1 ZINC000012114035 183330186 /nfs/dbraw/zinc/33/01/86/183330186.db2.gz KPQZYPQCVHROHD-JTQLQIEISA-N 1 0 229.287 1.334 40 0 BDABRO O=c1[nH]cnc2[nH]cc(C[NH+]3CCCCC3)c21 ZINC000031647404 183308837 /nfs/dbraw/zinc/30/88/37/183308837.db2.gz YPBUATXUTLIOSC-UHFFFAOYSA-N 1 0 232.287 1.649 40 0 in-vitro BDABRO c1[nH]nc2cccc(O[C@@H]3CCC[NH2+]C3)c12 ZINC000080442800 183359729 /nfs/dbraw/zinc/35/97/29/183359729.db2.gz STOFNJTWRGUZBE-SECBINFHSA-N 1 0 217.272 1.694 40 0 BDABRO c1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000261585494 183345979 /nfs/dbraw/zinc/34/59/79/183345979.db2.gz QMCFUFAIXOWHOA-CHWSQXEVSA-N 1 0 217.316 1.123 40 0 BDABRO c1cc([C@H]2CC[N@@H+](Cc3cncs3)C2)n[nH]1 ZINC000257321221 183364287 /nfs/dbraw/zinc/36/42/87/183364287.db2.gz WAQIENMUJIUMLC-VIFPVBQESA-N 1 0 234.328 1.856 40 0 BDABRO c1cn2c(n1)nccc2[C@H]1CCC[NH2+]C1 ZINC000072187512 183364421 /nfs/dbraw/zinc/36/44/21/183364421.db2.gz IVQGBDOZSAGCIM-VIFPVBQESA-N 1 0 202.261 1.196 40 0 BDABRO c1ccc(-c2n[nH]c3c2[C@@H]2CC[C@H](C3)[NH2+]2)nc1 ZINC000096510295 183382133 /nfs/dbraw/zinc/38/21/33/183382133.db2.gz DGTSCVFDDKOUEH-BDAKNGLRSA-N 1 0 226.283 1.821 40 0 BDABRO c1cn2c(n1)nccc2[C@@H]1CCC[NH2+]C1 ZINC000072187511 183361787 /nfs/dbraw/zinc/36/17/87/183361787.db2.gz IVQGBDOZSAGCIM-SECBINFHSA-N 1 0 202.261 1.196 40 0 BDABRO c1nc([C@H]2CCC[NH2+]C2)n(-c2ccccc2)n1 ZINC000096524345 183387243 /nfs/dbraw/zinc/38/72/43/183387243.db2.gz BUHNFILNXRKAJJ-NSHDSACASA-N 1 0 228.299 1.734 40 0 BDABRO c1nn(-c2ccccc2)[n+](-c2ccccc2)n1 ZINC000001703422 183387980 /nfs/dbraw/zinc/38/79/80/183387980.db2.gz PCYRQCLIUFPNLT-UHFFFAOYSA-N 1 0 223.259 1.544 40 0 BDABRO c1cncc(N[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC000096220086 183496915 /nfs/dbraw/zinc/49/69/15/183496915.db2.gz YVVURQKLCZVCMP-NEPJUHHUSA-N 1 0 219.288 1.015 40 0 BDABRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH3+])CS2 ZINC000306145683 166645495 /nfs/dbraw/zinc/64/54/95/166645495.db2.gz NLXUFFJGHBSUJP-QMMMGPOBSA-N 1 0 244.360 1.440 40 0 BDABRO c1nc(CC[C@H]2CCC[NH2+]2)cc(N2CCCC2)n1 ZINC000072386393 183528288 /nfs/dbraw/zinc/52/82/88/183528288.db2.gz SIOUGOUHHPIPOM-GFCCVEGCSA-N 1 0 246.358 1.761 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@]2(C[NH3+])C[C@@H]2C1 ZINC000072208613 166654909 /nfs/dbraw/zinc/65/49/09/166654909.db2.gz KRLUHUHTEQKZGN-BXKDBHETSA-N 1 0 226.320 1.592 40 0 BDABRO CCC[C@H]([NH3+])CN(C)Cc1cn(C)nc1C ZINC000096523985 169504286 /nfs/dbraw/zinc/50/42/86/169504286.db2.gz JFKBDHVBUAIJST-LBPRGKRZSA-N 1 0 224.352 1.288 40 0 BDABRO O=C(OCc1ccccc1)N1CC[NH2+]CC12CC2 ZINC000066354491 383861660 /nfs/dbraw/zinc/86/16/60/383861660.db2.gz CNFXCAIYBBEOLR-UHFFFAOYSA-N 1 0 246.310 1.761 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1F ZINC000067173313 383912366 /nfs/dbraw/zinc/91/23/66/383912366.db2.gz PHKQMBKXMIDZOI-ZJUUUORDSA-N 1 0 223.247 1.302 40 0 BDABRO CC1(C)CC2(C[C@](C)(C[NH3+])C1)OCCO2 ZINC000002047903 383946055 /nfs/dbraw/zinc/94/60/55/383946055.db2.gz JTYLJEBZYKPFNI-LLVKDONJSA-N 1 0 213.321 1.905 40 0 BDABRO c1cnc(Nc2cncc([C@@H]3CCC[NH2+]3)n2)cn1 ZINC000072376508 384035499 /nfs/dbraw/zinc/03/54/99/384035499.db2.gz QJNQHPALLZZBKQ-VIFPVBQESA-N 1 0 242.286 1.435 40 0 BDABRO N[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000035677050 384088509 /nfs/dbraw/zinc/08/85/09/384088509.db2.gz GVWFYJNEJZYKID-QMMMGPOBSA-N 1 0 233.084 1.547 40 0 BDABRO N[C@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000035677108 384088932 /nfs/dbraw/zinc/08/89/32/384088932.db2.gz OEIJOMZGRVVYHM-MRVPVSSYSA-N 1 0 204.195 1.664 40 0 BDABRO [NH3+]CCc1cccc2c1OC(F)(F)O2 ZINC000038221001 384078220 /nfs/dbraw/zinc/07/82/20/384078220.db2.gz QXSGQNYEVCQACY-UHFFFAOYSA-N 1 0 201.172 1.509 40 0 BDABRO CC(C)c1noc(-c2cc[nH+]c(NN)c2)n1 ZINC000070451557 384107655 /nfs/dbraw/zinc/10/76/55/384107655.db2.gz XBGWMFVFMIAJDW-UHFFFAOYSA-N 1 0 219.248 1.541 40 0 BDABRO O=C(OCc1ccccc1)N1CC[C@H]2[NH2+]CC[C@@H]21 ZINC000091304338 384116176 /nfs/dbraw/zinc/11/61/76/384116176.db2.gz NRDFHLJYVIKWTL-OLZOCXBDSA-N 1 0 246.310 1.759 40 0 BDABRO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH3+] ZINC000072208925 384124043 /nfs/dbraw/zinc/12/40/43/384124043.db2.gz CCDGWMGDQSLCED-DTWKUNHWSA-N 1 0 216.325 1.883 40 0 BDABRO COC(=O)c1cccc(CN2CC[NH2+]C[C@@H]2C)c1 ZINC000039952489 384124455 /nfs/dbraw/zinc/12/44/55/384124455.db2.gz VZTRZUHQVWHAKU-NSHDSACASA-N 1 0 248.326 1.267 40 0 BDABRO CC(C)[N@H+](CCO)Cc1ccc(Cl)nn1 ZINC000079422379 384146956 /nfs/dbraw/zinc/14/69/56/384146956.db2.gz NYFAAPMYHZVYSJ-UHFFFAOYSA-N 1 0 229.711 1.333 40 0 BDABRO CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H](C)c1cnccn1 ZINC000079435808 384147069 /nfs/dbraw/zinc/14/70/69/384147069.db2.gz AAXWEXJSOYAKJL-UWVGGRQHSA-N 1 0 236.319 1.122 40 0 BDABRO CN(Cc1cccc(C(F)(F)F)c1)C(=O)C[NH3+] ZINC000079420823 384142389 /nfs/dbraw/zinc/14/23/89/384142389.db2.gz NHAIPCDIRWEFOW-UHFFFAOYSA-N 1 0 246.232 1.623 40 0 BDABRO CNc1cc(CC2CC[NH+](C)CC2)ncn1 ZINC000072345673 384211851 /nfs/dbraw/zinc/21/18/51/384211851.db2.gz AQYARLQIWOUSOE-UHFFFAOYSA-N 1 0 220.320 1.403 40 0 BDABRO Cn1cnnc1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072359870 384213431 /nfs/dbraw/zinc/21/34/31/384213431.db2.gz ANIZRBZEHSQYAW-CYBMUJFWSA-N 1 0 242.326 1.805 40 0 BDABRO Cn1cnnc1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000072361351 384214198 /nfs/dbraw/zinc/21/41/98/384214198.db2.gz YZBFAMUZUGTYNX-LLVKDONJSA-N 1 0 220.320 1.405 40 0 BDABRO c1cn(-c2cnc([C@@H]3CCC[NH2+]3)cn2)cn1 ZINC000072386547 384219559 /nfs/dbraw/zinc/21/95/59/384219559.db2.gz BINMHJUBWYOPJE-VIFPVBQESA-N 1 0 215.260 1.087 40 0 BDABRO [NH3+]C[C@@H]1CCCN(c2ccnc(Cl)n2)C1 ZINC000095072490 384343864 /nfs/dbraw/zinc/34/38/64/384343864.db2.gz FWXUDKSLSYRTBD-QMMMGPOBSA-N 1 0 226.711 1.305 40 0 BDABRO Cc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000085282232 384324941 /nfs/dbraw/zinc/32/49/41/384324941.db2.gz BDRMEZWQCQXSOH-PHIMTYICSA-N 1 0 206.289 1.239 40 0 BDABRO COC(=O)c1ccc(C[NH3+])c(Br)c1 ZINC000077020729 384392207 /nfs/dbraw/zinc/39/22/07/384392207.db2.gz PQHVNMAJMLQYLJ-UHFFFAOYSA-N 1 0 244.088 1.694 40 0 BDABRO CN1C(=O)[C@H](c2cccnc2)CC12CC[NH2+]CC2 ZINC000096261161 384446383 /nfs/dbraw/zinc/44/63/83/384446383.db2.gz KLNVMTYVWCQEEI-LBPRGKRZSA-N 1 0 245.326 1.150 40 0 BDABRO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH2+]CC2 ZINC000096261138 384446828 /nfs/dbraw/zinc/44/68/28/384446828.db2.gz HXYNGPKTPKGFOO-CYBMUJFWSA-N 1 0 244.338 1.755 40 0 BDABRO CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1 ZINC000096246014 384446921 /nfs/dbraw/zinc/44/69/21/384446921.db2.gz LOMNHTNICMOEGN-STQMWFEESA-N 1 0 230.311 1.492 40 0 BDABRO O=C1OCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000016082744 384450117 /nfs/dbraw/zinc/45/01/17/384450117.db2.gz XLCRTPSFIQQHEF-OLZOCXBDSA-N 1 0 231.295 1.682 40 0 BDABRO Fc1cccc(N2C[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000096054054 384429086 /nfs/dbraw/zinc/42/90/86/384429086.db2.gz JVGSNYPJISMGIN-SKDRFNHKSA-N 1 0 206.264 1.624 40 0 BDABRO Fc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000096054115 384430255 /nfs/dbraw/zinc/43/02/55/384430255.db2.gz IKLAMFDVVCLFBA-GXFFZTMASA-N 1 0 238.281 1.759 40 0 BDABRO C(O[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000096223607 384442199 /nfs/dbraw/zinc/44/21/99/384442199.db2.gz AQODFIDQIAZJLK-RYUDHWBXSA-N 1 0 211.305 1.324 40 0 BDABRO C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1 ZINC000079026911 384479386 /nfs/dbraw/zinc/47/93/86/384479386.db2.gz XBZKVDDAISELGC-UHFFFAOYSA-N 1 0 235.283 1.329 40 0 BDABRO COc1ccc(C[N@H+]2C[C@@H](C)N(N)[C@@H](C)C2)cc1 ZINC000019167597 384510187 /nfs/dbraw/zinc/51/01/87/384510187.db2.gz RGRJYOKQNWGSAD-TXEJJXNPSA-N 1 0 249.358 1.464 40 0 BDABRO c1cncc(O[C@@H]2COC3(C2)CC[NH2+]CC3)c1 ZINC000101187242 384667404 /nfs/dbraw/zinc/66/74/04/384667404.db2.gz HKKPZKRZZKJUAT-LBPRGKRZSA-N 1 0 234.299 1.372 40 0 BDABRO c1cncc(N2CC[C@@]3(C2)C2CC[NH+]3CC2)c1 ZINC000014020050 384667600 /nfs/dbraw/zinc/66/76/00/384667600.db2.gz LIWBYJGLHCGRCM-CQSZACIVSA-N 1 0 229.327 1.756 40 0 BDABRO C[C@@]1([NH3+])CCCN(Cc2ccccc2)C1 ZINC000082380029 384675024 /nfs/dbraw/zinc/67/50/24/384675024.db2.gz WVCJHFSAQOVXDK-CYBMUJFWSA-N 1 0 204.317 2.000 40 0 BDABRO CN(C)C[C@H]1c2ccccc2CC[N@H+]1C ZINC000022029652 384722426 /nfs/dbraw/zinc/72/24/26/384722426.db2.gz FTDUASQTTRDXDB-ZDUSSCGKSA-N 1 0 204.317 1.777 40 0 BDABRO CCOC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000026897923 384886102 /nfs/dbraw/zinc/88/61/02/384886102.db2.gz OARCYTVXLKTLPD-LBPRGKRZSA-N 1 0 209.289 1.174 40 0 BDABRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H]([NH3+])CO ZINC000026896485 384886984 /nfs/dbraw/zinc/88/69/84/384886984.db2.gz KYFURKFJGCSLKC-VHSXEESVSA-N 1 0 244.335 1.096 40 0 BDABRO NC(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000038539362 384864782 /nfs/dbraw/zinc/86/47/82/384864782.db2.gz GXQKGPXAUSBDLY-NSHDSACASA-N 1 0 204.273 1.253 40 0 BDABRO Cc1cnn(C)c1C[NH2+]Cc1cn(C)nc1C ZINC000256053515 384900869 /nfs/dbraw/zinc/90/08/69/384900869.db2.gz RTLJEGHQBFYLIF-UHFFFAOYSA-N 1 0 233.319 1.060 40 0 BDABRO COc1ccc(C[C@@H]2C[NH2+]CCO2)cc1 ZINC000071510378 384942690 /nfs/dbraw/zinc/94/26/90/384942690.db2.gz OFXHUYLLJDWILQ-GFCCVEGCSA-N 1 0 207.273 1.226 40 0 BDABRO Fc1cccc(Cl)c1CN[C@@H]1CC[NH2+]C1 ZINC000072203636 385056199 /nfs/dbraw/zinc/05/61/99/385056199.db2.gz SNHJZBXNVVOLQN-MRVPVSSYSA-N 1 0 228.698 1.931 40 0 BDABRO Clc1ccc(CO[C@@H]2CC[NH2+]C2)cn1 ZINC000072203545 385056252 /nfs/dbraw/zinc/05/62/52/385056252.db2.gz SPRPETUKPIJACY-SECBINFHSA-N 1 0 212.680 1.614 40 0 BDABRO Clc1ccc2onc(N3CC[NH2+]CC3)c2c1 ZINC000072209037 385065253 /nfs/dbraw/zinc/06/52/53/385065253.db2.gz ZNBKITPHCCSAHX-UHFFFAOYSA-N 1 0 237.690 1.891 40 0 BDABRO CC[C@H]([NH3+])c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072225533 385113876 /nfs/dbraw/zinc/11/38/76/385113876.db2.gz SYRMARPUZCDJDY-LBPRGKRZSA-N 1 0 234.347 1.243 40 0 BDABRO CC(C)n1cc([C@H](O)C2(C[NH3+])CCC2)cn1 ZINC000085395978 385161969 /nfs/dbraw/zinc/16/19/69/385161969.db2.gz CUMCYGMAHDAZQE-NSHDSACASA-N 1 0 223.320 1.626 40 0 BDABRO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2CCCC[C@@H]2O)C1 ZINC000089909641 385211218 /nfs/dbraw/zinc/21/12/18/385211218.db2.gz PSTYTNIKHJPIFB-MDZLAQPJSA-N 1 0 241.331 1.175 40 0 BDABRO CCc1ccc(OC[C@H](O)C[NH2+]C2CC2)cc1 ZINC000033465446 385237981 /nfs/dbraw/zinc/23/79/81/385237981.db2.gz XWLISOBDWQSHQO-CYBMUJFWSA-N 1 0 235.327 1.741 40 0 BDABRO C(c1noc(C2CCC2)n1)C1CC[NH2+]CC1 ZINC000096511441 385253269 /nfs/dbraw/zinc/25/32/69/385253269.db2.gz WCBJJQDXGRCGSJ-UHFFFAOYSA-N 1 0 221.304 1.879 40 0 BDABRO CC(C)(C)c1cc(CN2CCC[NH2+]CC2)[nH]n1 ZINC000096523651 385268729 /nfs/dbraw/zinc/26/87/29/385268729.db2.gz VVXFEIGLCWAQBQ-UHFFFAOYSA-N 1 0 236.363 1.503 40 0 BDABRO [NH3+][C@H]1CCN(CCCn2cnc3ccccc32)C1 ZINC000096523479 385269337 /nfs/dbraw/zinc/26/93/37/385269337.db2.gz WELBYCAOOLNBGX-LBPRGKRZSA-N 1 0 244.342 1.459 40 0 BDABRO C[NH2+]CCN1CCN(c2ccccc2C)CC1 ZINC000096523959 385270952 /nfs/dbraw/zinc/27/09/52/385270952.db2.gz DBDDFDYBUUAMLG-UHFFFAOYSA-N 1 0 233.359 1.336 40 0 BDABRO CCC[C@H]([NH3+])CN(CC)Cc1cnn(CC)c1 ZINC000096523983 385271616 /nfs/dbraw/zinc/27/16/16/385271616.db2.gz ZEQIKVPKGYRXIY-ZDUSSCGKSA-N 1 0 238.379 1.852 40 0 BDABRO CC[C@H]([C@@H]([NH3+])c1cccc(N)c1)S(C)(=O)=O ZINC000096524882 385277554 /nfs/dbraw/zinc/27/75/54/385277554.db2.gz KGHKWRCDTXOYRN-MNOVXSKESA-N 1 0 242.344 1.092 40 0 BDABRO C[NH+](C)C[C@H]1C(=O)[C@@H]2C[C@H]1[C@H]1CCC[C@H]21 ZINC000004480699 385581819 /nfs/dbraw/zinc/58/18/19/385581819.db2.gz NGVULNLBXHSZGF-KKJSVHSVSA-N 1 0 207.317 1.799 40 0 BDABRO CCC[C@@H]([NH3+])CN1CCN(c2ccccc2)CC1 ZINC000036873527 385588347 /nfs/dbraw/zinc/58/83/47/385588347.db2.gz DGMHJCNMJBCORC-CQSZACIVSA-N 1 0 247.386 1.936 40 0 BDABRO CCO[C@H](C[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000062711565 385688677 /nfs/dbraw/zinc/68/86/77/385688677.db2.gz NQFQMZOCSPDRRQ-CYBMUJFWSA-N 1 0 237.299 1.755 40 0 BDABRO CCc1nc(-c2cncnc2[C@H]2CC[NH2+]C2)no1 ZINC000019695446 385669083 /nfs/dbraw/zinc/66/90/83/385669083.db2.gz IBPMVOADBZCOPH-QMMMGPOBSA-N 1 0 245.286 1.166 40 0 BDABRO CC(C)N1CCC(=O)Nc2c[nH+]ccc21 ZINC000086158922 385750449 /nfs/dbraw/zinc/75/04/49/385750449.db2.gz UUEZYKSUZJLVDU-UHFFFAOYSA-N 1 0 205.261 1.639 40 0 BDABRO c1cc([C@H]2CCC[NH2+]2)ncc1CN1CCOCC1 ZINC000257198139 385753454 /nfs/dbraw/zinc/75/34/54/385753454.db2.gz UJQZCWYSXVQXIR-CYBMUJFWSA-N 1 0 247.342 1.338 40 0 BDABRO Cc1cc(-c2nccnc2C2CC[NH2+]CC2)n[nH]1 ZINC000257278494 385757599 /nfs/dbraw/zinc/75/75/99/385757599.db2.gz OCLVZVJWPVQNCQ-UHFFFAOYSA-N 1 0 243.314 1.642 40 0 BDABRO O=C1CCCC[C@]2(C[NH2+]C[C@H]2c2ccccc2)N1 ZINC000257298772 385760319 /nfs/dbraw/zinc/76/03/19/385760319.db2.gz RNFWMYMJUSRVEQ-DZGCQCFKSA-N 1 0 244.338 1.802 40 0 BDABRO Cc1nc(-c2cc[nH]n2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000257343267 385766846 /nfs/dbraw/zinc/76/68/46/385766846.db2.gz ZSGDJNOQYDAVJH-JTQLQIEISA-N 1 0 243.314 1.642 40 0 BDABRO CN(C)CC(C[NH+](C)C)c1ccccn1 ZINC000001717684 385863585 /nfs/dbraw/zinc/86/35/85/385863585.db2.gz SQUSMNIRSHYNOQ-UHFFFAOYSA-N 1 0 207.321 1.288 40 0 in-vitro BDABRO Cc1csc([C@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)n1 ZINC000306141378 385992966 /nfs/dbraw/zinc/99/29/66/385992966.db2.gz VTUBMVCOFALHBG-IVZWLZJFSA-N 1 0 224.329 1.891 40 0 BDABRO [NH3+][C@@H]1CCC[C@@H]1NCc1ccc2c(c1)OCO2 ZINC000218871794 386364190 /nfs/dbraw/zinc/36/41/90/386364190.db2.gz SWMLYUSDTCZHHV-MNOVXSKESA-N 1 0 234.299 1.385 40 0 BDABRO O=C1c2c(cccc2F)CN1[C@H]1CCC[NH2+]C1 ZINC000098213884 386579969 /nfs/dbraw/zinc/57/99/69/386579969.db2.gz RYGPHGGLQSSLRM-JTQLQIEISA-N 1 0 234.274 1.534 40 0 BDABRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCCCC1 ZINC000087122047 386536504 /nfs/dbraw/zinc/53/65/04/386536504.db2.gz HYNWCGPXMNVYNI-GHMZBOCLSA-N 1 0 210.321 1.387 40 0 BDABRO [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(Cl)cc1)C2 ZINC000247644635 386729669 /nfs/dbraw/zinc/72/96/69/386729669.db2.gz JPHUSGKNGDHGDL-ZYHUDNBSSA-N 1 0 222.719 1.873 40 0 BDABRO O=C(C1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932662 386942058 /nfs/dbraw/zinc/94/20/58/386942058.db2.gz CQLLMNRUJHSIOZ-LBPRGKRZSA-N 1 0 222.332 1.483 40 0 BDABRO C[NH2+][C@H]1COc2ccc(Br)cc2C1 ZINC000084789060 386970410 /nfs/dbraw/zinc/97/04/10/386970410.db2.gz TZQSXAIFKBWBGR-SECBINFHSA-N 1 0 242.116 1.972 40 0 BDABRO CS(=O)(=O)C1(c2nc(C[NH3+])cs2)CCC1 ZINC000096531964 387035999 /nfs/dbraw/zinc/03/59/99/387035999.db2.gz MXSSXBUPLQJHBD-UHFFFAOYSA-N 1 0 246.357 1.026 40 0 BDABRO [NH3+][C@@H]1C[C@@H](C(F)(F)F)CC2(C1)OCCO2 ZINC000575424074 387040393 /nfs/dbraw/zinc/04/03/93/387040393.db2.gz VFESXCIJMWIFST-RNFRBKRXSA-N 1 0 225.210 1.419 40 0 BDABRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[NH2+]C2 ZINC000096244832 387024745 /nfs/dbraw/zinc/02/47/45/387024745.db2.gz JTBKPIJMWDTIOO-OAHLLOKOSA-N 1 0 242.322 1.674 40 0 BDABRO CCCn1nccc1CNCC[NH+](CC)CC ZINC000159965759 387853359 /nfs/dbraw/zinc/85/33/59/387853359.db2.gz UFUZNMCYHHDGHM-UHFFFAOYSA-N 1 0 238.379 1.725 40 0 BDABRO Cc1c(C[NH2+]CCN(C)C)cnn1CC(F)F ZINC000256052066 387861173 /nfs/dbraw/zinc/86/11/73/387861173.db2.gz LUBPNGFEQFJKJL-UHFFFAOYSA-N 1 0 246.305 1.108 40 0 BDABRO CCCn1nc(C)cc1C[NH2+]CCN(C)C ZINC000256054796 387861994 /nfs/dbraw/zinc/86/19/94/387861994.db2.gz XVLOFPMPHQPQEZ-UHFFFAOYSA-N 1 0 224.352 1.253 40 0 BDABRO CCCC[C@H]1C[C@@H](O)C[N@@H+]1CCOCC ZINC000217881320 388382476 /nfs/dbraw/zinc/38/24/76/388382476.db2.gz CVWULBIVPMKHKA-NWDGAFQWSA-N 1 0 215.337 1.648 40 0 BDABRO Cc1ccc(S(=O)(=O)[C@H]2C[C@H]2C[NH3+])cc1 ZINC000217990742 388384660 /nfs/dbraw/zinc/38/46/60/388384660.db2.gz HIAPVZWFYRGYFA-ONGXEEELSA-N 1 0 225.313 1.116 40 0 BDABRO C[C@@H]1CN([C@]23C[NH2+]C[C@]24CCC[C@@H]43)C[C@@H](C)O1 ZINC000242687310 388400744 /nfs/dbraw/zinc/40/07/44/388400744.db2.gz UERGXCPSVLJPPD-DGTMBMJNSA-N 1 0 236.359 1.238 40 0 BDABRO CON(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072015382 388651854 /nfs/dbraw/zinc/65/18/54/388651854.db2.gz MYZQJOMWAANMII-CYBMUJFWSA-N 1 0 248.326 1.671 40 0 BDABRO CON(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072015381 388652087 /nfs/dbraw/zinc/65/20/87/388652087.db2.gz MYZQJOMWAANMII-ZDUSSCGKSA-N 1 0 248.326 1.671 40 0 BDABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccc(N)cc1 ZINC000252515425 388654266 /nfs/dbraw/zinc/65/42/66/388654266.db2.gz JSOMRGBZMHYPNK-NWDGAFQWSA-N 1 0 234.299 1.087 40 0 BDABRO CNc1ncc(C[NH2+]Cc2cccs2)cn1 ZINC000062717444 388655666 /nfs/dbraw/zinc/65/56/66/388655666.db2.gz ZNCVSTKNMANLFI-UHFFFAOYSA-N 1 0 234.328 1.870 40 0 BDABRO CCN1CCC[C@@H]1C[NH2+]Cc1cnc(NC)nc1 ZINC000062718407 388656231 /nfs/dbraw/zinc/65/62/31/388656231.db2.gz WMOSZVFCECTHLB-GFCCVEGCSA-N 1 0 249.362 1.092 40 0 BDABRO Cc1n[nH]c(CC[NH+]2CCCCCC2)n1 ZINC000062719482 388656558 /nfs/dbraw/zinc/65/65/58/388656558.db2.gz GEJDUSANLVRCNS-UHFFFAOYSA-N 1 0 208.309 1.532 40 0 BDABRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000079438552 388695769 /nfs/dbraw/zinc/69/57/69/388695769.db2.gz JXDZSPWVLSANIJ-RYUDHWBXSA-N 1 0 219.332 1.874 40 0 BDABRO C[C@]1(O)C[NH2+]CC[C@@H]1Oc1cccc(F)c1 ZINC000257293410 388698088 /nfs/dbraw/zinc/69/80/88/388698088.db2.gz QPJBLWDEKKDFGB-RYUDHWBXSA-N 1 0 225.263 1.317 40 0 BDABRO Cc1ccccc1OC[C@H]1C[NH2+]CCO1 ZINC000011587386 388708098 /nfs/dbraw/zinc/70/80/98/388708098.db2.gz VUMNCOIUUGRFQR-LLVKDONJSA-N 1 0 207.273 1.362 40 0 BDABRO c1cnc(N2CCC3(CC[NH2+]CC3)CC2)nc1 ZINC000003956014 132308812 /nfs/dbraw/zinc/30/88/12/132308812.db2.gz APPLLDWQZMYSRO-UHFFFAOYSA-N 1 0 232.331 1.447 40 0 BDABRO COc1cccc(N2CCC([NH3+])CC2)c1 ZINC000019487673 132325654 /nfs/dbraw/zinc/32/56/54/132325654.db2.gz SKANJFGCACBNJL-UHFFFAOYSA-N 1 0 206.289 1.623 40 0 BDABRO [NH3+]CCN1c2ccccc2SCC1=O ZINC000020533730 132331762 /nfs/dbraw/zinc/33/17/62/132331762.db2.gz HKZYDEICXLLPBH-UHFFFAOYSA-N 1 0 208.286 1.084 40 0 BDABRO c1cc(N2CC[NH2+]CC2)nc2c1CCCC2 ZINC000045354604 132354671 /nfs/dbraw/zinc/35/46/71/132354671.db2.gz OHJFBSROVXQKFQ-UHFFFAOYSA-N 1 0 217.316 1.370 40 0 in-vivo BDABRO Cc1nc([C@@H]2CCC[NH2+]2)nc2c1CCC(=O)N2C ZINC000072352948 132396453 /nfs/dbraw/zinc/39/64/53/132396453.db2.gz ZRPPUBSXLZJVKP-JTQLQIEISA-N 1 0 246.314 1.119 40 0 BDABRO CSc1nccc(N2CCCC[C@@H]2C[NH3+])n1 ZINC000072203123 132396758 /nfs/dbraw/zinc/39/67/58/132396758.db2.gz KDVYKRBHRDKKOK-SECBINFHSA-N 1 0 238.360 1.516 40 0 BDABRO C[C@@H]1C[NH2+]C[C@]12CCN(c1cccnc1)C2=O ZINC000306126911 135368648 /nfs/dbraw/zinc/36/86/48/135368648.db2.gz FIRBOVOSZAUDMF-ZWNOBZJWSA-N 1 0 231.299 1.044 40 0 BDABRO COCCn1c(N)[nH+]cc1-c1ccc(OC)cc1 ZINC000004103073 397926019 /nfs/dbraw/zinc/92/60/19/397926019.db2.gz LPAIHDYXLZLGEU-UHFFFAOYSA-N 1 0 247.298 1.787 40 0 BDABRO c1ccc(O[C@H]2C[C@@H]3C[NH2+]CCN3C2)cc1 ZINC000101186272 398036095 /nfs/dbraw/zinc/03/60/95/398036095.db2.gz STDVRIRGBVBCJE-YPMHNXCESA-N 1 0 218.300 1.112 40 0 BDABRO CC(=O)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225683858 398073286 /nfs/dbraw/zinc/07/32/86/398073286.db2.gz HHTSERYVAXVVEL-OAHLLOKOSA-N 1 0 244.338 1.666 40 0 BDABRO CCOC(=O)[C@H](N)C1([NH+](CC)CC)CCCC1 ZINC000072210550 322906289 /nfs/dbraw/zinc/90/62/89/322906289.db2.gz ZVVOEOSESUAXSR-NSHDSACASA-N 1 0 242.363 1.531 40 0 BDABRO Brc1cccnc1O[C@@H]1CC[NH2+]C1 ZINC000051868691 166103121 /nfs/dbraw/zinc/10/31/21/166103121.db2.gz UOWDFHPJLSADJC-SSDOTTSWSA-N 1 0 243.104 1.585 40 0 BDABRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([NH3+])CC2 ZINC000083050268 166658716 /nfs/dbraw/zinc/65/87/16/166658716.db2.gz LJSMXQVRQBFKNF-AEJSXWLSSA-N 1 0 226.320 1.876 40 0 BDABRO CC(C)[N@@H+]1C[C@@H]2Cc3nc(N(C)C)ncc3[C@@H]2C1 ZINC000306125605 167029726 /nfs/dbraw/zinc/02/97/26/167029726.db2.gz CVLLHMFDFRGLRS-CMPLNLGQSA-N 1 0 246.358 1.523 40 0 BDABRO CC(C)N1Cc2cncn2[C@@H](C[NH+](C)C)C1 ZINC000248125740 167035697 /nfs/dbraw/zinc/03/56/97/167035697.db2.gz ONKJSZPMQAYKCX-LBPRGKRZSA-N 1 0 222.336 1.210 40 0 BDABRO C[NH+](C)C[C@H]1COc2ccccc2[C@@H]1N ZINC000062702160 411220078 /nfs/dbraw/zinc/22/00/78/411220078.db2.gz GHGQETRMMUTEAD-JOYOIKCWSA-N 1 0 206.289 1.257 40 0 BDABRO CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000067802620 170017979 /nfs/dbraw/zinc/01/79/79/170017979.db2.gz WYPHJLKRZSTDMH-VIFPVBQESA-N 1 0 214.309 1.605 40 0 BDABRO CC[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000040538473 170128897 /nfs/dbraw/zinc/12/88/97/170128897.db2.gz NEROWDGCODLDIH-UHFFFAOYSA-N 1 0 207.199 1.548 40 0 BDABRO CCOC(=O)C12CCC(C[NH3+])(CC1)CC2 ZINC000238302282 170191272 /nfs/dbraw/zinc/19/12/72/170191272.db2.gz JXFTXLWNHHCISJ-UHFFFAOYSA-N 1 0 211.305 1.849 40 0 BDABRO CCOC(=O)C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000032599466 170230511 /nfs/dbraw/zinc/23/05/11/170230511.db2.gz NQWCYWVPXINZJV-NSHDSACASA-N 1 0 229.320 1.296 40 0 BDABRO CCOC(=O)[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000001710341 170256069 /nfs/dbraw/zinc/25/60/69/170256069.db2.gz GQEDVMVEVIKYGN-GXSJLCMTSA-N 1 0 207.273 1.681 40 0 BDABRO CCOC(=O)c1cccc(NC(=O)CC[NH3+])c1 ZINC000008732989 170298756 /nfs/dbraw/zinc/29/87/56/170298756.db2.gz ZLRRUMQPAHEPPP-UHFFFAOYSA-N 1 0 236.271 1.151 40 0 BDABRO CCOCCC[NH2+]CC1CCOCC1 ZINC000052171926 170381010 /nfs/dbraw/zinc/38/10/10/170381010.db2.gz QSUMATBNLGOSKG-UHFFFAOYSA-N 1 0 201.310 1.429 40 0 BDABRO CCOCCC[NH2+]Cc1cnn(CC)c1 ZINC000050539436 170381340 /nfs/dbraw/zinc/38/13/40/170381340.db2.gz SAQITYCWPYJUBF-UHFFFAOYSA-N 1 0 211.309 1.419 40 0 BDABRO CCOCCC[NH2+]Cc1ccnn1CC ZINC000096033622 170381900 /nfs/dbraw/zinc/38/19/00/170381900.db2.gz IZPYNKCRNOKOPZ-UHFFFAOYSA-N 1 0 211.309 1.419 40 0 BDABRO CCO[C@@H](C[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000062711563 170478092 /nfs/dbraw/zinc/47/80/92/170478092.db2.gz NQFQMZOCSPDRRQ-ZDUSSCGKSA-N 1 0 237.299 1.755 40 0 BDABRO CCO[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000062711893 170478688 /nfs/dbraw/zinc/47/86/88/170478688.db2.gz URLHMZDLAUWGOM-LBPRGKRZSA-N 1 0 223.272 1.494 40 0 BDABRO CCOc1cccc([C@H]2C[NH2+]C[C@H]2CO)c1 ZINC000098089108 170586423 /nfs/dbraw/zinc/58/64/23/170586423.db2.gz NCURIUZGZLBULX-WCQYABFASA-N 1 0 221.300 1.381 40 0 BDABRO Cc1nc(NCCCOC(C)C)cc(N)[nH+]1 ZINC000383560712 411760328 /nfs/dbraw/zinc/76/03/28/411760328.db2.gz SVGUPAJNCFFPCS-UHFFFAOYSA-N 1 0 224.308 1.594 40 0 BDABRO CCc1noc(-c2cc([C@@H]3CCC[NH2+]C3)[nH]n2)n1 ZINC000096516113 172071398 /nfs/dbraw/zinc/07/13/98/172071398.db2.gz LUEYNLPTAFLMIE-MRVPVSSYSA-N 1 0 247.302 1.489 40 0 BDABRO CCn1c2ccccc2nc1NC[C@H](C)O ZINC000000513522 172146023 /nfs/dbraw/zinc/14/60/23/172146023.db2.gz DDPMLFJNQIKAIJ-VIFPVBQESA-N 1 0 219.288 1.849 40 0 BDABRO CCn1ncc(C[NH2+]CCCOC(C)C)c1F ZINC000256051121 172255088 /nfs/dbraw/zinc/25/50/88/172255088.db2.gz HURZGKBHCXWCOS-UHFFFAOYSA-N 1 0 243.326 1.947 40 0 BDABRO CCn1nccc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000096511454 172256331 /nfs/dbraw/zinc/25/63/31/172256331.db2.gz ZQVOZNLKISRYFI-MRVPVSSYSA-N 1 0 233.275 1.378 40 0 BDABRO CN(C(=O)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000077464331 172333735 /nfs/dbraw/zinc/33/37/35/172333735.db2.gz UKLHIRLHIBDAHL-LLVKDONJSA-N 1 0 222.263 1.541 40 0 BDABRO C[NH+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000021300442 172486454 /nfs/dbraw/zinc/48/64/54/172486454.db2.gz SVFCKPUIJBZBQS-JTQLQIEISA-N 1 0 228.336 1.805 40 0 BDABRO CN(Cc1cc(Cl)ccc1Cl)C(=O)C[NH3+] ZINC000079420215 172840694 /nfs/dbraw/zinc/84/06/94/172840694.db2.gz DQRAZZBVUJWJOZ-UHFFFAOYSA-N 1 0 247.125 1.911 40 0 BDABRO CN1c2ccc(F)cc2C2(CC[NH+](C)CC2)C1=O ZINC000098193335 173001444 /nfs/dbraw/zinc/00/14/44/173001444.db2.gz PDIDSDLQWSJZJI-UHFFFAOYSA-N 1 0 248.301 1.766 40 0 BDABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000078578402 173039904 /nfs/dbraw/zinc/03/99/04/173039904.db2.gz ANFLHQKSOITLTO-NSHDSACASA-N 1 0 218.300 1.967 40 0 BDABRO C[N@@H+]1CCC[C@H](c2nccnc2-n2ccnc2)C1 ZINC000072350490 173048686 /nfs/dbraw/zinc/04/86/86/173048686.db2.gz FYLHNAPUXRZQEA-NSHDSACASA-N 1 0 243.314 1.472 40 0 BDABRO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000005921189 173051476 /nfs/dbraw/zinc/05/14/76/173051476.db2.gz MBYHXRROGKESQT-NSHDSACASA-N 1 0 204.273 1.719 40 0 BDABRO C[NH2+]C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000037240658 173323068 /nfs/dbraw/zinc/32/30/68/173323068.db2.gz LOUNXYDDRUSYSK-UHFFFAOYSA-N 1 0 234.343 1.879 40 0 BDABRO CNc1cccc([C@@H]2CCC[N@@H+]2CCO)n1 ZINC000072381341 173481637 /nfs/dbraw/zinc/48/16/37/173481637.db2.gz RRTIGWSJIGOGMS-NSHDSACASA-N 1 0 221.304 1.253 40 0 BDABRO COC(=O)c1cccc(CN2CC[NH2+]C[C@H]2C)c1 ZINC000039952488 173893939 /nfs/dbraw/zinc/89/39/39/173893939.db2.gz VZTRZUHQVWHAKU-LLVKDONJSA-N 1 0 248.326 1.267 40 0 BDABRO COCC(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005743036 174062458 /nfs/dbraw/zinc/06/24/58/174062458.db2.gz HFNRVGNQFRTRRF-VXGBXAGGSA-N 1 0 241.331 1.441 40 0 BDABRO COCC[N@@H+]1CC[C@H](Cc2ccc(C)cn2)C1 ZINC000072381574 174314893 /nfs/dbraw/zinc/31/48/93/174314893.db2.gz MYHSIINILPTVAP-CYBMUJFWSA-N 1 0 234.343 1.901 40 0 BDABRO COCC[NH2+]Cc1ccc(CC(C)C)[nH]1 ZINC000226019883 174336138 /nfs/dbraw/zinc/33/61/38/174336138.db2.gz PLTUVADMZZVOCF-UHFFFAOYSA-N 1 0 210.321 1.949 40 0 BDABRO COCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000019881438 174338042 /nfs/dbraw/zinc/33/80/42/174338042.db2.gz GEJBKPXBIKPHLU-JTQLQIEISA-N 1 0 209.289 1.992 40 0 BDABRO COCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000019881442 174339995 /nfs/dbraw/zinc/33/99/95/174339995.db2.gz GEJBKPXBIKPHLU-SNVBAGLBSA-N 1 0 209.289 1.992 40 0 BDABRO COCCO[C@@H]1C[NH2+][C@H](CC(C)C)C1 ZINC000217864880 174366095 /nfs/dbraw/zinc/36/60/95/174366095.db2.gz JGNBTESGAWQZKP-MNOVXSKESA-N 1 0 201.310 1.426 40 0 BDABRO COCc1cc(C[C@@H]2C[C@H]([NH3+])C2(C)C)no1 ZINC000077262265 174619504 /nfs/dbraw/zinc/61/95/04/174619504.db2.gz FZTCMJXBIGUGGC-KCJUWKMLSA-N 1 0 224.304 1.737 40 0 biogenic,in-vitro BDABRO COc1c(C)c(C)ccc1CNCC[NH3+] ZINC000095094950 174927645 /nfs/dbraw/zinc/92/76/45/174927645.db2.gz YKUPLYRRSCXCDH-UHFFFAOYSA-N 1 0 208.305 1.360 40 0 BDABRO COc1cc(NC2CC[NH2+]CC2)ccn1 ZINC000098213763 175001780 /nfs/dbraw/zinc/00/17/80/175001780.db2.gz NJNPEEMTHHKSAQ-UHFFFAOYSA-N 1 0 207.277 1.254 40 0 BDABRO COc1cc2cccnc2c(NCC[NH3+])c1 ZINC000001656117 175002794 /nfs/dbraw/zinc/00/27/94/175002794.db2.gz DNICMPQJBWHSCZ-UHFFFAOYSA-N 1 0 217.272 1.614 40 0 BDABRO COc1cc(OC)c([C@@H]2C[C@@H]2[NH3+])c(OC)c1 ZINC000037381184 175007946 /nfs/dbraw/zinc/00/79/46/175007946.db2.gz PSZZKLQZWAAUIU-BDAKNGLRSA-N 1 0 223.272 1.527 40 0 BDABRO COc1cc(OC)cc([C@H](C[NH3+])N(C)C)c1 ZINC000019840954 175011501 /nfs/dbraw/zinc/01/15/01/175011501.db2.gz PNLALFCIGYSPLK-LBPRGKRZSA-N 1 0 224.304 1.265 40 0 BDABRO COc1ccc(C)cc1C[NH2+]C[C@H](C)O ZINC000035161900 175076391 /nfs/dbraw/zinc/07/63/91/175076391.db2.gz JYAUCPKQAMDYSO-JTQLQIEISA-N 1 0 209.289 1.474 40 0 BDABRO COc1ccc(C2=NOC3(CC[NH2+]CC3)N2)cc1 ZINC000096517307 175084995 /nfs/dbraw/zinc/08/49/95/175084995.db2.gz AKFXECHDUWXXFZ-UHFFFAOYSA-N 1 0 247.298 1.056 40 0 BDABRO COc1ccc(CCCN2CC[C@H]([NH3+])C2)cc1 ZINC000096523485 175089877 /nfs/dbraw/zinc/08/98/77/175089877.db2.gz LOPALQJPUHTKSZ-ZDUSSCGKSA-N 1 0 234.343 1.661 40 0 BDABRO COc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000095067833 175110375 /nfs/dbraw/zinc/11/03/75/175110375.db2.gz JQNQYLNDYXRZOM-GFCCVEGCSA-N 1 0 220.316 1.537 40 0 BDABRO COc1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000218872202 175110470 /nfs/dbraw/zinc/11/04/70/175110470.db2.gz QSSMZORTYZYQMX-CHWSQXEVSA-N 1 0 220.316 1.665 40 0 BDABRO COc1ccc(Cl)cc1[C@@](C)(O)C[NH3+] ZINC000036159311 175123426 /nfs/dbraw/zinc/12/34/26/175123426.db2.gz JVLJDKZGXSGSTO-JTQLQIEISA-N 1 0 215.680 1.515 40 0 BDABRO COc1ccc(N2C[C@@]3(CC[NH2+]C3)CC2=O)cc1 ZINC000096238969 175139869 /nfs/dbraw/zinc/13/98/69/175139869.db2.gz KAUTWTYZWIJYKM-AWEZNQCLSA-N 1 0 246.310 1.412 40 0 BDABRO COc1ccc(N[C@H]2CCC[C@H]2[NH3+])c(OC)c1 ZINC000218877323 175155401 /nfs/dbraw/zinc/15/54/01/175155401.db2.gz IBZZGXWTOISVDD-MNOVXSKESA-N 1 0 236.315 1.996 40 0 BDABRO COc1ccc([C@@H]2CC(N)=[NH+]N2C)cc1 ZINC000222547163 175182309 /nfs/dbraw/zinc/18/23/09/175182309.db2.gz VGMSYGPZBZMYFP-JTQLQIEISA-N 1 0 205.261 1.344 40 0 BDABRO COc1ccc([C@@H]2CN(C)C[C@H]2[NH3+])cc1OC ZINC000082331250 175183823 /nfs/dbraw/zinc/18/38/23/175183823.db2.gz IKTSEWAJPWGXLC-WDEREUQCSA-N 1 0 236.315 1.060 40 0 BDABRO COc1ccc2c(c1)CCC[C@H]([NH3+])[C@@H]2O ZINC000008699477 175208133 /nfs/dbraw/zinc/20/81/33/175208133.db2.gz NRISILHIRDWJME-NWDGAFQWSA-N 1 0 207.273 1.392 40 0 BDABRO COc1ccc2c(c1)[C@]1(C[C@@H]1[NH3+])CCO2 ZINC000218686988 175214944 /nfs/dbraw/zinc/21/49/44/175214944.db2.gz QPSANWIUZNLNLW-NWDGAFQWSA-N 1 0 205.257 1.447 40 0 BDABRO COc1ccc2c(c1)[C@]1(C[C@H]1C[NH3+])CCO2 ZINC000218686817 175215030 /nfs/dbraw/zinc/21/50/30/175215030.db2.gz QMZABYYYCUVKLH-ZANVPECISA-N 1 0 219.284 1.694 40 0 BDABRO COc1ccc2c(c1OC)CCO[C@H]2C[NH3+] ZINC000082291136 175222041 /nfs/dbraw/zinc/22/20/41/175222041.db2.gz MLQMEPWUOQUKCM-NSHDSACASA-N 1 0 223.272 1.276 40 0 BDABRO COc1cccc(-c2nnc([C@H](C)[NH3+])[nH]2)c1 ZINC000061843964 175236661 /nfs/dbraw/zinc/23/66/61/175236661.db2.gz JUDRZEHOURQZJC-ZETCQYMHSA-N 1 0 218.260 1.500 40 0 BDABRO COc1cccc(OC[C@H]2CCC[NH2+]2)c1 ZINC000043496469 175284166 /nfs/dbraw/zinc/28/41/66/175284166.db2.gz OYCRGQUKCYUSFQ-SNVBAGLBSA-N 1 0 207.273 1.826 40 0 BDABRO COc1ccccc1-c1cc(C[NH3+])no1 ZINC000020270369 175308860 /nfs/dbraw/zinc/30/88/60/175308860.db2.gz SHYNWYBMHDRBQK-UHFFFAOYSA-N 1 0 204.229 1.809 40 0 BDABRO COc1ccccc1-n1cccc1C[NH3+] ZINC000023993769 175313160 /nfs/dbraw/zinc/31/31/60/175313160.db2.gz MTOIUXCEXSSAOX-UHFFFAOYSA-N 1 0 202.257 1.945 40 0 BDABRO COc1ccccc1CN(CC[NH3+])C1CC1 ZINC000032013707 175326531 /nfs/dbraw/zinc/32/65/31/175326531.db2.gz BGHVVWIIXYKGEY-UHFFFAOYSA-N 1 0 220.316 1.618 40 0 BDABRO COc1ccccc1CNC1CC[NH2+]CC1 ZINC000038040493 175329266 /nfs/dbraw/zinc/32/92/66/175329266.db2.gz AEFBWDCWTXVDSN-UHFFFAOYSA-N 1 0 220.316 1.537 40 0 BDABRO C[C@@H](C[NH2+]CCN(C)C)C(=O)OC(C)(C)C ZINC000047219058 175731391 /nfs/dbraw/zinc/73/13/91/175731391.db2.gz CAOMKFBBJBUIGT-JTQLQIEISA-N 1 0 230.352 1.115 40 0 BDABRO C[C@@H]([C@@H]([NH3+])c1cccc(F)c1)S(C)(=O)=O ZINC000096524789 176010986 /nfs/dbraw/zinc/01/09/86/176010986.db2.gz JBWUTPYLRAAHBX-OIBJUYFYSA-N 1 0 231.292 1.259 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)/C=C/c1ccccc1 ZINC000054370065 176325357 /nfs/dbraw/zinc/32/53/57/176325357.db2.gz KYHWGZIOFZRZHA-ABZNLYFFSA-N 1 0 230.311 1.520 40 0 BDABRO C[C@@H]1C[NH2+]CCN1CCOc1ccccc1 ZINC000054371925 176326523 /nfs/dbraw/zinc/32/65/23/176326523.db2.gz ISQWTMVXBMKLQW-GFCCVEGCSA-N 1 0 220.316 1.359 40 0 BDABRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)OC(C)(C)C ZINC000107249004 176367661 /nfs/dbraw/zinc/36/76/61/176367661.db2.gz OMYUWTDLNUMEGX-BDAKNGLRSA-N 1 0 214.309 1.591 40 0 BDABRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)C[NH3+] ZINC000038101360 177034913 /nfs/dbraw/zinc/03/49/13/177034913.db2.gz PFRAPOXSOCWRRO-MRVPVSSYSA-N 1 0 226.707 1.818 40 0 BDABRO C[C@H](c1ccccn1)N(CC[NH3+])C1CC1 ZINC000079421760 177043614 /nfs/dbraw/zinc/04/36/14/177043614.db2.gz DBWCPHOHJSCLQA-SNVBAGLBSA-N 1 0 205.305 1.566 40 0 BDABRO C[C@H]1C[NH+](C[C@H](O)COC(C)(C)C)C[C@H](C)O1 ZINC000035092970 177259166 /nfs/dbraw/zinc/25/91/66/177259166.db2.gz FDYNXVJAZKQTGN-SRVKXCTJSA-N 1 0 245.363 1.272 40 0 BDABRO C[C@H]1Cc2ccc(OCC[NH+](C)C)cc2[C@H]1O ZINC000001668188 177389768 /nfs/dbraw/zinc/38/97/68/177389768.db2.gz CEOBYMIETDTWSK-HZMBPMFUSA-N 1 0 235.327 1.853 40 0 BDABRO COc1ccc(Cn2cncc2C[NH3+])cc1 ZINC000076646305 487838555 /nfs/dbraw/zinc/83/85/55/487838555.db2.gz VQAKEWICTQBFLX-UHFFFAOYSA-N 1 0 217.272 1.399 40 0 BDABRO Cc1nc[nH]c(=O)c1C[NH+]1CCCCC1 ZINC000062701985 323091017 /nfs/dbraw/zinc/09/10/17/323091017.db2.gz OEDBTGYSWSJWGD-UHFFFAOYSA-N 1 0 207.277 1.064 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]C=C[C@@H]21 ZINC000228931799 518812865 /nfs/dbraw/zinc/81/28/65/518812865.db2.gz FHYMBTSBUBUOJC-IUCAKERBSA-N 1 0 210.277 1.481 40 0 BDABRO C[C@@H]([NH3+])COc1nn(C)c2ccccc21 ZINC000225774503 524998370 /nfs/dbraw/zinc/99/83/70/524998370.db2.gz CSIDZTFIVQEZOW-MRVPVSSYSA-N 1 0 205.261 1.299 40 0 BDABRO O=C(C[NH2+]C[C@H]1CCCO1)NC1CCCCC1 ZINC000004969092 526882198 /nfs/dbraw/zinc/88/21/98/526882198.db2.gz UBSNLLPRSGPHQP-GFCCVEGCSA-N 1 0 240.347 1.204 40 0 BDABRO [NH3+][C@@H]1C[C@H](C(F)(F)F)C[C@H]2OCC[C@H]21 ZINC000242538743 527375606 /nfs/dbraw/zinc/37/56/06/527375606.db2.gz JDVVYQROBUQBAO-RULNZFCNSA-N 1 0 209.211 1.691 40 0 BDABRO NNC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000199533667 398264734 /nfs/dbraw/zinc/26/47/34/398264734.db2.gz MSDSYWUJPBCDLA-CYBMUJFWSA-N 1 0 219.332 1.504 40 0 BDABRO C[C@@H](CC(=O)N1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000072208222 259315355 /nfs/dbraw/zinc/31/53/55/259315355.db2.gz CQIWEMXKIGUBDA-NWDGAFQWSA-N 1 0 240.347 1.014 40 0 BDABRO CCOC(=O)[C@@H](CN)[C@H](C(C)C)[NH+](CC)CC ZINC000072210497 259316865 /nfs/dbraw/zinc/31/68/65/259316865.db2.gz GBNKWVMMVXFDQT-RYUDHWBXSA-N 1 0 244.379 1.491 40 0 BDABRO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1cccnc1 ZINC000001591222 342704933 /nfs/dbraw/zinc/70/49/33/342704933.db2.gz DVQVJRFKIRFPAA-CYBMUJFWSA-N 1 0 241.294 1.590 40 0 BDABRO O=S1(=O)C[C@]2(N3CCCCC3)CCCC[C@H]21 ZINC000001725412 342711488 /nfs/dbraw/zinc/71/14/88/342711488.db2.gz OOLYUTFOHFXSLT-VXGBXAGGSA-N 1 0 243.372 1.582 40 0 BDABRO Cn1cc(C[NH2+]Cc2ccc(F)cc2)cn1 ZINC000002536043 342723139 /nfs/dbraw/zinc/72/31/39/342723139.db2.gz YZHWFPAIKFCNCX-UHFFFAOYSA-N 1 0 219.263 1.849 40 0 BDABRO CC(C)Oc1cccc(CNCC[NH3+])c1 ZINC000041043337 259318245 /nfs/dbraw/zinc/31/82/45/259318245.db2.gz KAAAKOOLJLTOGG-UHFFFAOYSA-N 1 0 208.305 1.522 40 0 BDABRO CC[NH2+]CCn1ncc([C@H](C)OC)c1C ZINC000072219906 259319096 /nfs/dbraw/zinc/31/90/96/259319096.db2.gz AFKVXLFHRJVHKX-JTQLQIEISA-N 1 0 211.309 1.508 40 0 BDABRO Cc1nc(C)c(COC[C@H]2CC[NH2+]C2)s1 ZINC000585144099 398284017 /nfs/dbraw/zinc/28/40/17/398284017.db2.gz BRTJYMKRERYGIO-JTQLQIEISA-N 1 0 226.345 1.886 40 0 BDABRO COc1cc(C[C@@H](C)[NH3+])c(OC)cc1C ZINC000005765126 342769812 /nfs/dbraw/zinc/76/98/12/342769812.db2.gz NTJQREUGJKIARY-SECBINFHSA-N 1 0 209.289 1.902 40 0 in-man BDABRO C[NH2+]CCN1CCO[C@@H](c2ccccc2)C1 ZINC000072220376 259319603 /nfs/dbraw/zinc/31/96/03/259319603.db2.gz XDEIKBZVVFWWRM-CYBMUJFWSA-N 1 0 220.316 1.279 40 0 BDABRO C[C@@H]([NH3+])c1ccc(OCC(F)F)nc1 ZINC000126860257 342786014 /nfs/dbraw/zinc/78/60/14/342786014.db2.gz PCGLOQBIDPTHMN-ZCFIWIBFSA-N 1 0 202.204 1.745 40 0 BDABRO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1CF ZINC000016697163 342914458 /nfs/dbraw/zinc/91/44/58/342914458.db2.gz WSZMTMVUMXXGHQ-MRVPVSSYSA-N 1 0 218.272 1.165 40 0 BDABRO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1CF ZINC000016697161 342914477 /nfs/dbraw/zinc/91/44/77/342914477.db2.gz WSZMTMVUMXXGHQ-QMMMGPOBSA-N 1 0 218.272 1.165 40 0 BDABRO NN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000019167085 342942987 /nfs/dbraw/zinc/94/29/87/342942987.db2.gz GHKWIACKPFWDCZ-UHFFFAOYSA-N 1 0 205.305 1.068 40 0 BDABRO Nc1ccc(NCc2ccc(F)cc2)[nH+]c1N ZINC000022009505 343034645 /nfs/dbraw/zinc/03/46/45/343034645.db2.gz ZLHRVQMESYQDOQ-UHFFFAOYSA-N 1 0 232.262 1.997 40 0 BDABRO CC(C)c1cc(CN2CCC([NH3+])CC2)no1 ZINC000012398763 343094522 /nfs/dbraw/zinc/09/45/22/343094522.db2.gz FSFLPJMJNFUGEA-UHFFFAOYSA-N 1 0 223.320 1.721 40 0 BDABRO COC(=O)[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000035133350 343285787 /nfs/dbraw/zinc/28/57/87/343285787.db2.gz BKFQOFXANZLMRR-GMTAPVOTSA-N 1 0 213.321 1.964 40 0 BDABRO COC(=O)C[C@H](C)[NH2+]Cc1ccccn1 ZINC000035748423 343303332 /nfs/dbraw/zinc/30/33/32/343303332.db2.gz QVNMELJMEQIBIR-VIFPVBQESA-N 1 0 208.261 1.123 40 0 BDABRO CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)[NH3+] ZINC000037815904 343315227 /nfs/dbraw/zinc/31/52/27/343315227.db2.gz MRBSGPGJRVDZQM-JTQLQIEISA-N 1 0 236.315 1.391 40 0 BDABRO Cn1cc[n+](C(F)(F)C2(O)CCCCC2)c1 ZINC000043879544 343486415 /nfs/dbraw/zinc/48/64/15/343486415.db2.gz MGFLJCSMRYGPAY-UHFFFAOYSA-N 1 0 231.266 1.557 40 0 BDABRO C[C@@]1(NC(=O)OCc2ccccc2)CC[NH2+]C1 ZINC000059912945 343714009 /nfs/dbraw/zinc/71/40/09/343714009.db2.gz RHHCLMKILIIQLR-CYBMUJFWSA-N 1 0 234.299 1.665 40 0 BDABRO CCN(Cc1cccnc1)C[C@H]1CCC[NH2+]1 ZINC000096511171 343756593 /nfs/dbraw/zinc/75/65/93/343756593.db2.gz FHSLQNOUWQAVMY-CYBMUJFWSA-N 1 0 219.332 1.656 40 0 BDABRO CCN(Cc1cnn(CC)c1)C[C@@H]1CCC[NH2+]1 ZINC000096523696 343758418 /nfs/dbraw/zinc/75/84/18/343758418.db2.gz YGGVOPPPCGCKLB-ZDUSSCGKSA-N 1 0 236.363 1.477 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2cn3ccccc3n2)C1 ZINC000041029872 343784413 /nfs/dbraw/zinc/78/44/13/343784413.db2.gz QHMHLVLAIGTQKA-LLVKDONJSA-N 1 0 230.315 1.257 40 0 BDABRO [NH3+]CCCn1cc(-c2ccccn2)cn1 ZINC000379825039 343795891 /nfs/dbraw/zinc/79/58/91/343795891.db2.gz WELXJQFXBZFMQZ-UHFFFAOYSA-N 1 0 202.261 1.294 40 0 BDABRO [NH3+][C@@H](CC(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000019440017 347019512 /nfs/dbraw/zinc/01/95/12/347019512.db2.gz DMZJZKJDHOFBDB-OLZOCXBDSA-N 1 0 248.326 1.372 40 0 BDABRO CC(C)C[N@@H+]1CCC[C@@]2(CN(C(C)C)C2=O)C1 ZINC000585099283 344132094 /nfs/dbraw/zinc/13/20/94/344132094.db2.gz BCUIAMQGQDLEBM-AWEZNQCLSA-N 1 0 238.375 1.975 40 0 BDABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccncc3)C2)O1 ZINC000585283869 344401889 /nfs/dbraw/zinc/40/18/89/344401889.db2.gz PIYWKRFLZOHSFV-AWEZNQCLSA-N 1 0 246.310 1.753 40 0 BDABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH3+])C[C@@H]1F ZINC000238183046 344984724 /nfs/dbraw/zinc/98/47/24/344984724.db2.gz VYORQYIYWDBGCN-CIUDSAMLSA-N 1 0 232.299 1.729 40 0 BDABRO Cc1ccc(OC[C@H](O)C[NH2+]C2CC2)cc1 ZINC000032013892 178815196 /nfs/dbraw/zinc/81/51/96/178815196.db2.gz KBIBJYVJLZKCSO-GFCCVEGCSA-N 1 0 221.300 1.487 40 0 BDABRO Cc1ccc2c(=O)c3c(n(C)c2c1C)CC[NH2+]C3 ZINC000072221282 178937743 /nfs/dbraw/zinc/93/77/43/178937743.db2.gz VFEZZRORKOBCPV-UHFFFAOYSA-N 1 0 242.322 1.801 40 0 BDABRO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000082305618 179087148 /nfs/dbraw/zinc/08/71/48/179087148.db2.gz IEZHTOJVCOKYFA-CQSZACIVSA-N 1 0 246.354 1.953 40 0 BDABRO CO[n+]1ccccc1Cc1ccccc1 ZINC000001763700 346469382 /nfs/dbraw/zinc/46/93/82/346469382.db2.gz LGTJCWMQVNVRKA-UHFFFAOYSA-N 1 0 200.261 1.623 40 0 BDABRO Cc1cccc(CO[C@H]2CCOC3(C[NH2+]C3)C2)n1 ZINC000247874908 179103312 /nfs/dbraw/zinc/10/33/12/179103312.db2.gz NOEBKWFTSHKUIS-ZDUSSCGKSA-N 1 0 248.326 1.428 40 0 BDABRO Cc1cccc(N2C[C@@]3(CC[NH2+]C3)CC2=O)c1 ZINC000306138928 179123844 /nfs/dbraw/zinc/12/38/44/179123844.db2.gz SLAWILVRDDLWDF-AWEZNQCLSA-N 1 0 230.311 1.711 40 0 BDABRO CC(C)CNC(=O)CN1Cc2ccccc2C1 ZINC000006326323 346648951 /nfs/dbraw/zinc/64/89/51/346648951.db2.gz RKKWCUGFSQOYIY-UHFFFAOYSA-N 1 0 232.327 1.774 40 0 BDABRO CC[NH+](CC)CC(=O)Nc1ccc(C)cc1N ZINC000008703607 346682215 /nfs/dbraw/zinc/68/22/15/346682215.db2.gz TXPTXXSEIXLGEC-UHFFFAOYSA-N 1 0 235.331 1.858 40 0 BDABRO Cc1ccc(N)cc1NC(=O)C[NH+]1CCCC1 ZINC000008703598 346682277 /nfs/dbraw/zinc/68/22/77/346682277.db2.gz QHBOSGUEGYICEG-UHFFFAOYSA-N 1 0 233.315 1.612 40 0 BDABRO CO[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000016158195 347167645 /nfs/dbraw/zinc/16/76/45/347167645.db2.gz OJYYVIVMIWTFGH-NWDGAFQWSA-N 1 0 209.264 1.918 40 0 BDABRO Cc1cccc([C@@]2(C(=O)N(C)C)CCC[NH2+]2)n1 ZINC000072344394 179191381 /nfs/dbraw/zinc/19/13/81/179191381.db2.gz XIWUEVSGFWJUNY-CYBMUJFWSA-N 1 0 233.315 1.057 40 0 BDABRO c1ccc2cc([C@@H]3C[NH2+]CCO3)ncc2c1 ZINC000019399727 347321729 /nfs/dbraw/zinc/32/17/29/347321729.db2.gz BLWDMBRPRYRJMF-ZDUSSCGKSA-N 1 0 214.268 1.896 40 0 BDABRO Cc1ccccc1-n1ncc2c1nc[nH+]c2NN ZINC000040217213 179242545 /nfs/dbraw/zinc/24/25/45/179242545.db2.gz VDNWCYNTHAKLDR-UHFFFAOYSA-N 1 0 240.270 1.410 40 0 BDABRO Cc1ccccc1CN(C(=O)C[NH3+])C1CC1 ZINC000032013290 179267453 /nfs/dbraw/zinc/26/74/53/179267453.db2.gz YWJYQDVZLYOGOA-UHFFFAOYSA-N 1 0 218.300 1.445 40 0 BDABRO Cc1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]21 ZINC000096054112 179277125 /nfs/dbraw/zinc/27/71/25/179277125.db2.gz RCLLZSGWBBWXJG-GXTWGEPZSA-N 1 0 216.328 1.789 40 0 BDABRO C[C@@H]([NH3+])C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000036827044 347873335 /nfs/dbraw/zinc/87/33/35/347873335.db2.gz YGQOSTJHICZNQM-MXWKQRLJSA-N 1 0 210.321 1.515 40 0 BDABRO Nc1ncc(C[NH2+]CCc2ccccc2F)cn1 ZINC000062717377 259407024 /nfs/dbraw/zinc/40/70/24/259407024.db2.gz COSPUESUMLUWND-UHFFFAOYSA-N 1 0 246.289 1.530 40 0 BDABRO CCSc1ncc(C[NH2+]CCOC)cn1 ZINC000062717312 259406962 /nfs/dbraw/zinc/40/69/62/259406962.db2.gz RRBVOWVYDIQDHR-UHFFFAOYSA-N 1 0 227.333 1.325 40 0 BDABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[NH2+]2)n1 ZINC000257244126 179871264 /nfs/dbraw/zinc/87/12/64/179871264.db2.gz IJYLPKCHLCIBCV-SECBINFHSA-N 1 0 229.287 1.600 40 0 BDABRO C[NH2+][C@H](C)[C@@H](OC(C)=O)c1ccccc1 ZINC000032196120 259409499 /nfs/dbraw/zinc/40/94/99/259409499.db2.gz WCDSTFHSWVDGPD-BXKDBHETSA-N 1 0 207.273 1.899 40 0 BDABRO Cc1nc([C@H]([NH3+])Cc2ccccc2)nn1C ZINC000082369643 180052444 /nfs/dbraw/zinc/05/24/44/180052444.db2.gz QPMCMTGSLDRROB-LLVKDONJSA-N 1 0 216.288 1.366 40 0 BDABRO CCN(CC)CC[NH2+]C[C@H]1CCCOC1 ZINC000038045935 350303514 /nfs/dbraw/zinc/30/35/14/350303514.db2.gz RPEIOYHLXUHADF-GFCCVEGCSA-N 1 0 214.353 1.344 40 0 BDABRO [NH3+][C@@H](CO)c1ccc(F)c(Br)c1 ZINC000038124659 350307020 /nfs/dbraw/zinc/30/70/20/350307020.db2.gz ZPXDVXWASIRRFV-QMMMGPOBSA-N 1 0 234.068 1.580 40 0 BDABRO Nc1cc(SCc2cccnc2)[nH+]c(N)n1 ZINC000000125124 191117094 /nfs/dbraw/zinc/11/70/94/191117094.db2.gz GJKAOMKYXXLCRP-UHFFFAOYSA-N 1 0 233.300 1.328 40 0 BDABRO COc1ccccc1[C@H]1CN(C(C)=O)CCN1 ZINC000211217062 351120358 /nfs/dbraw/zinc/12/03/58/351120358.db2.gz GMNWHMJRYFBQOV-GFCCVEGCSA-N 1 0 234.299 1.188 40 0 BDABRO CC(C)[C@@H]([NH3+])c1nnc(-c2ccncc2)[nH]1 ZINC000095534695 187800415 /nfs/dbraw/zinc/80/04/15/187800415.db2.gz JXPRZUKVDIHMPL-SECBINFHSA-N 1 0 217.276 1.523 40 0 BDABRO COc1ccc(C[NH+]2C[C@H]3COC[C@@H]3C2)cc1 ZINC000096054908 187801339 /nfs/dbraw/zinc/80/13/39/187801339.db2.gz SLBHJOUWXGWGCR-STQMWFEESA-N 1 0 233.311 1.773 40 0 BDABRO CC(C)C[NH+]1C[C@H]2CN(C(=O)C(C)C)C[C@@H]2C1 ZINC000063528473 353600048 /nfs/dbraw/zinc/60/00/48/353600048.db2.gz XXWGTRUIMCWJKX-STQMWFEESA-N 1 0 238.375 1.689 40 0 BDABRO NC(=[NH2+])SCc1nc(-c2cccs2)no1 ZINC000083589055 181192909 /nfs/dbraw/zinc/19/29/09/181192909.db2.gz LXUHAOCVCOAMFM-UHFFFAOYSA-N 1 0 240.313 1.925 40 0 BDABRO CC[N@@H+]1CCC[C@H](Nc2ncccc2N)C1 ZINC000049193285 355960037 /nfs/dbraw/zinc/96/00/37/355960037.db2.gz JFOUONBEBZLARB-JTQLQIEISA-N 1 0 220.320 1.560 40 0 BDABRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCO1 ZINC000054602957 363506784 /nfs/dbraw/zinc/50/67/84/363506784.db2.gz KXTBITIYTIQPMO-UMNHJUIQSA-N 1 0 209.289 1.361 40 0 BDABRO CC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000006440082 356668274 /nfs/dbraw/zinc/66/82/74/356668274.db2.gz KPWWZNXTPVTMJE-NEPJUHHUSA-N 1 0 223.316 1.814 40 0 BDABRO Clc1ncc(CN2CC[NH2+]CC2)s1 ZINC000040434246 357022862 /nfs/dbraw/zinc/02/28/62/357022862.db2.gz WHEZTGGFMJRPIH-UHFFFAOYSA-N 1 0 217.725 1.202 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccc1C ZINC000067173358 359025391 /nfs/dbraw/zinc/02/53/91/359025391.db2.gz DXKKIJWBEMULEW-NWDGAFQWSA-N 1 0 219.284 1.471 40 0 BDABRO O[C@@]1(COc2ccccc2)CCC[NH2+]C1 ZINC000039645685 361061684 /nfs/dbraw/zinc/06/16/84/361061684.db2.gz QTCCAWZJVSBZDK-LBPRGKRZSA-N 1 0 207.273 1.180 40 0 BDABRO [NH3+]CC(=O)N(Cc1cnc(Cl)s1)C1CC1 ZINC000079422103 181348648 /nfs/dbraw/zinc/34/86/48/181348648.db2.gz XDSSLKRHQMYLPL-UHFFFAOYSA-N 1 0 245.735 1.246 40 0 BDABRO [NH3+]CC(=O)NCc1cccc(Cl)c1Cl ZINC000079420817 181353893 /nfs/dbraw/zinc/35/38/93/181353893.db2.gz YYJSZKPKTCEZFL-UHFFFAOYSA-N 1 0 233.098 1.568 40 0 BDABRO [NH3+]CCC(=O)c1cccc(Br)c1 ZINC000075484355 181370357 /nfs/dbraw/zinc/37/03/57/181370357.db2.gz KPBPUHDAMFQGBX-UHFFFAOYSA-N 1 0 228.089 1.981 40 0 BDABRO [NH3+]CCOCc1nc(-c2ccco2)cs1 ZINC000096528180 181399422 /nfs/dbraw/zinc/39/94/22/181399422.db2.gz FHGYCNSAENNAEB-UHFFFAOYSA-N 1 0 224.285 1.878 40 0 BDABRO [NH3+]CCc1cc(Br)ccn1 ZINC000083283677 181411767 /nfs/dbraw/zinc/41/17/67/181411767.db2.gz UINYVOMZFGIYLP-UHFFFAOYSA-N 1 0 201.067 1.345 40 0 BDABRO [NH3+]CCc1cccc(I)c1 ZINC000044236509 181412249 /nfs/dbraw/zinc/41/22/49/181412249.db2.gz WXEURTUDSSXUDL-UHFFFAOYSA-N 1 0 247.079 1.792 40 0 BDABRO [NH3+]CCc1cnc(-c2cnccn2)s1 ZINC000218359937 181412914 /nfs/dbraw/zinc/41/29/14/181412914.db2.gz CJJYTXYRSZFYJY-UHFFFAOYSA-N 1 0 206.274 1.101 40 0 BDABRO FC(F)(F)c1cc([C@@H]2CCC[NH2+]C2)ncn1 ZINC000019686446 368319595 /nfs/dbraw/zinc/31/95/95/368319595.db2.gz PERIPUXXPQZDLH-SSDOTTSWSA-N 1 0 231.221 1.962 40 0 BDABRO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000205688317 368357932 /nfs/dbraw/zinc/35/79/32/368357932.db2.gz SZXCDKFCCINYHN-NSHDSACASA-N 1 0 245.330 1.821 40 0 BDABRO CC[NH2+][C@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000205701887 368359682 /nfs/dbraw/zinc/35/96/82/368359682.db2.gz YYHFSOARHFEWDW-GFCCVEGCSA-N 1 0 224.348 1.920 40 0 BDABRO O=C1CC2(CC[NH2+]CC2)N1Cc1ccccc1 ZINC000095698640 368382606 /nfs/dbraw/zinc/38/26/06/368382606.db2.gz RIFGSMIKBNXPIA-UHFFFAOYSA-N 1 0 230.311 1.541 40 0 BDABRO [NH3+]C[C@H]1[C@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]12 ZINC000253614664 181440391 /nfs/dbraw/zinc/44/03/91/181440391.db2.gz BRZYOBACYJLIOT-CLLJXQQHSA-N 1 0 248.301 1.031 40 0 BDABRO [NH3+]Cc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000096515979 181479899 /nfs/dbraw/zinc/47/98/99/181479899.db2.gz TYKLSXUCKNXDPQ-UHFFFAOYSA-N 1 0 228.299 1.740 40 0 BDABRO COC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H](C2)C1 ZINC000062709946 370074900 /nfs/dbraw/zinc/07/49/00/370074900.db2.gz UHBCTVLVGNABLA-PHIMTYICSA-N 1 0 211.305 1.672 40 0 BDABRO C[C@H]([NH3+])c1ccc(-c2ccccn2)[nH]c1=O ZINC000253536010 370175800 /nfs/dbraw/zinc/17/58/00/370175800.db2.gz BYPGXMQCYDGFMX-QMMMGPOBSA-N 1 0 215.256 1.869 40 0 BDABRO [NH3+][C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000096515987 181579869 /nfs/dbraw/zinc/57/98/69/181579869.db2.gz MLHFWNHJFPCBLC-MRVPVSSYSA-N 1 0 234.328 1.619 40 0 BDABRO [NH3+][C@@H]1CCN(c2cccc(C(F)(F)F)n2)C1 ZINC000050244332 181590464 /nfs/dbraw/zinc/59/04/64/181590464.db2.gz BFXAPMQJGGCUSI-SSDOTTSWSA-N 1 0 231.221 1.638 40 0 BDABRO [NH3+][C@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000038538783 181651541 /nfs/dbraw/zinc/65/15/41/181651541.db2.gz SIHRWHHAKHPDJB-VIFPVBQESA-N 1 0 212.243 1.498 40 0 BDABRO C([C@H]1CCCO1)N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225711609 371569235 /nfs/dbraw/zinc/56/92/35/371569235.db2.gz JXGJYHMXVRWTCW-UPJWGTAASA-N 1 0 224.348 1.382 40 0 BDABRO CCOC(=O)[C@@H]1C[C@H]2C[C@@H]([C@H]1[NH3+])C2(C)C ZINC000032099076 372147988 /nfs/dbraw/zinc/14/79/88/372147988.db2.gz QSQQIOKAZCMRGD-JXUBOQSCSA-N 1 0 211.305 1.559 40 0 BDABRO O=C(C[C@H]1[C@H]2C[N@@H+](CC3CC3)C[C@@H]12)N1CCCC1 ZINC000107745921 182024172 /nfs/dbraw/zinc/02/41/72/182024172.db2.gz WNJYMLQHJJJUGX-BTTYYORXSA-N 1 0 248.370 1.587 40 0 BDABRO Clc1cc(NCC2CC[NH2+]CC2)ncn1 ZINC000040434328 373262498 /nfs/dbraw/zinc/26/24/98/373262498.db2.gz NERQBSHGWJYDCI-UHFFFAOYSA-N 1 0 226.711 1.542 40 0 BDABRO O=C(NCC[NH+]1CCCCC1)c1ccccc1 ZINC000003123553 182184203 /nfs/dbraw/zinc/18/42/03/182184203.db2.gz OUFLMJIRUDJZFT-UHFFFAOYSA-N 1 0 232.327 1.902 40 0 BDABRO O=C(NC[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000019401573 182238176 /nfs/dbraw/zinc/23/81/76/182238176.db2.gz IETMNQUJLDBSQH-JTQLQIEISA-N 1 0 236.290 1.555 40 0 BDABRO O=C1C[C@@H]([NH2+]C2CC2)C(=O)N1c1ccc(F)cc1 ZINC000012410144 182775684 /nfs/dbraw/zinc/77/56/84/182775684.db2.gz YFBFUJHQPDWHGK-LLVKDONJSA-N 1 0 248.257 1.210 40 0 BDABRO O=C1Nc2ccccc2CN1[C@H]1CCC[NH2+]C1 ZINC000083351172 182824311 /nfs/dbraw/zinc/82/43/11/182824311.db2.gz FGKIBMQFVBDQKL-NSHDSACASA-N 1 0 231.299 1.786 40 0 BDABRO OC1(c2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC000041226787 183023514 /nfs/dbraw/zinc/02/35/14/183023514.db2.gz VRSMNZBICYMDLY-UHFFFAOYSA-N 1 0 213.227 1.536 40 0 BDABRO OCC[C@H](CC[NH+]1CCOCC1)c1ccccc1 ZINC000217799782 183096656 /nfs/dbraw/zinc/09/66/56/183096656.db2.gz LFIRDFCCLFIAAB-HNNXBMFYSA-N 1 0 249.354 1.875 40 0 BDABRO O[C@H]1CC[N@H+](Cc2ccccn2)C[C@@]12CCCO2 ZINC000257224174 183240245 /nfs/dbraw/zinc/24/02/45/183240245.db2.gz FAPKWYUGAQBYKQ-KBPBESRZSA-N 1 0 248.326 1.197 40 0 BDABRO O[C@H]1CC[NH2+]CC[C@@H]1n1ccc2ccncc21 ZINC000257270878 183241453 /nfs/dbraw/zinc/24/14/53/183241453.db2.gz MVZYGBUYFYUENE-AAEUAGOBSA-N 1 0 231.299 1.322 40 0 BDABRO O[C@]1(C(F)(F)F)CC[NH2+]CC[C@H]1F ZINC000261508313 183250309 /nfs/dbraw/zinc/25/03/09/183250309.db2.gz RHNGOAYKQPFGFC-PHDIDXHHSA-N 1 0 201.163 1.001 40 0 BDABRO O[C@]12CCCC[C@@H]1C[n+]1ccccc1C2 ZINC000001704543 183252795 /nfs/dbraw/zinc/25/27/95/183252795.db2.gz IXSIAVPKHQVMHL-YPMHNXCESA-N 1 0 204.293 1.452 40 0 BDABRO c1c[nH]c(-c2nccnc2[C@@H]2CCC[NH2+]C2)n1 ZINC000257222199 183324061 /nfs/dbraw/zinc/32/40/61/183324061.db2.gz DSIWESBPBSNFKG-SECBINFHSA-N 1 0 229.287 1.334 40 0 BDABRO c1cc(CN2CC[C@H]3C[NH2+]C[C@H]32)cs1 ZINC000096054108 183347438 /nfs/dbraw/zinc/34/74/38/183347438.db2.gz QEUHGNSCBGZYCW-WDEREUQCSA-N 1 0 208.330 1.542 40 0 BDABRO CCCNC(=O)NCCC[NH+]1CCCCC1 ZINC000072790065 169236738 /nfs/dbraw/zinc/23/67/38/169236738.db2.gz ACYFBMAUUNPELQ-UHFFFAOYSA-N 1 0 227.352 1.572 40 0 BDABRO c1nc([C@@H]2CCC[NH2+]C2)n(-c2ccccn2)n1 ZINC000096524346 183388202 /nfs/dbraw/zinc/38/82/02/183388202.db2.gz KLOAWGSCIWMRFQ-SNVBAGLBSA-N 1 0 229.287 1.129 40 0 BDABRO c1cn(-c2cncc([C@@H]3CCC[NH2+]C3)n2)cn1 ZINC000072355916 183465004 /nfs/dbraw/zinc/46/50/04/183465004.db2.gz OFTWBRDKVJUEKZ-SNVBAGLBSA-N 1 0 229.287 1.129 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@H](COCC[NH3+])C1 ZINC000079390618 166654009 /nfs/dbraw/zinc/65/40/09/166654009.db2.gz ULPNOFXHGUXZLK-JTQLQIEISA-N 1 0 244.335 1.219 40 0 BDABRO N[C@H](C[NH3+])c1cccc(Br)c1 ZINC000035677128 383866123 /nfs/dbraw/zinc/86/61/23/383866123.db2.gz SWWWAQPDPMNNLH-MRVPVSSYSA-N 1 0 215.094 1.408 40 0 BDABRO N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000087878894 383868696 /nfs/dbraw/zinc/86/86/96/383868696.db2.gz MHFOHLNBBAHMLF-MRVPVSSYSA-N 1 0 242.204 1.872 40 0 BDABRO CN(Cc1ccncc1)C[C@@H]1CCC[NH2+]1 ZINC000036776478 383909048 /nfs/dbraw/zinc/90/90/48/383909048.db2.gz PWLURDIYQNTCNW-LBPRGKRZSA-N 1 0 205.305 1.265 40 0 BDABRO CC(=O)NC1C[C@@H]2CCC[NH+]3CCC[C@@H](C1)C23 ZINC000001697879 383925657 /nfs/dbraw/zinc/92/56/57/383925657.db2.gz DHIVDSFQGJRQIR-FEPKRQSRSA-N 1 0 236.359 1.776 40 0 BDABRO CO[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000016158193 383889068 /nfs/dbraw/zinc/88/90/68/383889068.db2.gz OJYYVIVMIWTFGH-NEPJUHHUSA-N 1 0 209.264 1.918 40 0 BDABRO [NH3+]Cc1cccn1OCc1ccccc1 ZINC000001755387 383933911 /nfs/dbraw/zinc/93/39/11/383933911.db2.gz YSSPDOUHAFYXQB-UHFFFAOYSA-N 1 0 202.257 1.576 40 0 BDABRO Nc1ncnc2c1cnn2C1CCCCC1 ZINC000001562359 383904191 /nfs/dbraw/zinc/90/41/91/383904191.db2.gz NMRKXWXGVJSXML-UHFFFAOYSA-N 1 0 217.276 1.914 40 0 BDABRO C[NH+](C)CCN1c2ccc(N)cc2CCCC1=O ZINC000035058989 384012893 /nfs/dbraw/zinc/01/28/93/384012893.db2.gz HRXAQFFFDRLNCS-UHFFFAOYSA-N 1 0 247.342 1.500 40 0 BDABRO N[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000035677109 384087708 /nfs/dbraw/zinc/08/77/08/384087708.db2.gz OEIJOMZGRVVYHM-QMMMGPOBSA-N 1 0 204.195 1.664 40 0 BDABRO N[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000035677116 384088378 /nfs/dbraw/zinc/08/83/78/384088378.db2.gz PUJYRAIIWDESCZ-MRVPVSSYSA-N 1 0 204.195 1.664 40 0 BDABRO N[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000035677117 384090267 /nfs/dbraw/zinc/09/02/67/384090267.db2.gz PUJYRAIIWDESCZ-QMMMGPOBSA-N 1 0 204.195 1.664 40 0 BDABRO CC(C)(C)OC(=O)NCC12CC(C1)C[NH2+]2 ZINC000091302520 384113798 /nfs/dbraw/zinc/11/37/98/384113798.db2.gz GNTQMPWBUVUIKA-UHFFFAOYSA-N 1 0 212.293 1.263 40 0 BDABRO C[N@H+](CCO)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393483 384134369 /nfs/dbraw/zinc/13/43/69/384134369.db2.gz MTRQJONYPRIQNA-CQSZACIVSA-N 1 0 234.343 1.185 40 0 BDABRO CC[N@H+](CCO)[C@@H]1CCCC[C@@H]1N(C)C ZINC000079405987 384136703 /nfs/dbraw/zinc/13/67/03/384136703.db2.gz OYDNNWKIHWGQAS-NWDGAFQWSA-N 1 0 214.353 1.173 40 0 BDABRO C[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1nccs1 ZINC000079436375 384146681 /nfs/dbraw/zinc/14/66/81/384146681.db2.gz YWMBHAQABXHFTI-BQBZGAKWSA-N 1 0 213.306 1.010 40 0 BDABRO Cc1ccsc1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000079436452 384146967 /nfs/dbraw/zinc/14/69/67/384146967.db2.gz KLSKCEYZHIVSPX-JTQLQIEISA-N 1 0 226.345 1.656 40 0 BDABRO CC(C)N(C(=O)C[NH3+])[C@H](C)c1ccccn1 ZINC000079421797 384141657 /nfs/dbraw/zinc/14/16/57/384141657.db2.gz KGHHYZITXYEQKX-SNVBAGLBSA-N 1 0 221.304 1.338 40 0 BDABRO CC(C)[N@H+](C)C[C@H]1CCCN(CCO)C1 ZINC000079418511 384142352 /nfs/dbraw/zinc/14/23/52/384142352.db2.gz MQMHXTWQPOGGQF-GFCCVEGCSA-N 1 0 214.353 1.031 40 0 BDABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccncc1)C(C)C ZINC000079421863 384143296 /nfs/dbraw/zinc/14/32/96/384143296.db2.gz RVQGSNKHRQLQOL-ZDUSSCGKSA-N 1 0 249.358 1.802 40 0 BDABRO CN(Cc1c(Cl)cccc1Cl)C(=O)C[NH3+] ZINC000079420218 384145560 /nfs/dbraw/zinc/14/55/60/384145560.db2.gz XPHKASXJJHVAML-UHFFFAOYSA-N 1 0 247.125 1.911 40 0 BDABRO [NH3+]Cc1ccc(OC2CCOCC2)c(F)c1 ZINC000040991635 384170676 /nfs/dbraw/zinc/17/06/76/384170676.db2.gz YTPSDLFLZSZDQW-UHFFFAOYSA-N 1 0 225.263 1.842 40 0 BDABRO FC(F)(F)Cc1noc(C2CC[NH2+]CC2)n1 ZINC000042412998 384217522 /nfs/dbraw/zinc/21/75/22/384217522.db2.gz HNLDFAMFWUYRGS-UHFFFAOYSA-N 1 0 235.209 1.641 40 0 BDABRO CN(C)c1cccc([C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000072381356 384217732 /nfs/dbraw/zinc/21/77/32/384217732.db2.gz SKIAAXNECISOST-GFCCVEGCSA-N 1 0 249.358 1.319 40 0 BDABRO CCc1ccc(-n2cnc(C[NH3+])c2)cc1 ZINC000082531501 384222503 /nfs/dbraw/zinc/22/25/03/384222503.db2.gz JLBOGKAPPGTOFA-UHFFFAOYSA-N 1 0 201.273 1.893 40 0 BDABRO CC(C)CNC(=O)CC1CC[NH+](C)CC1 ZINC000074920889 384310252 /nfs/dbraw/zinc/31/02/52/384310252.db2.gz DYYZBNKXYKICJI-UHFFFAOYSA-N 1 0 212.337 1.491 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)c2cccnc2)CC1 ZINC000100809640 384345296 /nfs/dbraw/zinc/34/52/96/384345296.db2.gz SILDYLQPSRZOMW-PHIMTYICSA-N 1 0 219.288 1.081 40 0 BDABRO [NH3+][C@H]1CC[C@H](NC(=O)C2CCCCC2)CC1 ZINC000100809945 384345338 /nfs/dbraw/zinc/34/53/38/384345338.db2.gz QKEQZFVJHTVITP-TXEJJXNPSA-N 1 0 224.348 1.953 40 0 BDABRO [NH3+]CCc1c[nH]c2ncc(Br)cc12 ZINC000095937246 384416945 /nfs/dbraw/zinc/41/69/45/384416945.db2.gz CMFBJWDJQFQFRD-UHFFFAOYSA-N 1 0 240.104 1.827 40 0 BDABRO [NH3+]CCc1nc(C2CC2)n2ccccc12 ZINC000011569823 384418857 /nfs/dbraw/zinc/41/88/57/384418857.db2.gz PKORWKGOCZHQTR-UHFFFAOYSA-N 1 0 201.273 1.713 40 0 BDABRO O=C1CCCC[C@H]2[NH2+]C[C@@H](c3ccccc3)[C@@H]2N1 ZINC000095951744 384419348 /nfs/dbraw/zinc/41/93/48/384419348.db2.gz FXHPKRQTQPSFQY-GUTXKFCHSA-N 1 0 244.338 1.801 40 0 BDABRO c1cnc2c(c1)C[NH2+]CCN2CC1CC1 ZINC000096198931 384444280 /nfs/dbraw/zinc/44/42/80/384444280.db2.gz MIHNTYJSGPNGSU-UHFFFAOYSA-N 1 0 203.289 1.401 40 0 BDABRO CCc1cccc(NC(=O)N2C[C@@H]3C[C@]3([NH3+])C2)c1 ZINC000096054889 384429788 /nfs/dbraw/zinc/42/97/88/384429788.db2.gz DCBHTHSBIBXWPO-FZMZJTMJSA-N 1 0 245.326 1.814 40 0 BDABRO O=C1CCC[C@@]2(CCC[N@H+](Cc3ccco3)C2)N1 ZINC000096049930 384430243 /nfs/dbraw/zinc/43/02/43/384430243.db2.gz VOEXIPJBPUPDRX-AWEZNQCLSA-N 1 0 248.326 1.914 40 0 BDABRO CC[N@@H+]1CCC[C@@]12CCCN(c1ncccn1)C2 ZINC000096203214 384442614 /nfs/dbraw/zinc/44/26/14/384442614.db2.gz RKKWESKZFHITEB-CQSZACIVSA-N 1 0 246.358 1.931 40 0 BDABRO CC(=O)N1CCC2(C[NH+](CC3CCCC3)C2)C1 ZINC000096202637 384443765 /nfs/dbraw/zinc/44/37/65/384443765.db2.gz HJAMKWIYRHMGTI-UHFFFAOYSA-N 1 0 236.359 1.731 40 0 BDABRO CC(C)(C)OC(=O)N1C[C@H](F)[C@H](C[NH3+])C1 ZINC000107259852 384485393 /nfs/dbraw/zinc/48/53/93/384485393.db2.gz WWJQJSHXCBBXRO-SFYZADRCSA-N 1 0 218.272 1.150 40 0 BDABRO Cc1nc([C@H]([NH3+])Cc2ccccc2)cc(=O)[nH]1 ZINC000019285186 384515631 /nfs/dbraw/zinc/51/56/31/384515631.db2.gz LCXBBGQXJMYBLG-LLVKDONJSA-N 1 0 229.283 1.321 40 0 BDABRO c1ccc([C@]23CCC[N@@H+]2CCCN3)cc1 ZINC000019329194 384515791 /nfs/dbraw/zinc/51/57/91/384515791.db2.gz NAKGVDHHANMIQD-ZDUSSCGKSA-N 1 0 202.301 1.929 40 0 BDABRO NN[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000199534319 384518528 /nfs/dbraw/zinc/51/85/28/384518528.db2.gz JPSGOGWISMADIT-GFCCVEGCSA-N 1 0 223.295 1.330 40 0 BDABRO c1coc(CNCC[NH2+]Cc2ccco2)c1 ZINC000019370073 384520209 /nfs/dbraw/zinc/52/02/09/384520209.db2.gz XQAWOCYMTJHYGC-UHFFFAOYSA-N 1 0 220.272 1.752 40 0 BDABRO C[C@@](CN)(c1ccccc1)[NH+]1CCCC1 ZINC000070453374 384563823 /nfs/dbraw/zinc/56/38/23/384563823.db2.gz PFCQTLKUFBZCCE-CYBMUJFWSA-N 1 0 204.317 1.956 40 0 BDABRO [NH3+]CCn1ncc(Br)c1C1CC1 ZINC000020313055 384613483 /nfs/dbraw/zinc/61/34/83/384613483.db2.gz YGWSTHXCUHUNMY-UHFFFAOYSA-N 1 0 230.109 1.482 40 0 BDABRO CCN(CC)c1nc(N)[nH+]c(N(CC)CC)n1 ZINC000000850710 384632312 /nfs/dbraw/zinc/63/23/12/384632312.db2.gz VJOHPAMUAGYVFA-UHFFFAOYSA-N 1 0 238.339 1.146 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C2(CC2)C1 ZINC000082359732 384671326 /nfs/dbraw/zinc/67/13/26/384671326.db2.gz MOMZQKDPZCSNQR-VIFPVBQESA-N 1 0 226.320 1.735 40 0 BDABRO [NH3+]Cc1cccc(OCC(=O)N2CCCC2)c1 ZINC000021953603 384710457 /nfs/dbraw/zinc/71/04/57/384710457.db2.gz YLVXZZYTFRDQHX-UHFFFAOYSA-N 1 0 234.299 1.147 40 0 BDABRO CN(C)CC[NH2+]C/C=C/c1ccccc1 ZINC000022075261 384730815 /nfs/dbraw/zinc/73/08/15/384730815.db2.gz MDJZZVXPMQVXPO-RMKNXTFCSA-N 1 0 204.317 1.851 40 0 BDABRO C[NH+](C)CCn1cnc2c1ccnc2Cl ZINC000096311618 384878034 /nfs/dbraw/zinc/87/80/34/384878034.db2.gz SLFRZQKXARRRFN-UHFFFAOYSA-N 1 0 224.695 1.646 40 0 BDABRO CC(C)(C)OC(=O)Nc1cc(CC[NH3+])ccn1 ZINC000084236238 384851710 /nfs/dbraw/zinc/85/17/10/384851710.db2.gz GTEMCAJNZKUBJY-UHFFFAOYSA-N 1 0 237.303 1.930 40 0 BDABRO O=C1c2ccccc2CN1[C@H]1CCC[NH2+]C1 ZINC000084232592 384852921 /nfs/dbraw/zinc/85/29/21/384852921.db2.gz ZYCVDGADEULRSM-NSHDSACASA-N 1 0 216.284 1.394 40 0 BDABRO Cc1c[nH+]c(NN)cc1I ZINC000150203087 384970672 /nfs/dbraw/zinc/97/06/72/384970672.db2.gz ACWCMRTYIIASID-UHFFFAOYSA-N 1 0 249.055 1.280 40 0 BDABRO CCOP(=O)(CCCC[NH3+])OCC ZINC000002569991 385031326 /nfs/dbraw/zinc/03/13/26/385031326.db2.gz ABGYRKSUMIOZDY-UHFFFAOYSA-N 1 0 209.226 1.991 40 0 BDABRO Cc1cc(C[NH3+])cnc1Br ZINC000072221910 385110365 /nfs/dbraw/zinc/11/03/65/385110365.db2.gz ZHEUZZIEFCEYNK-UHFFFAOYSA-N 1 0 201.067 1.611 40 0 BDABRO C=Cc1cnc(N2CC[NH2+]CC2)cc1C ZINC000072223587 385115950 /nfs/dbraw/zinc/11/59/50/385115950.db2.gz PIEFQZCTRWHPBG-UHFFFAOYSA-N 1 0 203.289 1.443 40 0 BDABRO CC[C@@H](O)c1ccc(N2CC[NH2+]CC2)nc1C ZINC000072224623 385118082 /nfs/dbraw/zinc/11/80/82/385118082.db2.gz KJWONUUKNUOBQB-GFCCVEGCSA-N 1 0 235.331 1.243 40 0 BDABRO COC(=O)c1ccc2[nH]cc(C[NH3+])c2c1 ZINC000089203515 385192898 /nfs/dbraw/zinc/19/28/98/385192898.db2.gz QMPPDPIDWXPIPJ-UHFFFAOYSA-N 1 0 204.229 1.413 40 0 BDABRO FC(F)(F)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000096511141 385250231 /nfs/dbraw/zinc/25/02/31/385250231.db2.gz QVNRNQDCWQTXBA-ZCFIWIBFSA-N 1 0 220.198 1.221 40 0 BDABRO C(c1[nH]nc2c1CCCC2)N1CCC[NH2+]CC1 ZINC000096523652 385268374 /nfs/dbraw/zinc/26/83/74/385268374.db2.gz OFFULBDPROJLEH-UHFFFAOYSA-N 1 0 234.347 1.084 40 0 BDABRO CSCC[C@@H]([NH3+])CN1CCCCC1 ZINC000096523852 385269023 /nfs/dbraw/zinc/26/90/23/385269023.db2.gz NBUHLSCIHHRHFA-SNVBAGLBSA-N 1 0 202.367 1.553 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1cccc(F)c1 ZINC000096524836 385275730 /nfs/dbraw/zinc/27/57/30/385275730.db2.gz YVPJRVCTYOFYEN-KCJUWKMLSA-N 1 0 245.319 1.649 40 0 BDABRO CC(C)N(C(C)C)[C@@H](C[NH3+])C(F)(F)F ZINC000096529442 385281691 /nfs/dbraw/zinc/28/16/91/385281691.db2.gz ZMPAKHCOLOQKAD-QMMMGPOBSA-N 1 0 212.259 1.995 40 0 BDABRO CC(=O)NC1(c2ccccc2)CC[NH+](C)CC1 ZINC000034529497 385285207 /nfs/dbraw/zinc/28/52/07/385285207.db2.gz UJCSZGOGCMLWTL-UHFFFAOYSA-N 1 0 232.327 1.744 40 0 BDABRO COC(=O)C[C@H](C[NH3+])c1cccc(OC)c1 ZINC000057515756 385361152 /nfs/dbraw/zinc/36/11/52/385361152.db2.gz IPRUWHKJTNZXTO-SNVBAGLBSA-N 1 0 223.272 1.301 40 0 BDABRO C[C@@H]([NH3+])c1ccc([C@@H]2CCS(=O)(=O)C2)cc1 ZINC000075845450 385695093 /nfs/dbraw/zinc/69/50/93/385695093.db2.gz RIHIEWFRXAHDPL-BXKDBHETSA-N 1 0 239.340 1.608 40 0 BDABRO CC[C@H](C)[C@@H]([NH3+])CN1CCSCC1 ZINC000020257451 385668630 /nfs/dbraw/zinc/66/86/30/385668630.db2.gz DXYMWDCYWUJHRU-UWVGGRQHSA-N 1 0 202.367 1.409 40 0 BDABRO Cc1nc([C@@]2(C)CCC[N@@H+](C)C2)cc(=O)[nH]1 ZINC000257203334 385752267 /nfs/dbraw/zinc/75/22/67/385752267.db2.gz APOSKJNSEVWAAJ-LBPRGKRZSA-N 1 0 221.304 1.474 40 0 BDABRO Cc1c[nH]nc1[C@]1(C)C[N@H+](CC(C)C)CCO1 ZINC000257267989 385757237 /nfs/dbraw/zinc/75/72/37/385757237.db2.gz MJUITYRJHDJGAI-ZDUSSCGKSA-N 1 0 237.347 1.922 40 0 BDABRO Cc1cc(-c2cnc(C3CC[NH2+]CC3)cn2)n[nH]1 ZINC000257277426 385759421 /nfs/dbraw/zinc/75/94/21/385759421.db2.gz NXXGFKHFBWYTDM-UHFFFAOYSA-N 1 0 243.314 1.642 40 0 BDABRO CCSc1ncc(C[NH2+]CCN(C)C)cn1 ZINC000062718350 385726313 /nfs/dbraw/zinc/72/63/13/385726313.db2.gz MXWMSGFMCXVUHE-UHFFFAOYSA-N 1 0 240.376 1.240 40 0 BDABRO CS(=O)(=O)[C@H]1[C@@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000218422622 385903579 /nfs/dbraw/zinc/90/35/79/385903579.db2.gz IDKGHMDCFUPBRN-LPEHRKFASA-N 1 0 245.731 1.178 40 0 BDABRO c1cncc(OC[C@@H]2CCC[C@@]23C[NH2+]CCO3)c1 ZINC000306142068 385992131 /nfs/dbraw/zinc/99/21/31/385992131.db2.gz WOOPQBINOMKUFI-GXTWGEPZSA-N 1 0 248.326 1.619 40 0 BDABRO c1nc2n(c1-c1cccnc1)CC[C@]21CC[NH2+]C1 ZINC000306138906 385992646 /nfs/dbraw/zinc/99/26/46/385992646.db2.gz SKMKBZMXPSNCCW-AWEZNQCLSA-N 1 0 240.310 1.580 40 0 BDABRO c1cncc(OC[C@@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000306142834 385992734 /nfs/dbraw/zinc/99/27/34/385992734.db2.gz XLYQOLCCXNLUJH-YPMHNXCESA-N 1 0 218.300 1.850 40 0 BDABRO COc1ccc([C@]2(C)CC(C[NH3+])=NO2)cc1 ZINC000222551277 386051649 /nfs/dbraw/zinc/05/16/49/386051649.db2.gz ZTGJYRPVLBEVIT-LBPRGKRZSA-N 1 0 220.272 1.645 40 0 BDABRO C[NH2+][C@@H](CO)c1cc(Br)ccc1F ZINC000038121227 386124429 /nfs/dbraw/zinc/12/44/29/386124429.db2.gz WAKKKEJVCCGCLI-VIFPVBQESA-N 1 0 248.095 1.841 40 0 BDABRO CCC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000048326617 386077360 /nfs/dbraw/zinc/07/73/60/386077360.db2.gz JJTFFDDFGYMSAN-UHFFFAOYSA-N 1 0 220.320 1.576 40 0 BDABRO c1ccc(OCC[C@H]2CCOC3(C[NH2+]C3)C2)nc1 ZINC000263621729 386156960 /nfs/dbraw/zinc/15/69/60/386156960.db2.gz CDEZGCCBISBZHD-LBPRGKRZSA-N 1 0 248.326 1.619 40 0 BDABRO CCc1ccc([C@H]2[C@@H]([NH3+])[C@@H]2S(C)(=O)=O)cc1 ZINC000218452831 386254763 /nfs/dbraw/zinc/25/47/63/386254763.db2.gz AIPMMWQRUVROCI-QJPTWQEYSA-N 1 0 239.340 1.087 40 0 BDABRO FC(F)(F)CN1CC[NH2+][C@H]2CCC[C@H]21 ZINC000218846715 386257593 /nfs/dbraw/zinc/25/75/93/386257593.db2.gz UMQQIUAWJQDGNR-JGVFFNPUSA-N 1 0 208.227 1.375 40 0 BDABRO [NH3+][C@@H]1CCC[C@H]1NCc1ccc2c(c1)OCO2 ZINC000218871931 386428061 /nfs/dbraw/zinc/42/80/61/386428061.db2.gz SWMLYUSDTCZHHV-GHMZBOCLSA-N 1 0 234.299 1.385 40 0 BDABRO c1nnc(C2CC[NH2+]CC2)n1CC1CC1 ZINC000328579427 386528604 /nfs/dbraw/zinc/52/86/04/386528604.db2.gz HURBZETWYQJZAX-UHFFFAOYSA-N 1 0 206.293 1.155 40 0 BDABRO c1nc([C@H]2C[NH2+]C[C@H]2c2ccccc2)no1 ZINC000328579412 386529232 /nfs/dbraw/zinc/52/92/32/386529232.db2.gz GPPVTTRGQXJLER-QWRGUYRKSA-N 1 0 215.256 1.540 40 0 BDABRO c1nc([C@H]2C[NH2+]C[C@@H]2c2ccccc2)no1 ZINC000328579411 386528181 /nfs/dbraw/zinc/52/81/81/386528181.db2.gz GPPVTTRGQXJLER-MNOVXSKESA-N 1 0 215.256 1.540 40 0 BDABRO O=C1Nc2cccc(Cl)c2C12CC[NH2+]CC2 ZINC000098213842 386580783 /nfs/dbraw/zinc/58/07/83/386580783.db2.gz BEHJUMSMAFJPIC-UHFFFAOYSA-N 1 0 236.702 1.913 40 0 BDABRO O=C(Nc1cc(F)ccc1O)[C@H]1CC[NH2+]C1 ZINC000335511319 386645775 /nfs/dbraw/zinc/64/57/75/386645775.db2.gz PUOMMTBCMRRIMB-ZETCQYMHSA-N 1 0 224.235 1.079 40 0 BDABRO c1ncn2c1C[NH2+]C[C@H]2COCC1CCCC1 ZINC000247845277 386734067 /nfs/dbraw/zinc/73/40/67/386734067.db2.gz MJFNTAAACMWZTH-ZDUSSCGKSA-N 1 0 235.331 1.734 40 0 BDABRO [NH3+][C@@]12C[C@@H]1CN(CCc1ccccc1)C2 ZINC000247651391 386729400 /nfs/dbraw/zinc/72/94/00/386729400.db2.gz NKGDBPKVSONMNG-CHWSQXEVSA-N 1 0 202.301 1.262 40 0 BDABRO COC(=O)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000057515785 386767931 /nfs/dbraw/zinc/76/79/31/386767931.db2.gz OCBVBGZBNKBCBA-SNVBAGLBSA-N 1 0 223.272 1.301 40 0 BDABRO O=C1N(Cc2cccnc2)CC[C@@]12CCC[NH2+]C2 ZINC000096224735 387019651 /nfs/dbraw/zinc/01/96/51/387019651.db2.gz PNKIRYPFCHFFCU-CQSZACIVSA-N 1 0 245.326 1.184 40 0 BDABRO c1ccc(N2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC000096226217 387023202 /nfs/dbraw/zinc/02/32/02/387023202.db2.gz GNTCZIOTMHGZAK-AWEZNQCLSA-N 1 0 232.327 1.645 40 0 BDABRO CN1C(=O)C[C@@H](c2ccncc2)C12CC[NH2+]CC2 ZINC000096261235 387025787 /nfs/dbraw/zinc/02/57/87/387025787.db2.gz MOVTULABPFFELM-LBPRGKRZSA-N 1 0 245.326 1.150 40 0 BDABRO Cc1ccnc(C2(C[NH3+])CCOCC2)c1 ZINC000082932859 387384394 /nfs/dbraw/zinc/38/43/94/387384394.db2.gz QZHXHUWNXVXTFP-UHFFFAOYSA-N 1 0 206.289 1.397 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000084942901 387475974 /nfs/dbraw/zinc/47/59/74/387475974.db2.gz VADJCKDRAUJNEF-GFCCVEGCSA-N 1 0 226.270 1.888 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2cccnc2Cl)C1 ZINC000052709617 387491066 /nfs/dbraw/zinc/49/10/66/387491066.db2.gz OMBVUUXYYQSCMF-SNVBAGLBSA-N 1 0 225.723 1.658 40 0 BDABRO [NH3+]C[C@@H]1C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001842 387600840 /nfs/dbraw/zinc/60/08/40/387600840.db2.gz WRUSKYLHURPMJY-XVKPBYJWSA-N 1 0 245.731 1.461 40 0 BDABRO CC(C)n1cc(C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000163970092 387853846 /nfs/dbraw/zinc/85/38/46/387853846.db2.gz SLEUZDDZPIVMAL-LBPRGKRZSA-N 1 0 223.320 1.733 40 0 BDABRO Cc1c(C[NH2+]CCCOC(C)C)cnn1C ZINC000086551896 387854804 /nfs/dbraw/zinc/85/48/04/387854804.db2.gz HDJNECHLIYNZPB-UHFFFAOYSA-N 1 0 225.336 1.633 40 0 BDABRO CC(C)CC[NH2+]Cc1ccn(CCF)n1 ZINC000256051697 387858082 /nfs/dbraw/zinc/85/80/82/387858082.db2.gz KEMMCNOOQXGMQM-UHFFFAOYSA-N 1 0 213.300 1.988 40 0 BDABRO C[NH+](C)CCCNCc1cnn(CC(F)F)c1 ZINC000256052125 387860968 /nfs/dbraw/zinc/86/09/68/387860968.db2.gz LZUNUASEJCXHGC-UHFFFAOYSA-N 1 0 246.305 1.190 40 0 BDABRO CN(CC[NH+](C)C)c1ccnc(Cl)n1 ZINC000038579729 388404669 /nfs/dbraw/zinc/40/46/69/388404669.db2.gz PHEAUHDSOMVFGH-UHFFFAOYSA-N 1 0 214.700 1.128 40 0 BDABRO CCC[C@H]1C[C@@H](OCCOCC)C[NH2+]1 ZINC000217861777 388382717 /nfs/dbraw/zinc/38/27/17/388382717.db2.gz FSCVLYYGDCOZPE-WDEREUQCSA-N 1 0 201.310 1.570 40 0 BDABRO CC(C)[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000242548694 388399707 /nfs/dbraw/zinc/39/97/07/388399707.db2.gz LTOJGMARRMZDEK-WOPDTQHZSA-N 1 0 224.348 1.489 40 0 BDABRO Fc1cccc(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000095067823 388591052 /nfs/dbraw/zinc/59/10/52/388591052.db2.gz SRKONTQQZJMAAS-GFCCVEGCSA-N 1 0 208.280 1.667 40 0 BDABRO CS(=O)(=O)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000002527195 388593435 /nfs/dbraw/zinc/59/34/35/388593435.db2.gz UTFCUGLGVGSABG-UHFFFAOYSA-N 1 0 239.340 1.557 40 0 BDABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccc(C)o1 ZINC000217671313 388570834 /nfs/dbraw/zinc/57/08/34/388570834.db2.gz LEWINZHAPWFTQH-UWVGGRQHSA-N 1 0 223.272 1.406 40 0 BDABRO CN1c2ccc(F)cc2C2(CC[NH2+]CC2)C1=O ZINC000104998227 388616259 /nfs/dbraw/zinc/61/62/59/388616259.db2.gz QVBYLCAPEDLNKN-UHFFFAOYSA-N 1 0 234.274 1.423 40 0 BDABRO c1ccn(C[C@@H]2CC[C@H]3[NH2+]CCO[C@H]32)c1 ZINC000248329651 388626090 /nfs/dbraw/zinc/62/60/90/388626090.db2.gz DQMLLTCZMBQSFE-TUAOUCFPSA-N 1 0 206.289 1.255 40 0 BDABRO CCOC[C@H]1C[NH2+]Cc2cn(CC)nc21 ZINC000306141853 388628971 /nfs/dbraw/zinc/62/89/71/388628971.db2.gz WIJPZPNFZUUZPK-SNVBAGLBSA-N 1 0 209.293 1.126 40 0 BDABRO COC(=O)CCc1ccc(C[NH3+])cc1F ZINC000199821300 388654647 /nfs/dbraw/zinc/65/46/47/388654647.db2.gz QZHDMFMIQAXUEP-UHFFFAOYSA-N 1 0 211.236 1.390 40 0 BDABRO CN(C[C@@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000079017046 388742761 /nfs/dbraw/zinc/74/27/61/388742761.db2.gz XPQDOUKRHNPOQO-CYBMUJFWSA-N 1 0 248.326 1.865 40 0 BDABRO C[C@@H](NC1CC[NH2+]CC1)c1nccs1 ZINC000070634000 388731280 /nfs/dbraw/zinc/73/12/80/388731280.db2.gz CZUWLKVCZMANGS-MRVPVSSYSA-N 1 0 211.334 1.546 40 0 BDABRO C[C@@H](C[NH3+])Oc1ccc(C(F)(F)F)cn1 ZINC000095094790 388760377 /nfs/dbraw/zinc/76/03/77/388760377.db2.gz LNUWUIOZDMRKSS-LURJTMIESA-N 1 0 220.194 1.826 40 0 BDABRO Cc1cc(N2CC[NH+](C)CC2)cc(C)c1N ZINC000084491732 132311351 /nfs/dbraw/zinc/31/13/51/132311351.db2.gz CRFMCFIAIWJIFE-UHFFFAOYSA-N 1 0 219.332 1.637 40 0 BDABRO [NH3+]Cc1ccnc(N2CCCCC2=O)c1 ZINC000098214003 132312133 /nfs/dbraw/zinc/31/21/33/132312133.db2.gz LOTMVLNTGQXAFM-UHFFFAOYSA-N 1 0 205.261 1.057 40 0 BDABRO [NH3+]C1CCN(c2cc(Cl)ncn2)CC1 ZINC000040434300 132347582 /nfs/dbraw/zinc/34/75/82/132347582.db2.gz OVVSZHCHBMPQLE-UHFFFAOYSA-N 1 0 212.684 1.058 40 0 BDABRO [NH3+][C@H]1CCCN(c2cc3c(nn2)CCCC3)C1 ZINC000096516124 132432216 /nfs/dbraw/zinc/43/22/16/132432216.db2.gz DLLVLRQLIBGLPE-NSHDSACASA-N 1 0 232.331 1.283 40 0 BDABRO c1ccc(O[C@H]2C[C@H]3C[NH2+]CCN3C2)cc1 ZINC000101186275 398035973 /nfs/dbraw/zinc/03/59/73/398035973.db2.gz STDVRIRGBVBCJE-AAEUAGOBSA-N 1 0 218.300 1.112 40 0 BDABRO COC(=O)c1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000067800556 398039924 /nfs/dbraw/zinc/03/99/24/398039924.db2.gz XDBOCAVQJXOCBY-UHFFFAOYSA-N 1 0 248.326 1.315 40 0 BDABRO CC(C)C[NH2+]C[C@H](O)COCc1ccco1 ZINC000037852118 167006008 /nfs/dbraw/zinc/00/60/08/167006008.db2.gz PCWOYFOFYXQUGK-NSHDSACASA-N 1 0 227.304 1.403 40 0 BDABRO CC(C)OCCCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000072796592 167221652 /nfs/dbraw/zinc/22/16/52/167221652.db2.gz MRPGBPSFZNVEMR-LBPRGKRZSA-N 1 0 242.363 1.260 40 0 BDABRO CC(C)c1cc([C@@H]2CCCN2CC[NH3+])no1 ZINC000022763025 167578798 /nfs/dbraw/zinc/57/87/98/167578798.db2.gz WINFACGXVKLRFG-NSHDSACASA-N 1 0 223.320 1.894 40 0 BDABRO COC[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000395959663 411255912 /nfs/dbraw/zinc/25/59/12/411255912.db2.gz PJPOQKVMAIYGSG-RYUDHWBXSA-N 1 0 240.347 1.014 40 0 BDABRO CC1=N[C@@]2(CC[C@@H]3C[NH2+]C[C@@H]32)C(=O)N1CC(C)C ZINC000096261547 168137925 /nfs/dbraw/zinc/13/79/25/168137925.db2.gz JHUHWQRWQUEUJY-MBNYWOFBSA-N 1 0 249.358 1.271 40 0 BDABRO CC[N@@H+]1CC[C@@H](c2cc(=O)cc(C)[nH]2)C1 ZINC000257287974 170014534 /nfs/dbraw/zinc/01/45/34/170014534.db2.gz PSGNGWJSYJQNKY-SNVBAGLBSA-N 1 0 206.289 1.905 40 0 BDABRO CC[NH2+]C[C@H](O)Cc1ccccc1OC ZINC000001671775 170122357 /nfs/dbraw/zinc/12/23/57/170122357.db2.gz GFESGUKBPXYLMA-LLVKDONJSA-N 1 0 209.289 1.208 40 0 BDABRO CC[NH2+][C@@H](C)C(=O)c1cccc2c1OCO2 ZINC000299817278 170139206 /nfs/dbraw/zinc/13/92/06/170139206.db2.gz QJADLMNXVWSLDV-QMMMGPOBSA-N 1 0 221.256 1.596 40 0 in-vitro BDABRO CCOC(=O)CC[NH+](CC)CCC(=O)OCC ZINC000001597190 170204098 /nfs/dbraw/zinc/20/40/98/170204098.db2.gz DLRYTAOWFPFCRX-UHFFFAOYSA-N 1 0 245.319 1.215 40 0 BDABRO CCOC(=O)[C@H]1CC[NH2+][C@H]1c1ccccc1 ZINC000082110835 170280585 /nfs/dbraw/zinc/28/05/85/170280585.db2.gz PXFPDTOVEBHWER-RYUDHWBXSA-N 1 0 219.284 1.900 40 0 BDABRO CCc1ccc(C[NH2+]C[C@@H]2CCCO2)n1C ZINC000226019502 171807181 /nfs/dbraw/zinc/80/71/81/171807181.db2.gz XUEQNBXBQKDOIE-ZDUSSCGKSA-N 1 0 222.332 1.856 40 0 BDABRO CCn1c2ccccc2nc1NC[C@@H](C)O ZINC000000513521 172145970 /nfs/dbraw/zinc/14/59/70/172145970.db2.gz DDPMLFJNQIKAIJ-SECBINFHSA-N 1 0 219.288 1.849 40 0 BDABRO CCn1ccc(C[NH2+]C[C@@H]2CCCO2)n1 ZINC000256051364 172200705 /nfs/dbraw/zinc/20/07/05/172200705.db2.gz IWHHWWOPBZJOPF-NSHDSACASA-N 1 0 209.293 1.172 40 0 BDABRO CCn1ncc(C[NH2+]C[C@H]2CCCO2)c1F ZINC000256049878 172254904 /nfs/dbraw/zinc/25/49/04/172254904.db2.gz BVODIIGEOWPPNL-SNVBAGLBSA-N 1 0 227.283 1.311 40 0 BDABRO CN(C(=O)C[NH2+]C1CC1)C1CCCCC1 ZINC000037395016 172310256 /nfs/dbraw/zinc/31/02/56/172310256.db2.gz VDQGAJFBZUNBOV-UHFFFAOYSA-N 1 0 210.321 1.530 40 0 BDABRO CN(C)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000001580847 172354677 /nfs/dbraw/zinc/35/46/77/172354677.db2.gz JJZKYGDMIZQQAR-UHFFFAOYSA-N 1 0 232.327 1.396 40 0 BDABRO CN(C)C(=O)N1CCC2(CCCC[N@@H+]2C)CC1 ZINC000096051209 172375933 /nfs/dbraw/zinc/37/59/33/172375933.db2.gz CNPYXQZNOHBZLJ-UHFFFAOYSA-N 1 0 239.363 1.618 40 0 BDABRO CN(C)C(=O)c1ccccc1-n1cc(C[NH3+])cn1 ZINC000257284407 172392713 /nfs/dbraw/zinc/39/27/13/172392713.db2.gz PCOQKPIKXMQNLS-UHFFFAOYSA-N 1 0 244.298 1.033 40 0 BDABRO C[NH+](C)CCCNC(=S)NC(C)(C)C ZINC000035082205 172439783 /nfs/dbraw/zinc/43/97/83/172439783.db2.gz ZYVQMBUCZSLKOG-UHFFFAOYSA-N 1 0 217.382 1.201 40 0 BDABRO C[N@@H+]1CCC[C@@H](Oc2ccccc2N)C1 ZINC000096526670 173022636 /nfs/dbraw/zinc/02/26/36/173022636.db2.gz FCZORDGDGCCCRP-SNVBAGLBSA-N 1 0 206.289 1.742 40 0 BDABRO C[N@@H+]1CCC[C@@H](c2ccc(NCCO)cn2)C1 ZINC000072383418 173023598 /nfs/dbraw/zinc/02/35/98/173023598.db2.gz ZWYYMYCMRYQSPD-LLVKDONJSA-N 1 0 235.331 1.295 40 0 BDABRO C[N@@H+]1CCC[C@@](O)(C(=O)c2ccccc2)C1 ZINC000001563466 173035392 /nfs/dbraw/zinc/03/53/92/173035392.db2.gz HRNDMRGKNJWGIL-ZDUSSCGKSA-N 1 0 219.284 1.326 40 0 BDABRO CN1CC[NH+](C[C@H]2Cc3ccccc3N2)CC1 ZINC000096524013 173085424 /nfs/dbraw/zinc/08/54/24/173085424.db2.gz HJSYJQQKBBGARB-CYBMUJFWSA-N 1 0 231.343 1.271 40 0 BDABRO CN1c2ccccc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000091302258 173136924 /nfs/dbraw/zinc/13/69/24/173136924.db2.gz GTQVMLYRXPPDSO-WCQYABFASA-N 1 0 202.301 1.924 40 0 BDABRO C[N@@H+]1CC[C@H](Cc2ccnc(-c3cc[nH]n3)c2)C1 ZINC000257276935 173147927 /nfs/dbraw/zinc/14/79/27/173147927.db2.gz NVTLEYODTSBSPM-GFCCVEGCSA-N 1 0 242.326 1.966 40 0 BDABRO C[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)OC(C)(C)C ZINC000077031823 173198971 /nfs/dbraw/zinc/19/89/71/173198971.db2.gz VYYZBKDBMOBMBG-RKDXNWHRSA-N 1 0 212.293 1.310 40 0 BDABRO CNC(=O)[C@@]1(CCCc2ccncc2)CCC[NH2+]1 ZINC000072344216 173300627 /nfs/dbraw/zinc/30/06/27/173300627.db2.gz WOPJYDCUIBSSRT-CQSZACIVSA-N 1 0 247.342 1.273 40 0 BDABRO C[NH2+]C1CCC(N(C(C)=O)C2CC2)CC1 ZINC000079438233 173322089 /nfs/dbraw/zinc/32/20/89/173322089.db2.gz UHAFFGGCWDVZES-UHFFFAOYSA-N 1 0 210.321 1.528 40 0 BDABRO C[NH2+]CC(=O)N[C@H](C)CCc1ccccc1 ZINC000040414483 173331628 /nfs/dbraw/zinc/33/16/28/173331628.db2.gz JRMFLEJTLGRYIT-LLVKDONJSA-N 1 0 220.316 1.343 40 0 BDABRO C[NH2+]CC(=O)Nc1cc(Cl)ccc1C ZINC000019516172 173332507 /nfs/dbraw/zinc/33/25/07/173332507.db2.gz OVHUISGKGPMWPM-UHFFFAOYSA-N 1 0 212.680 1.806 40 0 BDABRO C[NH2+]C[C@H](O)c1cncc(Br)c1 ZINC000083072646 173377257 /nfs/dbraw/zinc/37/72/57/173377257.db2.gz LKCBATZLHZQYSD-QMMMGPOBSA-N 1 0 231.093 1.097 40 0 BDABRO C[NH2+]Cc1cc(N)ccc1OC(F)F ZINC000085397004 173386772 /nfs/dbraw/zinc/38/67/72/173386772.db2.gz MAAYMHCRQCIIBJ-UHFFFAOYSA-N 1 0 202.204 1.590 40 0 BDABRO C[NH2+]Cc1nnc2n1CC[C@H](C(F)(F)F)C2 ZINC000328579535 173398354 /nfs/dbraw/zinc/39/83/54/173398354.db2.gz NZPDSCBJGMHUAD-LURJTMIESA-N 1 0 234.225 1.122 40 0 BDABRO COC(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000044135380 173901314 /nfs/dbraw/zinc/90/13/14/173901314.db2.gz ASAPISFCAQAERO-SECBINFHSA-N 1 0 205.257 1.550 40 0 BDABRO COCCC[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000031622384 174246876 /nfs/dbraw/zinc/24/68/76/174246876.db2.gz GRPLGTPSEOTLHW-LLVKDONJSA-N 1 0 237.299 1.453 40 0 BDABRO COCC[N@@H+]1CCC[C@@H](Cc2ncccn2)C1 ZINC000257206376 174305973 /nfs/dbraw/zinc/30/59/73/174305973.db2.gz BDCCUAYCOWPKPK-LBPRGKRZSA-N 1 0 235.331 1.378 40 0 BDABRO COCC[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000072379986 174309147 /nfs/dbraw/zinc/30/91/47/174309147.db2.gz FLAJKBZWZSXKHF-LBPRGKRZSA-N 1 0 235.331 1.611 40 0 BDABRO COCC[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219054 174334508 /nfs/dbraw/zinc/33/45/08/174334508.db2.gz TXWMAVGHHLPLAM-VIFPVBQESA-N 1 0 217.309 1.200 40 0 BDABRO COCCO[C@H]1CC[N@H+](C)[C@H]1Cc1ccccc1 ZINC000096200419 174366276 /nfs/dbraw/zinc/36/62/76/174366276.db2.gz JXQNFNICVVAFAC-GJZGRUSLSA-N 1 0 249.354 1.965 40 0 BDABRO COc1cc(C(N)=[NH2+])cc(Cl)c1OC ZINC000037895449 174943544 /nfs/dbraw/zinc/94/35/44/174943544.db2.gz PXAGOBSALZUABR-UHFFFAOYSA-N 1 0 214.652 1.641 40 0 BDABRO COc1ccc(-c2nc(CC[NH3+])no2)cc1 ZINC000008729372 175039196 /nfs/dbraw/zinc/03/91/96/175039196.db2.gz GVPWXDNPZKWKFD-UHFFFAOYSA-N 1 0 219.244 1.246 40 0 BDABRO COc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000096053716 175103145 /nfs/dbraw/zinc/10/31/45/175103145.db2.gz VEMAWGUTPASWMD-BETUJISGSA-N 1 0 232.327 1.346 40 0 BDABRO COc1ccc(F)cc1CN1CCC([NH3+])CC1 ZINC000036754803 175128563 /nfs/dbraw/zinc/12/85/63/175128563.db2.gz MHJCEGLFOVRXNP-UHFFFAOYSA-N 1 0 238.306 1.757 40 0 BDABRO COc1ccc([C@@H]2[NH2+]CCO2)cc1OC ZINC000057548147 175185606 /nfs/dbraw/zinc/18/56/06/175185606.db2.gz TZYUWERDWYOBBN-LLVKDONJSA-N 1 0 209.245 1.322 40 0 BDABRO COc1ccc([C@@](C)(O)C[NH3+])cc1Cl ZINC000036159296 175186575 /nfs/dbraw/zinc/18/65/75/175186575.db2.gz IZHLOHHRFUOGBT-JTQLQIEISA-N 1 0 215.680 1.515 40 0 BDABRO COc1ccc([C@](C)(O)C[NH3+])cc1Cl ZINC000036159290 175199859 /nfs/dbraw/zinc/19/98/59/175199859.db2.gz IZHLOHHRFUOGBT-SNVBAGLBSA-N 1 0 215.680 1.515 40 0 BDABRO COc1ccc2nccc(C[NH2+]C[C@H](C)O)c2c1 ZINC000001640919 175229726 /nfs/dbraw/zinc/22/97/26/175229726.db2.gz IXKWRQUPQRPWLK-JTQLQIEISA-N 1 0 246.310 1.714 40 0 BDABRO COc1cccc(-c2ccnn2CC[NH3+])c1 ZINC000096527671 175235099 /nfs/dbraw/zinc/23/50/99/175235099.db2.gz UWRIVUVOLUYFRY-UHFFFAOYSA-N 1 0 217.272 1.517 40 0 BDABRO COc1cccc(-c2noc([C@H]3CC[NH2+]C3)n2)c1 ZINC000062119659 175239027 /nfs/dbraw/zinc/23/90/27/175239027.db2.gz CRTGAFLSKNGCCF-JTQLQIEISA-N 1 0 245.282 1.822 40 0 BDABRO COc1cccc(C[C@@H]2C[NH2+]CCO2)c1 ZINC000071510376 175271626 /nfs/dbraw/zinc/27/16/26/175271626.db2.gz UISHTKQOSMMBMW-GFCCVEGCSA-N 1 0 207.273 1.226 40 0 BDABRO COc1cccc(Cn2cncc2C[NH3+])c1 ZINC000075142508 175273302 /nfs/dbraw/zinc/27/33/02/175273302.db2.gz MRTZSYDSLRUONS-UHFFFAOYSA-N 1 0 217.272 1.399 40 0 BDABRO COc1cccc([C@@H](C[NH3+])N(C)C)c1OC ZINC000019796352 175288187 /nfs/dbraw/zinc/28/81/87/175288187.db2.gz ZUYLYQJNEQUPMI-SNVBAGLBSA-N 1 0 224.304 1.265 40 0 BDABRO COc1ccccc1-c1noc(CC[NH3+])n1 ZINC000015417133 175311491 /nfs/dbraw/zinc/31/14/91/175311491.db2.gz USSDQDQQKVTEEX-UHFFFAOYSA-N 1 0 219.244 1.246 40 0 BDABRO COc1ccccc1[C@H]1C[C@@H](CO)C[NH2+]1 ZINC000108351331 175355303 /nfs/dbraw/zinc/35/53/03/175355303.db2.gz CIPYJJFOPZERCR-MWLCHTKSSA-N 1 0 207.273 1.338 40 0 BDABRO C[C@@H]([C@@H]([NH3+])c1cccc(Cl)c1)S(C)(=O)=O ZINC000096524769 176011319 /nfs/dbraw/zinc/01/13/19/176011319.db2.gz PXXNSOTWTKWDKJ-OIBJUYFYSA-N 1 0 247.747 1.773 40 0 BDABRO C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)CC[NH2+]1 ZINC000067799601 176260016 /nfs/dbraw/zinc/26/00/16/176260016.db2.gz KUZQWBHBISYFMG-MRVPVSSYSA-N 1 0 240.253 1.399 40 0 BDABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccccc1 ZINC000014984855 176326835 /nfs/dbraw/zinc/32/68/35/176326835.db2.gz SXAIXGMQDJUBDK-SNVBAGLBSA-N 1 0 204.273 1.121 40 0 BDABRO C[C@H](c1ccccn1)N1CCCC[C@@H]1C[NH3+] ZINC000096319961 177044245 /nfs/dbraw/zinc/04/42/45/177044245.db2.gz HRJLOOKXADOPPF-VXGBXAGGSA-N 1 0 219.332 1.956 40 0 BDABRO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000100176673 177050900 /nfs/dbraw/zinc/05/09/00/177050900.db2.gz ZXTPHABXDVSFCI-GHMZBOCLSA-N 1 0 221.304 1.242 40 0 BDABRO C[C@H]1C[NH2+]CCN1CCOc1ccccc1 ZINC000054371927 177284193 /nfs/dbraw/zinc/28/41/93/177284193.db2.gz ISQWTMVXBMKLQW-LBPRGKRZSA-N 1 0 220.316 1.359 40 0 BDABRO C[C@H]1C[NH2+]CCN1Cc1ccc(F)cc1F ZINC000054374550 177284849 /nfs/dbraw/zinc/28/48/49/177284849.db2.gz AJANSCODQWKDSA-VIFPVBQESA-N 1 0 226.270 1.759 40 0 BDABRO C[C@H]1[NH2+]CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000082350171 177395497 /nfs/dbraw/zinc/39/54/97/177395497.db2.gz CVCMTSFXNBEYEM-NXEZZACHSA-N 1 0 228.336 1.899 40 0 BDABRO [NH3+]CCNCc1ccccc1C(F)(F)F ZINC000037712269 323107778 /nfs/dbraw/zinc/10/77/78/323107778.db2.gz CQAORIVRPSWTFX-UHFFFAOYSA-N 1 0 218.222 1.754 40 0 BDABRO C[N@@H+]1C[C@H](CO)[C@@H](c2cccc(F)c2)C1 ZINC000225609030 487501568 /nfs/dbraw/zinc/50/15/68/487501568.db2.gz PMTYDJRHJNLFNW-ZYHUDNBSSA-N 1 0 209.264 1.463 40 0 BDABRO CC(=O)N[C@H]1CC[C@H]([N@@H+](CCO)C(C)C)CC1 ZINC000248018546 519701035 /nfs/dbraw/zinc/70/10/35/519701035.db2.gz TXUMEMUVUAAHNB-JOCQHMNTSA-N 1 0 242.363 1.136 40 0 BDABRO C[NH+]1CCC(CC(=O)NCc2cccnc2)CC1 ZINC000074920922 523754839 /nfs/dbraw/zinc/75/48/39/523754839.db2.gz DKOZYEHEHNRYDJ-UHFFFAOYSA-N 1 0 247.342 1.430 40 0 BDABRO COC(=O)c1ccccc1N1CC[NH2+]C[C@@H]1C ZINC000039952485 536818407 /nfs/dbraw/zinc/81/84/07/536818407.db2.gz OFEVVVMZMLNELW-JTQLQIEISA-N 1 0 234.299 1.271 40 0 BDABRO Cc1ccccc1OCC(=O)NCC[NH+](C)C ZINC000001781563 136207420 /nfs/dbraw/zinc/20/74/20/136207420.db2.gz ZKPASIBIRPFBSA-UHFFFAOYSA-N 1 0 236.315 1.052 40 0 BDABRO CC[N@@H+]1CCC[C@]1(C)c1nc(C)cc(N)n1 ZINC000072388336 343980133 /nfs/dbraw/zinc/98/01/33/343980133.db2.gz LRUWZYRVALINMH-GFCCVEGCSA-N 1 0 220.320 1.698 40 0 BDABRO Cc1cc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)no1 ZINC000063527671 177992635 /nfs/dbraw/zinc/99/26/35/177992635.db2.gz HMUPFAMIYPGAEQ-AWEZNQCLSA-N 1 0 249.358 1.901 40 0 BDABRO [NH3+]Cc1cncn1Cc1cccc(F)c1 ZINC000075130260 398216792 /nfs/dbraw/zinc/21/67/92/398216792.db2.gz PTOOOPPHSOLCEX-UHFFFAOYSA-N 1 0 205.236 1.529 40 0 BDABRO Cc1cc2nccc(C3CC[NH2+]CC3)n2n1 ZINC000079031053 178304998 /nfs/dbraw/zinc/30/49/98/178304998.db2.gz XVFYJLZEQSODLD-UHFFFAOYSA-N 1 0 216.288 1.505 40 0 BDABRO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](C)(O)C[NH3+] ZINC000072207877 259315153 /nfs/dbraw/zinc/31/51/53/259315153.db2.gz ILMUDZBRIUTWHX-CABZTGNLSA-N 1 0 246.351 1.245 40 0 BDABRO CCOC(=O)[C@@H](N)C(C)(C)[NH+]1CCCCC1 ZINC000072210592 259317572 /nfs/dbraw/zinc/31/75/72/259317572.db2.gz FNWPDSVHYCORSE-SNVBAGLBSA-N 1 0 228.336 1.141 40 0 BDABRO COc1ccc(CNC(N)=[NH2+])c2ccccc12 ZINC000001639039 342706508 /nfs/dbraw/zinc/70/65/08/342706508.db2.gz IYYRLTJZXPXZGC-UHFFFAOYSA-N 1 0 229.283 1.831 40 0 BDABRO COC(C[N@H+](C)Cc1ccccc1)OC ZINC000001708793 342710445 /nfs/dbraw/zinc/71/04/45/342710445.db2.gz ARYBMZWTLKTIFY-UHFFFAOYSA-N 1 0 209.289 1.737 40 0 BDABRO CC(C)(C)OC(=O)[C@@H](O)[C@@H]([NH3+])c1ccccc1 ZINC000002569681 342724868 /nfs/dbraw/zinc/72/48/68/342724868.db2.gz FTDZKKASRJHWGD-QWRGUYRKSA-N 1 0 237.299 1.389 40 0 BDABRO Cc1[nH+]c(N2CCCCC2)ccc1CCO ZINC000072224559 259322074 /nfs/dbraw/zinc/32/20/74/259322074.db2.gz PIVHKPDEMGGHTQ-UHFFFAOYSA-N 1 0 220.316 1.915 40 0 BDABRO CC(C)(C)OC(=O)NC12CC([NH3+])(C1)CC2 ZINC000012506821 342852994 /nfs/dbraw/zinc/85/29/94/342852994.db2.gz BNNXJCJQIVVPTF-UHFFFAOYSA-N 1 0 212.293 1.535 40 0 BDABRO CCS(=O)(=O)C[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000075417126 398302766 /nfs/dbraw/zinc/30/27/66/398302766.db2.gz OSBADAHHHOUHJG-JTQLQIEISA-N 1 0 247.747 1.775 40 0 BDABRO CC(C)[NH2+][C@@H](C)C(=O)c1ccc2c(c1)OCO2 ZINC000219443699 342870477 /nfs/dbraw/zinc/87/04/77/342870477.db2.gz ZGELXFOIEWJEFM-VIFPVBQESA-N 1 0 235.283 1.985 40 0 in-vitro BDABRO C[NH+](C)C[C@H]1C(=O)[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21 ZINC000136546178 398342654 /nfs/dbraw/zinc/34/26/54/398342654.db2.gz NGVULNLBXHSZGF-YBXAARCKSA-N 1 0 207.317 1.799 40 0 BDABRO COc1ccc([C@@]23CCC[N@@H+]2CCCN3)cc1 ZINC000019329200 342945972 /nfs/dbraw/zinc/94/59/72/342945972.db2.gz PMGLPQRIWNNHRB-CQSZACIVSA-N 1 0 232.327 1.937 40 0 BDABRO Cc1ccc(C)c(CC(=O)NCC[NH+](C)C)c1 ZINC000030756898 343197311 /nfs/dbraw/zinc/19/73/11/343197311.db2.gz HEFJLXCEMLZRLW-UHFFFAOYSA-N 1 0 234.343 1.524 40 0 BDABRO CC(C)[N@H+](CCO)Cc1ccc(Cl)nc1 ZINC000042479078 343320479 /nfs/dbraw/zinc/32/04/79/343320479.db2.gz WOMPALFVCDIOHD-UHFFFAOYSA-N 1 0 228.723 1.938 40 0 BDABRO C[C@@H](CC(=O)N1CC[NH2+]CC1)CC(C)(C)C ZINC000036889229 343326436 /nfs/dbraw/zinc/32/64/36/343326436.db2.gz YMNUGOCPVHQQNK-NSHDSACASA-N 1 0 226.364 1.881 40 0 BDABRO COC(=O)C[C@H](C)[NH2+]Cc1ccccc1OC ZINC000035747735 343303517 /nfs/dbraw/zinc/30/35/17/343303517.db2.gz LAHPMPRIVRYSJO-JTQLQIEISA-N 1 0 237.299 1.736 40 0 BDABRO COC(=O)C[C@@H](C)[NH2+]Cc1ccncc1 ZINC000035748695 343303860 /nfs/dbraw/zinc/30/38/60/343303860.db2.gz IAKGAFZZFXFHFG-SECBINFHSA-N 1 0 208.261 1.123 40 0 BDABRO C[C@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000037804938 343313012 /nfs/dbraw/zinc/31/30/12/343313012.db2.gz HAHAGRMQPXRHOB-QMMMGPOBSA-N 1 0 226.707 1.646 40 0 BDABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000037469823 343346311 /nfs/dbraw/zinc/34/63/11/343346311.db2.gz YSSKLKKEUPUEEM-SECBINFHSA-N 1 0 214.309 1.605 40 0 BDABRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000039093831 343381858 /nfs/dbraw/zinc/38/18/58/343381858.db2.gz IHGSPMZBMBIGHI-DTWKUNHWSA-N 1 0 214.309 1.639 40 0 BDABRO CC[C@@H](c1ccccc1)N(C)C(=O)C[NH3+] ZINC000079421164 343400791 /nfs/dbraw/zinc/40/07/91/343400791.db2.gz LMHWPXZDSIUHDR-NSHDSACASA-N 1 0 206.289 1.555 40 0 BDABRO Cn1nc(OCC[NH3+])c2cc(Cl)ccc21 ZINC000216186180 136365827 /nfs/dbraw/zinc/36/58/27/136365827.db2.gz BOEOQABHHGHNFL-UHFFFAOYSA-N 1 0 225.679 1.564 40 0 BDABRO CSc1nc(Cl)c(C[NH3+])c(Cl)n1 ZINC000044068861 343490903 /nfs/dbraw/zinc/49/09/03/343490903.db2.gz ZYBSOUNRTOITPG-UHFFFAOYSA-N 1 0 224.116 1.964 40 0 BDABRO CC[C@@H]([C@@H]([NH3+])c1ccc(F)cc1)S(C)(=O)=O ZINC000096524889 343758868 /nfs/dbraw/zinc/75/88/68/343758868.db2.gz VXEIIGMVROFLPI-QWRGUYRKSA-N 1 0 245.319 1.649 40 0 BDABRO CC[N@@H+]1CCCC[C@H]1c1ccc(=O)[nH]c1 ZINC000068590751 343919390 /nfs/dbraw/zinc/91/93/90/343919390.db2.gz MMRXAHLUPIUIOF-NSHDSACASA-N 1 0 206.289 1.922 40 0 BDABRO Cc1csc(NC(=O)[C@H]([NH3+])C(C)C)n1 ZINC000019436351 347020040 /nfs/dbraw/zinc/02/00/40/347020040.db2.gz PNHHQOFRTZAMGX-SSDOTTSWSA-N 1 0 213.306 1.373 40 0 BDABRO CO[C@@H]1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC000221533426 347021862 /nfs/dbraw/zinc/02/18/62/347021862.db2.gz STQIQBUGUSIZFH-CHWSQXEVSA-N 1 0 205.301 1.854 40 0 BDABRO COc1cc(CC[NH3+])cc(Br)c1O ZINC000019279872 344065602 /nfs/dbraw/zinc/06/56/02/344065602.db2.gz DFLMHXPBJMWDQX-UHFFFAOYSA-N 1 0 246.104 1.665 40 0 BDABRO CC(C)(Cn1cc(C[NH3+])nn1)c1ccccc1 ZINC000585143419 344178366 /nfs/dbraw/zinc/17/83/66/344178366.db2.gz KQQUBDRCSIWQEG-UHFFFAOYSA-N 1 0 230.315 1.715 40 0 BDABRO OC[C@H]1CCn2nccc2C[N@@H+]1C1CCCC1 ZINC000585097847 344130877 /nfs/dbraw/zinc/13/08/77/344130877.db2.gz RVCURRPSLNHMHP-CYBMUJFWSA-N 1 0 235.331 1.392 40 0 BDABRO COC(=O)c1cc2c(c(F)c1)[C@H]([NH3+])CC2 ZINC000238383614 344134223 /nfs/dbraw/zinc/13/42/23/344134223.db2.gz WRIPLDISBGJDLL-SECBINFHSA-N 1 0 209.220 1.558 40 0 BDABRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)C1 ZINC000585107648 344134897 /nfs/dbraw/zinc/13/48/97/344134897.db2.gz FVJUDDRDRDTKJG-AAEUAGOBSA-N 1 0 248.301 1.602 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccc(C)c1 ZINC000067173367 345715948 /nfs/dbraw/zinc/71/59/48/345715948.db2.gz IRQBRAFXEUYDDN-VXGBXAGGSA-N 1 0 219.284 1.471 40 0 BDABRO Cc1cccc(-c2ccnn2CC[NH3+])c1 ZINC000096527689 178994481 /nfs/dbraw/zinc/99/44/81/178994481.db2.gz YMJLRVWNIWMHRH-UHFFFAOYSA-N 1 0 201.273 1.817 40 0 BDABRO CCCCOC[C@@H](O)C[NH+]1CCCC1 ZINC000002565712 346219862 /nfs/dbraw/zinc/21/98/62/346219862.db2.gz HKVKWLILAGJVST-NSHDSACASA-N 1 0 201.310 1.260 40 0 BDABRO Cc1cccc(CN2CC[C@]23CCC[NH2+]C3)n1 ZINC000096239475 179081134 /nfs/dbraw/zinc/08/11/34/179081134.db2.gz SDEWBHMQHJQBFU-AWEZNQCLSA-N 1 0 231.343 1.718 40 0 BDABRO COC(=O)C[C@@H]([NH3+])/C=C/c1ccccc1 ZINC000003851804 346582071 /nfs/dbraw/zinc/58/20/71/346582071.db2.gz HMZLJECLQZBGRA-AEZGRPFRSA-N 1 0 205.257 1.590 40 0 BDABRO CC[NH+](CC)CC(=O)Nc1ccc(C)c(N)c1 ZINC000008703612 346682078 /nfs/dbraw/zinc/68/20/78/346682078.db2.gz WLRIWCQOZKJWKP-UHFFFAOYSA-N 1 0 235.331 1.858 40 0 BDABRO Cc1cccc(NC[C@H]2COCC[NH2+]2)c1 ZINC000216592302 179149421 /nfs/dbraw/zinc/14/94/21/179149421.db2.gz WHTGKLAAZQRAMK-LBPRGKRZSA-N 1 0 206.289 1.395 40 0 BDABRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000097759034 347285686 /nfs/dbraw/zinc/28/56/86/347285686.db2.gz LXHKJNUHNLXPDI-UWVGGRQHSA-N 1 0 228.336 1.981 40 0 BDABRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1[NH3+] ZINC000097759072 347285781 /nfs/dbraw/zinc/28/57/81/347285781.db2.gz JJWSEQIPGLDBOO-NXEZZACHSA-N 1 0 228.336 1.981 40 0 BDABRO Cn1nccc1-c1cnc(C[C@@H]2CC[NH2+]C2)cn1 ZINC000205683407 347453762 /nfs/dbraw/zinc/45/37/62/347453762.db2.gz VHKQBJGXAWSZNX-JTQLQIEISA-N 1 0 243.314 1.029 40 0 BDABRO Cc1ccccc1CN(CC[NH3+])C1CC1 ZINC000032010387 179271558 /nfs/dbraw/zinc/27/15/58/179271558.db2.gz VUCSKGMNVZVQCV-UHFFFAOYSA-N 1 0 204.317 1.918 40 0 BDABRO Cc1ccccc1C[N@H+](CCO)C1CC1 ZINC000048065241 179272456 /nfs/dbraw/zinc/27/24/56/179272456.db2.gz WWWNGMQQKGGNQK-UHFFFAOYSA-N 1 0 205.301 1.952 40 0 BDABRO Cc1ccccc1CNC[C@H]1CCC[NH2+]1 ZINC000072203995 179280968 /nfs/dbraw/zinc/28/09/68/179280968.db2.gz OJDPFJQPNDUPRO-CYBMUJFWSA-N 1 0 204.317 1.837 40 0 BDABRO Cc1ccccc1CN1CC[NH2+][C@H](C)C1 ZINC000071509110 179273307 /nfs/dbraw/zinc/27/33/07/179273307.db2.gz AHSCUBOOOJRZMJ-GFCCVEGCSA-N 1 0 204.317 1.789 40 0 BDABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2[nH]cnc2C)C1 ZINC000205682401 348574690 /nfs/dbraw/zinc/57/46/90/348574690.db2.gz BYDPZSNVOPKLAD-LLVKDONJSA-N 1 0 245.330 1.739 40 0 BDABRO C[NH+]1CCC(c2cncc(-c3cc[nH]n3)n2)CC1 ZINC000205689212 348575073 /nfs/dbraw/zinc/57/50/73/348575073.db2.gz BCWSZSAHQXKXTH-UHFFFAOYSA-N 1 0 243.314 1.676 40 0 BDABRO c1ccc(N[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000306123344 538042416 /nfs/dbraw/zinc/04/24/16/538042416.db2.gz AKOZROPGJXWSAW-STQMWFEESA-N 1 0 218.300 1.620 40 0 BDABRO Cc1nc2c(c(N3CC[C@H]([NH3+])C3)n1)CCCC2 ZINC000096516909 180067772 /nfs/dbraw/zinc/06/77/72/180067772.db2.gz DSWFTYHKSAYEQJ-JTQLQIEISA-N 1 0 232.331 1.201 40 0 BDABRO Cn1cc([C@@H](CO)[NH2+]Cc2ccccc2)cn1 ZINC000038111019 350307287 /nfs/dbraw/zinc/30/72/87/350307287.db2.gz ZFQNBKUMRKZNHA-CYBMUJFWSA-N 1 0 231.299 1.243 40 0 BDABRO O=C(c1ccc(F)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932123 350321949 /nfs/dbraw/zinc/32/19/49/350321949.db2.gz VSSQENKHBSPCNR-ZDUSSCGKSA-N 1 0 248.301 1.746 40 0 BDABRO CC[C@](C(N)=[NH2+])(c1ccccc1)N(C)C ZINC000031629025 350396975 /nfs/dbraw/zinc/39/69/75/350396975.db2.gz DWHSFAHUKWWLSI-GFCCVEGCSA-N 1 0 205.305 1.789 40 0 BDABRO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000038538993 362959580 /nfs/dbraw/zinc/95/95/80/362959580.db2.gz UZHDRWCLLDGXLC-GFCCVEGCSA-N 1 0 209.264 1.701 40 0 BDABRO Clc1ccc(CN[C@@H]2CC[NH2+]C2)cn1 ZINC000072203650 180580942 /nfs/dbraw/zinc/58/09/42/180580942.db2.gz SEGUSOGTXBNIMQ-SECBINFHSA-N 1 0 211.696 1.187 40 0 BDABRO OC[C@@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000105639324 352075920 /nfs/dbraw/zinc/07/59/20/352075920.db2.gz DXYYAFINPZAKJE-ONGXEEELSA-N 1 0 211.692 1.635 40 0 BDABRO CCCCCCOC(=O)NCCSC(N)=[NH2+] ZINC000005973046 168672118 /nfs/dbraw/zinc/67/21/18/168672118.db2.gz XYUFTFIFNOXCDH-UHFFFAOYSA-N 1 0 247.364 1.920 40 0 BDABRO CC1(C)O[C@@]2(C)CC[C@@H]1[C@@H](O)[C@H]2[NH+]1CCCC1 ZINC000008659409 187760014 /nfs/dbraw/zinc/76/00/14/187760014.db2.gz QKGZDMXHXCXTMP-BYNQJWBRSA-N 1 0 239.359 1.789 40 0 BDABRO C/C=C(/C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000156541466 187812649 /nfs/dbraw/zinc/81/26/49/187812649.db2.gz YSCOJTNVPYCWEG-MTUFZTHRSA-N 1 0 210.321 1.538 40 0 BDABRO NC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000038539360 188464494 /nfs/dbraw/zinc/46/44/94/188464494.db2.gz GXQKGPXAUSBDLY-LLVKDONJSA-N 1 0 204.273 1.253 40 0 BDABRO Fc1ccc2c(c1)COC21CC[NH2+]CC1 ZINC000114483872 180987529 /nfs/dbraw/zinc/98/75/29/180987529.db2.gz QAEQUICBVZIZRS-UHFFFAOYSA-N 1 0 207.248 1.935 40 0 BDABRO Fc1cccc(N[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC000096220026 181001849 /nfs/dbraw/zinc/00/18/49/181001849.db2.gz LXCJXVRSQHKXCM-QWHCGFSZSA-N 1 0 236.290 1.759 40 0 BDABRO Fc1ccccc1-n1cc2c(n1)CC[NH2+]C2 ZINC000084930855 181010117 /nfs/dbraw/zinc/01/01/17/181010117.db2.gz KTYXLQMVVMJNRA-UHFFFAOYSA-N 1 0 217.247 1.657 40 0 BDABRO NC(=[NH2+])c1cc(F)ccc1Br ZINC000199752827 181194218 /nfs/dbraw/zinc/19/42/18/181194218.db2.gz AUMFCZVXNMUZQS-UHFFFAOYSA-N 1 0 217.041 1.872 40 0 BDABRO [NH2+]=C(OC1CCCCC1)N1CCOCC1 ZINC000012417385 181206221 /nfs/dbraw/zinc/20/62/21/181206221.db2.gz NRYWUVJKJREPDS-UHFFFAOYSA-N 1 0 212.293 1.603 40 0 BDABRO NC(=O)[C@H]([NH3+])CC12CC3CC(CC(C3)C1)C2 ZINC000003593061 181277262 /nfs/dbraw/zinc/27/72/62/181277262.db2.gz GIFUIGLMTVCHRC-VBRVDACPSA-N 1 0 222.332 1.406 40 0 BDABRO Cc1cccc(C[C@H]2CC[NH2+]C[C@H]2O)c1 ZINC000075130930 356869938 /nfs/dbraw/zinc/86/99/38/356869938.db2.gz FFAHRXOHOJHGQR-CHWSQXEVSA-N 1 0 205.301 1.508 40 0 BDABRO O[C@]1(COc2ccc(F)cc2)CCC[NH2+]CC1 ZINC000399616383 356987810 /nfs/dbraw/zinc/98/78/10/356987810.db2.gz RFQVZENGVALTFZ-CYBMUJFWSA-N 1 0 239.290 1.709 40 0 BDABRO COC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000395945384 357261476 /nfs/dbraw/zinc/26/14/76/357261476.db2.gz HMFJHULFPFXJEC-NEPJUHHUSA-N 1 0 240.347 1.156 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)s1 ZINC000396889227 357871332 /nfs/dbraw/zinc/87/13/32/357871332.db2.gz WRHCTXZASIJEAF-RKDXNWHRSA-N 1 0 225.313 1.533 40 0 BDABRO CSCC[C@H]([NH3+])C(=O)N1CCC[C@H](C)C1 ZINC000040457856 358670561 /nfs/dbraw/zinc/67/05/61/358670561.db2.gz SBQDBDHESJQRNU-UWVGGRQHSA-N 1 0 230.377 1.325 40 0 BDABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1C ZINC000067173360 359024982 /nfs/dbraw/zinc/02/49/82/359024982.db2.gz DXKKIJWBEMULEW-VXGBXAGGSA-N 1 0 219.284 1.471 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)s1 ZINC000396889221 359880347 /nfs/dbraw/zinc/88/03/47/359880347.db2.gz WRHCTXZASIJEAF-BDAKNGLRSA-N 1 0 225.313 1.533 40 0 BDABRO NC(=O)c1ccc[n+](CCc2ccccc2)c1 ZINC000001634205 181302508 /nfs/dbraw/zinc/30/25/08/181302508.db2.gz VZIZKTYOXXTZEF-UHFFFAOYSA-O 1 0 227.287 1.316 40 0 BDABRO CCCNc1ncc(C[NH2+]CCOC)cn1 ZINC000062717703 259521821 /nfs/dbraw/zinc/52/18/21/259521821.db2.gz WGFUDRQCEBOTOE-UHFFFAOYSA-N 1 0 224.308 1.035 40 0 BDABRO CC(C)(O)c1cc2c(nc1N)CCCC2 ZINC000257197996 370682402 /nfs/dbraw/zinc/68/24/02/370682402.db2.gz PKEJUNVLYWIAKH-UHFFFAOYSA-N 1 0 206.289 1.770 40 0 BDABRO c1cnc(N2CCOCC2)c(C2=[NH+]CCCC2)c1 ZINC000072216233 259528259 /nfs/dbraw/zinc/52/82/59/259528259.db2.gz ZZENYJAXZKWMGP-UHFFFAOYSA-N 1 0 245.326 1.891 40 0 BDABRO [NH3+]CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000019486498 181353039 /nfs/dbraw/zinc/35/30/39/181353039.db2.gz VYFKYKSULVGBAQ-UHFFFAOYSA-N 1 0 232.205 1.280 40 0 BDABRO Cc1nc(N(C)C)ccc1[C@@H]1CCC[NH2+]1 ZINC000072218722 259529864 /nfs/dbraw/zinc/52/98/64/259529864.db2.gz CNDMPEUFKDLJCO-NSHDSACASA-N 1 0 205.305 1.881 40 0 BDABRO CC(C)[NH+]1CCN(c2ccc([C@@H](C)O)cn2)CC1 ZINC000072225610 259532869 /nfs/dbraw/zinc/53/28/69/259532869.db2.gz OFVVRQQCGDDLAK-GFCCVEGCSA-N 1 0 249.358 1.665 40 0 BDABRO [NH3+]CCOCc1nc(C2CCC2)cs1 ZINC000096528176 181399138 /nfs/dbraw/zinc/39/91/38/181399138.db2.gz XSQLKMPFXIRTKG-UHFFFAOYSA-N 1 0 212.318 1.886 40 0 BDABRO [NH3+]CCOCc1ccccc1OC(F)F ZINC000089262705 181399621 /nfs/dbraw/zinc/39/96/21/181399621.db2.gz NIOBIAYSHAETBK-UHFFFAOYSA-N 1 0 217.215 1.763 40 0 BDABRO c1ccc(C[C@@H]2COC3(C2)CC[NH2+]CC3)nc1 ZINC000205674888 368357173 /nfs/dbraw/zinc/35/71/73/368357173.db2.gz KXWYPWVXVDJRRD-LBPRGKRZSA-N 1 0 232.327 1.783 40 0 BDABRO c1ncc(C[C@H]2COC3(C2)CC[NH2+]CC3)cn1 ZINC000205674750 368357207 /nfs/dbraw/zinc/35/72/07/368357207.db2.gz JONBDBCGBXQMBZ-LLVKDONJSA-N 1 0 233.315 1.178 40 0 BDABRO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccccn1 ZINC000027707974 370395406 /nfs/dbraw/zinc/39/54/06/370395406.db2.gz XTVJYMDZPSHWLC-GFCCVEGCSA-N 1 0 241.294 1.590 40 0 BDABRO O=C(CCN1CC[NH2+]CC1)c1ccccc1 ZINC000019366311 371136162 /nfs/dbraw/zinc/13/61/62/371136162.db2.gz GZXSVSMPRXVXNJ-UHFFFAOYSA-N 1 0 218.300 1.165 40 0 BDABRO [NH3+][C@H]1CCCN(Cc2cccnc2Cl)C1 ZINC000052709616 181645326 /nfs/dbraw/zinc/64/53/26/181645326.db2.gz OMBVUUXYYQSCMF-JTQLQIEISA-N 1 0 225.723 1.658 40 0 BDABRO CCOCC[N@@H+]1C[C@H](O)C[C@H]1CC(C)C ZINC000252514335 259548341 /nfs/dbraw/zinc/54/83/41/259548341.db2.gz CKPGDQNLDMXXFP-VXGBXAGGSA-N 1 0 215.337 1.504 40 0 BDABRO CS(=O)(=O)[C@@H]1[C@H]([NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000252515282 259548199 /nfs/dbraw/zinc/54/81/99/259548199.db2.gz IDKGHMDCFUPBRN-BBBLOLIVSA-N 1 0 245.731 1.178 40 0 BDABRO O=C(Cc1ccccc1)NCCC[NH+]1CCCC1 ZINC000005772870 182044416 /nfs/dbraw/zinc/04/44/16/182044416.db2.gz KMWOMIUDMDWVBC-UHFFFAOYSA-N 1 0 246.354 1.831 40 0 BDABRO C[NH+](C)CCOC(=O)c1ccc(C=O)cc1 ZINC000001720511 205456473 /nfs/dbraw/zinc/45/64/73/205456473.db2.gz VECUDHYXZCKUOH-UHFFFAOYSA-N 1 0 221.256 1.218 40 0 BDABRO Clc1ccc(N[C@@H]2CCC[NH2+]C2)nn1 ZINC000040434769 373262656 /nfs/dbraw/zinc/26/26/56/373262656.db2.gz ZXXZVLXIWPBODK-SSDOTTSWSA-N 1 0 212.684 1.294 40 0 BDABRO O=C(NC1CC1)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC000096047405 182095737 /nfs/dbraw/zinc/09/57/37/182095737.db2.gz FXGCGYXVQJQRSA-CYBMUJFWSA-N 1 0 237.347 1.467 40 0 BDABRO O=C(NCCC[NH+]1CCCCC1)C1CC1 ZINC000070245139 182167855 /nfs/dbraw/zinc/16/78/55/182167855.db2.gz RXZWFDYZAJZYAR-UHFFFAOYSA-N 1 0 210.321 1.389 40 0 BDABRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000019267107 182295109 /nfs/dbraw/zinc/29/51/09/182295109.db2.gz IHTFFUDIRRGOPF-LLVKDONJSA-N 1 0 222.263 1.308 40 0 BDABRO CCOCC[NH+]1CCC(c2cnccn2)CC1 ZINC000257284087 170398882 /nfs/dbraw/zinc/39/88/82/170398882.db2.gz PBENKONREHCMEE-UHFFFAOYSA-N 1 0 235.331 1.693 40 0 BDABRO OC1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000047874161 183028842 /nfs/dbraw/zinc/02/88/42/183028842.db2.gz MKCGRRDPNMPJCL-LBPRGKRZSA-N 1 0 249.310 1.283 40 0 BDABRO OC1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000047874162 183029748 /nfs/dbraw/zinc/02/97/48/183029748.db2.gz MKCGRRDPNMPJCL-GFCCVEGCSA-N 1 0 249.310 1.283 40 0 BDABRO OCC[C@@H](CC[NH+]1CCOCC1)c1ccccc1 ZINC000217799698 183089793 /nfs/dbraw/zinc/08/97/93/183089793.db2.gz LFIRDFCCLFIAAB-OAHLLOKOSA-N 1 0 249.354 1.875 40 0 BDABRO OC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000041218395 183114465 /nfs/dbraw/zinc/11/44/65/183114465.db2.gz DQZVRBXXYWMOAO-LBPRGKRZSA-N 1 0 209.264 1.955 40 0 BDABRO OC[C@@H](c1ccccc1)[n+]1ccccc1 ZINC000006582100 183114580 /nfs/dbraw/zinc/11/45/80/183114580.db2.gz OFFRLEPYOPNDME-ZDUSSCGKSA-N 1 0 200.261 1.556 40 0 BDABRO OC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000041218386 183114597 /nfs/dbraw/zinc/11/45/97/183114597.db2.gz IMBVHIILFBPELX-LBPRGKRZSA-N 1 0 209.264 1.955 40 0 BDABRO OCc1cc([C@H]2CCCC[N@@H+]2CC2CC2)[nH]n1 ZINC000072383318 183162009 /nfs/dbraw/zinc/16/20/09/183162009.db2.gz IVQBZXNTZNPPCY-CYBMUJFWSA-N 1 0 235.331 1.839 40 0 BDABRO O[C@@H](C[NH2+]C1CC1)COc1ccc(F)cc1 ZINC000032014944 183178338 /nfs/dbraw/zinc/17/83/38/183178338.db2.gz RPPVFDIILKPXNW-NSHDSACASA-N 1 0 225.263 1.317 40 0 BDABRO O[C@@H](C[n+]1ccccc1)c1cccs1 ZINC000001666240 183183793 /nfs/dbraw/zinc/18/37/93/183183793.db2.gz RIMUMPPVUKSRKZ-JTQLQIEISA-N 1 0 206.290 1.769 40 0 BDABRO O=C1CN(c2ccc3ccccc3c2)N=[O+]1 ZINC000001671301 183255774 /nfs/dbraw/zinc/25/57/74/183255774.db2.gz ZKDMASAOLMIRQV-UHFFFAOYSA-O 1 0 213.216 1.810 40 0 BDABRO c1c[nH]c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000096516146 183323693 /nfs/dbraw/zinc/32/36/93/183323693.db2.gz XROOZUDKNDKYTD-SSDOTTSWSA-N 1 0 204.233 1.489 40 0 BDABRO c1cc(-c2ccc(C[C@H]3CC[NH2+]C3)cn2)n[nH]1 ZINC000257325270 183329206 /nfs/dbraw/zinc/32/92/06/183329206.db2.gz WSFBPNTVXJCQMF-LLVKDONJSA-N 1 0 228.299 1.624 40 0 BDABRO c1cc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000257316640 183329356 /nfs/dbraw/zinc/32/93/56/183329356.db2.gz VGKRXFNXBQOLNW-SNVBAGLBSA-N 1 0 228.299 1.939 40 0 BDABRO c1cc(-c2noc([C@H]3CC[NH2+]C3)n2)ccn1 ZINC000062119521 183333567 /nfs/dbraw/zinc/33/35/67/183333567.db2.gz ASEGOMPSKMWUQT-VIFPVBQESA-N 1 0 216.244 1.209 40 0 BDABRO c1cc([C@H]2C[NH2+]CCO2)ncc1N1CCCC1 ZINC000072386375 183363388 /nfs/dbraw/zinc/36/33/88/183363388.db2.gz IHIYWNRMJRKXHH-CYBMUJFWSA-N 1 0 233.315 1.343 40 0 BDABRO CCC[NH2+]C[C@@H](O)Cc1ccc(OCC)cc1 ZINC000006380465 169262228 /nfs/dbraw/zinc/26/22/28/169262228.db2.gz HLJJIHKXUZIEOH-ZDUSSCGKSA-N 1 0 237.343 1.988 40 0 BDABRO c1ccc(CN2CCC[C@]3(C[NH2+]CCO3)C2)nc1 ZINC000096226818 183399631 /nfs/dbraw/zinc/39/96/31/183399631.db2.gz UBQSDDNENFMEHT-AWEZNQCLSA-N 1 0 247.342 1.036 40 0 BDABRO c1ccc(OC[C@]23CCCO[C@H]2CC[NH2+]C3)nc1 ZINC000306124159 183420337 /nfs/dbraw/zinc/42/03/37/183420337.db2.gz BHZQARMEHHZSCO-GXTWGEPZSA-N 1 0 248.326 1.619 40 0 BDABRO c1cn(-c2cncc([C@H]3CCC[NH2+]C3)n2)cn1 ZINC000072355917 183465612 /nfs/dbraw/zinc/46/56/12/183465612.db2.gz OFTWBRDKVJUEKZ-JTQLQIEISA-N 1 0 229.287 1.129 40 0 BDABRO c1nc([C@@H]2C[NH2+]CC23CCCCC3)no1 ZINC000328579614 183537278 /nfs/dbraw/zinc/53/72/78/183537278.db2.gz RJEBXOKUDQUVPH-VIFPVBQESA-N 1 0 207.277 1.707 40 0 BDABRO C[C@H]([NH3+])C(=O)NCc1c(F)cccc1Cl ZINC000057519029 383849890 /nfs/dbraw/zinc/84/98/90/383849890.db2.gz XWEXCOLQVNUSSA-LURJTMIESA-N 1 0 230.670 1.443 40 0 BDABRO C[N@@H+](Cc1ccccc1)Cn1ccnc1 ZINC000001705807 383925489 /nfs/dbraw/zinc/92/54/89/383925489.db2.gz FQKLSTBZMJQKIB-UHFFFAOYSA-N 1 0 201.273 1.973 40 0 in-vitro BDABRO CC(C)Cn1c(=O)ccc2c1CCC[C@@H]2[NH3+] ZINC000088023784 383889299 /nfs/dbraw/zinc/88/92/99/383889299.db2.gz TZAQCGZNPMEWJZ-NSHDSACASA-N 1 0 220.316 1.840 40 0 BDABRO C[C@H]([NH3+])COCc1c(F)cccc1F ZINC000089262673 383955446 /nfs/dbraw/zinc/95/54/46/383955446.db2.gz PWCFJODXYBAUMJ-ZETCQYMHSA-N 1 0 201.216 1.829 40 0 BDABRO c1ccc2oc(N[C@H]3CCC[NH2+]C3)nc2c1 ZINC000070950176 383971856 /nfs/dbraw/zinc/97/18/56/383971856.db2.gz INYWVSPNOGJHHQ-VIFPVBQESA-N 1 0 217.272 1.992 40 0 BDABRO O=C1OCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000002547042 383973475 /nfs/dbraw/zinc/97/34/75/383973475.db2.gz XLCRTPSFIQQHEF-STQMWFEESA-N 1 0 231.295 1.682 40 0 BDABRO COC(=O)[C@H]1CC[NH2+][C@@H]1c1ccccc1 ZINC000035244431 384022873 /nfs/dbraw/zinc/02/28/73/384022873.db2.gz CQACFNSKPYNJEE-WDEREUQCSA-N 1 0 205.257 1.510 40 0 BDABRO N#[N+]c1ccccc1-c1nc(N)nc(N)n1 ZINC000005053097 384097495 /nfs/dbraw/zinc/09/74/95/384097495.db2.gz XRFGEYIYKREURC-UHFFFAOYSA-N 1 0 214.212 1.188 40 0 BDABRO C[N@H+](Cc1ccccc1)[C@H]1CCCN(CCO)C1 ZINC000079414128 384135036 /nfs/dbraw/zinc/13/50/36/384135036.db2.gz CUNBLCVPFGTCRK-HNNXBMFYSA-N 1 0 248.370 1.575 40 0 BDABRO CC(C)[N@H+](CCO)[C@@H]1CCCC[C@@H]1N(C)C ZINC000079406075 384135927 /nfs/dbraw/zinc/13/59/27/384135927.db2.gz FUGWAFHEEDYZQR-QWHCGFSZSA-N 1 0 228.380 1.562 40 0 BDABRO Cc1ccsc1CN(C(=O)C[NH3+])C(C)C ZINC000079436278 384146916 /nfs/dbraw/zinc/14/69/16/384146916.db2.gz MYIOGNPHWWMRBH-UHFFFAOYSA-N 1 0 226.345 1.752 40 0 BDABRO C[C@H]([NH3+])C(=O)N(C)Cc1nccc2ccccc21 ZINC000079422196 384147015 /nfs/dbraw/zinc/14/70/15/384147015.db2.gz HKFMSTLHOMZFSA-JTQLQIEISA-N 1 0 243.310 1.540 40 0 BDABRO CC(C)[N@H+](CCO)[C@H](C)c1ccccn1 ZINC000079421741 384144250 /nfs/dbraw/zinc/14/42/50/384144250.db2.gz YFGBJFKWCOZWES-LLVKDONJSA-N 1 0 208.305 1.845 40 0 BDABRO C1CC(c2nc([C@@H]3CCC[NH2+]C3)no2)C1 ZINC000062257230 384163190 /nfs/dbraw/zinc/16/31/90/384163190.db2.gz FCSVHMUMDBTIFO-SECBINFHSA-N 1 0 207.277 1.804 40 0 BDABRO Cc1ccnc([C@@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072357389 384212704 /nfs/dbraw/zinc/21/27/04/384212704.db2.gz NHXSCNCDUCCRPC-NSHDSACASA-N 1 0 248.330 1.010 40 0 BDABRO Cn1cnnc1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000072361352 384214227 /nfs/dbraw/zinc/21/42/27/384214227.db2.gz YZBFAMUZUGTYNX-NSHDSACASA-N 1 0 220.320 1.405 40 0 BDABRO CNc1cccc(C2CC[NH+](CCO)CC2)n1 ZINC000072381315 384216710 /nfs/dbraw/zinc/21/67/10/384216710.db2.gz PRGJJANEEDNJHF-UHFFFAOYSA-N 1 0 235.331 1.295 40 0 BDABRO c1cnc([C@H]2CCC[N@@H+]2C2CCOCC2)cn1 ZINC000072381933 384217706 /nfs/dbraw/zinc/21/77/06/384217706.db2.gz MZQJNDLGTHLJRK-CYBMUJFWSA-N 1 0 233.315 1.793 40 0 BDABRO FC(F)CNc1cnc([C@H]2CCC[NH2+]C2)cn1 ZINC000072386919 384218728 /nfs/dbraw/zinc/21/87/28/384218728.db2.gz HUWFCHXNWPUYDJ-QMMMGPOBSA-N 1 0 242.273 1.621 40 0 BDABRO Cc1nn(C)cc1C[N@@H+]1CC[C@H](c2cc[nH]n2)C1 ZINC000072383359 384219053 /nfs/dbraw/zinc/21/90/53/384219053.db2.gz SEFPCQQQNSYGLB-NSHDSACASA-N 1 0 245.330 1.441 40 0 BDABRO Cc1nc(C2CC[NH2+]CC2)cc(-n2ccnc2)n1 ZINC000072386554 384219257 /nfs/dbraw/zinc/21/92/57/384219257.db2.gz MKVKETWZNYYEHU-UHFFFAOYSA-N 1 0 243.314 1.438 40 0 BDABRO Cc1ccc(CC2CC[NH+](CC(N)=O)CC2)nc1 ZINC000072383234 384220061 /nfs/dbraw/zinc/22/00/61/384220061.db2.gz HANCVFTXNMSPBJ-UHFFFAOYSA-N 1 0 247.342 1.130 40 0 BDABRO c1cn(-c2ccc(CC[C@@H]3CCC[NH2+]3)nn2)cn1 ZINC000072386552 384220431 /nfs/dbraw/zinc/22/04/31/384220431.db2.gz ISFPDXKHOCQVAD-NSHDSACASA-N 1 0 243.314 1.347 40 0 BDABRO [NH3+]Cc1cn(-c2ccccc2Cl)cn1 ZINC000082532962 384228033 /nfs/dbraw/zinc/22/80/33/384228033.db2.gz GRLWMNFXOPYTMJ-UHFFFAOYSA-N 1 0 207.664 1.984 40 0 BDABRO CCO[C@H](Cc1ccccc1)N1CC[NH2+]CC1 ZINC000095887342 384404613 /nfs/dbraw/zinc/40/46/13/384404613.db2.gz FWVMRBIZUKGBTN-CQSZACIVSA-N 1 0 234.343 1.497 40 0 BDABRO CC(=O)Oc1cccc2ccc[n+](C)c21 ZINC000000372370 384416188 /nfs/dbraw/zinc/41/61/88/384416188.db2.gz DJMBTVQYVRRVEO-UHFFFAOYSA-N 1 0 202.233 1.590 40 0 BDABRO Cc1ccc(C(=O)NCCC[NH+](C)C)c(C)c1 ZINC000013915955 384378159 /nfs/dbraw/zinc/37/81/59/384378159.db2.gz JKMDGAHJPPAYHG-UHFFFAOYSA-N 1 0 234.343 1.985 40 0 BDABRO CC(C)N(C)Cc1noc2c1C[NH2+]CC2 ZINC000096259794 384445482 /nfs/dbraw/zinc/44/54/82/384445482.db2.gz BJPKBLDZWNQSAJ-UHFFFAOYSA-N 1 0 209.293 1.161 40 0 BDABRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH2+]CC2 ZINC000096261137 384446992 /nfs/dbraw/zinc/44/69/92/384446992.db2.gz HXYNGPKTPKGFOO-ZDUSSCGKSA-N 1 0 244.338 1.755 40 0 BDABRO CC(C)CC[NH+](CCC(C)C)CC(N)=O ZINC000001644051 384428607 /nfs/dbraw/zinc/42/86/07/384428607.db2.gz KGRLMVSXSWYAJE-UHFFFAOYSA-N 1 0 214.353 1.866 40 0 BDABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]21 ZINC000096056443 384429049 /nfs/dbraw/zinc/42/90/49/384429049.db2.gz FXICUZAPLUJZOB-NEPJUHHUSA-N 1 0 249.314 1.144 40 0 BDABRO O=C1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)N1 ZINC000096056445 384429493 /nfs/dbraw/zinc/42/94/93/384429493.db2.gz PMAUNOZIUYUCLB-OLZOCXBDSA-N 1 0 248.301 1.679 40 0 BDABRO Fc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000096054904 384429563 /nfs/dbraw/zinc/42/95/63/384429563.db2.gz LDJGRYCIZOHOAG-TXEJJXNPSA-N 1 0 221.275 1.904 40 0 BDABRO [NH3+][C@]12C[C@H]1CN(C(=O)NC1CCCCC1)C2 ZINC000096054895 384429870 /nfs/dbraw/zinc/42/98/70/384429870.db2.gz LDRYVWPNCNQXTA-CABZTGNLSA-N 1 0 223.320 1.062 40 0 BDABRO CCO[C@H]1C[N@H+](CC2CC2)[C@@H]2CCCO[C@@H]21 ZINC000096057442 384432356 /nfs/dbraw/zinc/43/23/56/384432356.db2.gz CQMJTBMOJKJCJD-AGIUHOORSA-N 1 0 225.332 1.665 40 0 BDABRO COC[C@]12CCCO[C@H]1CC[N@H+](CC1CC1)C2 ZINC000096056770 384432407 /nfs/dbraw/zinc/43/24/07/384432407.db2.gz UDHXMYVILOGCFL-UONOGXRCSA-N 1 0 239.359 1.914 40 0 BDABRO c1cncc(N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000096222816 384441837 /nfs/dbraw/zinc/44/18/37/384441837.db2.gz UABSRGDCVKHCIB-QWHCGFSZSA-N 1 0 233.315 1.405 40 0 BDABRO c1cc(-c2ncnc3c2CC[NH2+]CC3)co1 ZINC000096187626 384443127 /nfs/dbraw/zinc/44/31/27/384443127.db2.gz UKMPJZCIESBVLG-UHFFFAOYSA-N 1 0 215.256 1.425 40 0 BDABRO COC[C@H]1Cn2cncc2C[N@@H+](C2CCC2)C1 ZINC000096206790 384443673 /nfs/dbraw/zinc/44/36/73/384443673.db2.gz JOAKSVFAXPXOAP-LLVKDONJSA-N 1 0 235.331 1.514 40 0 BDABRO Cc1ccc(N2CCC[C@]3(CC[NH2+]C3)C2)nn1 ZINC000096217082 384443928 /nfs/dbraw/zinc/44/39/28/384443928.db2.gz YUPQVENGVMINEX-CYBMUJFWSA-N 1 0 232.331 1.365 40 0 BDABRO C[NH+](C)CCNC(=O)Cc1ccccc1Cl ZINC000047653278 384460564 /nfs/dbraw/zinc/46/05/64/384460564.db2.gz AXIFWTRUDBQAML-UHFFFAOYSA-N 1 0 240.734 1.560 40 0 BDABRO COCCn1cccc1C[NH2+]CC(C)C ZINC000085584111 384538564 /nfs/dbraw/zinc/53/85/64/384538564.db2.gz FCXIBJBWEBDMLS-UHFFFAOYSA-N 1 0 210.321 1.880 40 0 BDABRO O=C1CCC[C@@H]2[NH2+]C[C@@H](c3cccc(F)c3)[C@@H]2N1 ZINC000248002575 384574432 /nfs/dbraw/zinc/57/44/32/384574432.db2.gz RKJMJKFYRCNIRL-OBJOEFQTSA-N 1 0 248.301 1.550 40 0 BDABRO COc1ccnc(C2(C[NH3+])CCOCC2)c1 ZINC000083307429 384626754 /nfs/dbraw/zinc/62/67/54/384626754.db2.gz OSZLQODIPLFCNR-UHFFFAOYSA-N 1 0 222.288 1.097 40 0 BDABRO Cc1noc(C[C@H]([NH3+])c2ccccc2)n1 ZINC000021806824 384692242 /nfs/dbraw/zinc/69/22/42/384692242.db2.gz DGYTXYALZMGNJZ-JTQLQIEISA-N 1 0 203.245 1.621 40 0 BDABRO FC(F)(F)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC000051868108 384697917 /nfs/dbraw/zinc/69/79/17/384697917.db2.gz XMHSNLFIFFOPKE-SSDOTTSWSA-N 1 0 232.205 1.841 40 0 BDABRO c1ccc2oc(N[C@@H]3CC[NH2+]C3)nc2c1 ZINC000052093986 384718702 /nfs/dbraw/zinc/71/87/02/384718702.db2.gz VYQYAZCMWKTVCW-MRVPVSSYSA-N 1 0 203.245 1.602 40 0 BDABRO CSc1ncc(Br)c(C[NH3+])n1 ZINC000306455044 384862044 /nfs/dbraw/zinc/86/20/44/384862044.db2.gz AAVSPHABPHTEJY-UHFFFAOYSA-N 1 0 234.122 1.420 40 0 BDABRO O=C(Nc1ccc(O)cc1)[C@H]1CCCCC[NH2+]1 ZINC000083896828 384921960 /nfs/dbraw/zinc/92/19/60/384921960.db2.gz RSZVOXNMSDIVQS-GFCCVEGCSA-N 1 0 234.299 1.863 40 0 BDABRO [NH3+]CCc1ccn(-c2cccc(F)c2)n1 ZINC000057218408 384931424 /nfs/dbraw/zinc/93/14/24/384931424.db2.gz ILXGOZUTXPJJLC-UHFFFAOYSA-N 1 0 205.236 1.513 40 0 BDABRO CCCCCNC(=O)C1CC[NH+](C)CC1 ZINC000058518236 385010915 /nfs/dbraw/zinc/01/09/15/385010915.db2.gz HISBTXQJJKDIBQ-UHFFFAOYSA-N 1 0 212.337 1.635 40 0 BDABRO COc1ccc2onc(N3CC[NH2+]CC3)c2c1 ZINC000072208984 385065507 /nfs/dbraw/zinc/06/55/07/385065507.db2.gz VNQYJLHEHIVLEP-UHFFFAOYSA-N 1 0 233.271 1.246 40 0 BDABRO CCOC(=O)[C@H](CN)C(C)(C)[NH+](CC)CC ZINC000072210406 385067281 /nfs/dbraw/zinc/06/72/81/385067281.db2.gz IUKPPKDNBJULLZ-JTQLQIEISA-N 1 0 230.352 1.245 40 0 BDABRO c1cc([C@H]2CC[N@@H+](Cc3cccnc3)C2)n[nH]1 ZINC000072187654 385043271 /nfs/dbraw/zinc/04/32/71/385043271.db2.gz KWZYSLMHJALBIR-LBPRGKRZSA-N 1 0 228.299 1.794 40 0 BDABRO Cc1cc([C@H](C)[NH3+])cnc1N1CCOCC1 ZINC000072222514 385111124 /nfs/dbraw/zinc/11/11/24/385111124.db2.gz LGKIWZQUXJITOB-JTQLQIEISA-N 1 0 221.304 1.246 40 0 BDABRO CC(C)(C)OC(=O)N1CC[C@]([NH3+])(CF)C1 ZINC000089223438 385193877 /nfs/dbraw/zinc/19/38/77/385193877.db2.gz VCUPYPHVRNFASM-JTQLQIEISA-N 1 0 218.272 1.294 40 0 BDABRO c1cncc(-c2n[nH]c3c2[C@@H]2CC[C@H](C3)[NH2+]2)c1 ZINC000096510297 385246673 /nfs/dbraw/zinc/24/66/73/385246673.db2.gz MNDDWZHBPFTCEY-ZJUUUORDSA-N 1 0 226.283 1.821 40 0 BDABRO CCc1cc(N2CCC[NH2+]CC2)nc(C2CC2)n1 ZINC000096517008 385254506 /nfs/dbraw/zinc/25/45/06/385254506.db2.gz YLPPNGLKNZLBRO-UHFFFAOYSA-N 1 0 246.358 1.716 40 0 BDABRO CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1ccc(N)cc1 ZINC000096524826 385273893 /nfs/dbraw/zinc/27/38/93/385273893.db2.gz KWKNNVLPBMNHNZ-LDYMZIIASA-N 1 0 242.344 1.092 40 0 BDABRO CCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1cccc(N)c1 ZINC000096524827 385274957 /nfs/dbraw/zinc/27/49/57/385274957.db2.gz SXINRXGUKVZZGX-KWQFWETISA-N 1 0 242.344 1.092 40 0 BDABRO CC[C@H]([C@H]([NH3+])c1ccc(C)cc1)S(C)(=O)=O ZINC000096524884 385278431 /nfs/dbraw/zinc/27/84/31/385278431.db2.gz UMDNLKUZIWUFBZ-VXGBXAGGSA-N 1 0 241.356 1.818 40 0 BDABRO CC(C)Cc1nc(N)cc(C2CC[NH2+]CC2)n1 ZINC000096529258 385280530 /nfs/dbraw/zinc/28/05/30/385280530.db2.gz UAZZDZXENGWIKB-UHFFFAOYSA-N 1 0 234.347 1.724 40 0 BDABRO Cn1cccc1-c1noc([C@H]2CCC[NH2+]2)n1 ZINC000328579384 385488398 /nfs/dbraw/zinc/48/83/98/385488398.db2.gz DPWMWCAEEVPXDT-MRVPVSSYSA-N 1 0 218.260 1.500 40 0 BDABRO [NH3+][C@H]1CCN(c2ncccc2-n2cccc2)C1 ZINC000328579390 385488626 /nfs/dbraw/zinc/48/86/26/385488626.db2.gz FFHKBKGYLPGJKA-NSHDSACASA-N 1 0 228.299 1.410 40 0 BDABRO CCc1ccc(CC(=O)NCCC[NH+](C)C)cc1 ZINC000158215840 385553437 /nfs/dbraw/zinc/55/34/37/385553437.db2.gz KKRDVXCPAIPLNN-UHFFFAOYSA-N 1 0 248.370 1.859 40 0 BDABRO CCOC[C@@H]1C[N@H+](CC2CC2)Cc2ccnn21 ZINC000253383494 385673249 /nfs/dbraw/zinc/67/32/49/385673249.db2.gz LTZFAAQYFIPZDS-ZDUSSCGKSA-N 1 0 235.331 1.686 40 0 BDABRO c1cnc(OCC[C@H]2CCOC3(C[NH2+]C3)C2)nc1 ZINC000253596244 385686027 /nfs/dbraw/zinc/68/60/27/385686027.db2.gz OXMSVRVLWOOBHQ-NSHDSACASA-N 1 0 249.314 1.014 40 0 BDABRO CCN(CC)c1ccc([C@@H]2C[C@]2(C[NH3+])CO)cc1 ZINC000062713430 385697265 /nfs/dbraw/zinc/69/72/65/385697265.db2.gz PBYWNARSXHOGLV-GJZGRUSLSA-N 1 0 248.370 1.958 40 0 BDABRO CSc1ncc(C[NH2+]CC(C)C)cn1 ZINC000062717219 385713376 /nfs/dbraw/zinc/71/33/76/385713376.db2.gz KBYPARJCHFVQPW-UHFFFAOYSA-N 1 0 211.334 1.944 40 0 BDABRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccccc1 ZINC000020299944 385669406 /nfs/dbraw/zinc/66/94/06/385669406.db2.gz WZOCSNKLYHIBGU-SECBINFHSA-N 1 0 204.273 1.766 40 0 BDABRO c1n[nH]cc1-c1nccnc1C[C@@H]1CC[NH2+]C1 ZINC000257207400 385752607 /nfs/dbraw/zinc/75/26/07/385752607.db2.gz BHONPDHTMHDQOT-VIFPVBQESA-N 1 0 229.287 1.019 40 0 BDABRO Cn1nccc1-c1cnc(C2CC[NH2+]CC2)cn1 ZINC000257237357 385754840 /nfs/dbraw/zinc/75/48/40/385754840.db2.gz HGCDRTOCLUBYOE-UHFFFAOYSA-N 1 0 243.314 1.344 40 0 BDABRO C[C@]12CCC[NH2+][C@@H]1CCCN2Cc1ncc[nH]1 ZINC000257223799 385755411 /nfs/dbraw/zinc/75/54/11/385755411.db2.gz DYXZQYFQUOMKTG-YPMHNXCESA-N 1 0 234.347 1.516 40 0 BDABRO c1cc(-c2cc(C[C@H]3CCC[NH2+]C3)ncn2)n[nH]1 ZINC000257247201 385755586 /nfs/dbraw/zinc/75/55/86/385755586.db2.gz IXXPHEQITNRGJJ-SNVBAGLBSA-N 1 0 243.314 1.409 40 0 BDABRO Cn1cnnc1[C@@]1(C)CCC[N@H+](CC2CC2)C1 ZINC000257301248 385761434 /nfs/dbraw/zinc/76/14/34/385761434.db2.gz RXQYDNISDQUJGD-ZDUSSCGKSA-N 1 0 234.347 1.579 40 0 BDABRO C[NH+]1CCC(c2cc(CCO)on2)CC1 ZINC000257342289 385764116 /nfs/dbraw/zinc/76/41/16/385764116.db2.gz ZNZNNJXYJRVATJ-UHFFFAOYSA-N 1 0 210.277 1.019 40 0 BDABRO CN1CCC([N@@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC000257317689 385764170 /nfs/dbraw/zinc/76/41/70/385764170.db2.gz VKUNSVPFKSWEQH-AWEZNQCLSA-N 1 0 246.358 1.708 40 0 BDABRO Cc1cc(-c2cc(C[C@@H]3CC[NH2+]C3)ccn2)n[nH]1 ZINC000257334863 385765541 /nfs/dbraw/zinc/76/55/41/385765541.db2.gz YHRMUQBHJJCJJQ-LBPRGKRZSA-N 1 0 242.326 1.932 40 0 BDABRO Cc1nc(-c2cc[nH]n2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000257343268 385766996 /nfs/dbraw/zinc/76/69/96/385766996.db2.gz ZSGDJNOQYDAVJH-SNVBAGLBSA-N 1 0 243.314 1.642 40 0 BDABRO Cc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@H]2C[NH3+])cc1 ZINC000218250358 385899581 /nfs/dbraw/zinc/89/95/81/385899581.db2.gz HMWLFUBGCFWOGW-WOPDTQHZSA-N 1 0 239.340 1.080 40 0 BDABRO CC(C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000096268806 385917920 /nfs/dbraw/zinc/91/79/20/385917920.db2.gz LZTILEGDGLJYTD-LBPRGKRZSA-N 1 0 210.321 1.245 40 0 BDABRO c1ncc([C@@H]2COC3(C2)CC[NH2+]CC3)cn1 ZINC000306133398 385992295 /nfs/dbraw/zinc/99/22/95/385992295.db2.gz MKHBKVVOZRNMFA-JTQLQIEISA-N 1 0 219.288 1.103 40 0 BDABRO C[C@@H]1[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]12 ZINC000261508761 386028969 /nfs/dbraw/zinc/02/89/69/386028969.db2.gz WQOAVSYOMGNWAT-IVZWLZJFSA-N 1 0 226.320 1.604 40 0 BDABRO CC[C@@H](C)[C@H]([NH3+])CN(C)CCc1ccncc1 ZINC000039794733 386158366 /nfs/dbraw/zinc/15/83/66/386158366.db2.gz MSXXWKCWHXGNDA-TZMCWYRMSA-N 1 0 235.375 1.929 40 0 BDABRO COCCn1cccc1C[NH+]1CCCC1 ZINC000225309133 386185509 /nfs/dbraw/zinc/18/55/09/386185509.db2.gz ZEIQBXKIYBJWAM-UHFFFAOYSA-N 1 0 208.305 1.730 40 0 BDABRO CCn1c2ccccc2c(=O)c2c1CC[NH2+]C2 ZINC000328579371 386526621 /nfs/dbraw/zinc/52/66/21/386526621.db2.gz CXXFHKBDRNZTFQ-UHFFFAOYSA-N 1 0 228.295 1.667 40 0 BDABRO c1nnc([C@H]2CCC[NH2+]C2)n1CC1CC1 ZINC000328579457 386527963 /nfs/dbraw/zinc/52/79/63/386527963.db2.gz JQKQRWUYDNPETG-JTQLQIEISA-N 1 0 206.293 1.155 40 0 BDABRO O=C1c2ccc(F)cc2CN1[C@H]1CCC[NH2+]C1 ZINC000098213939 386581655 /nfs/dbraw/zinc/58/16/55/386581655.db2.gz SHRASXSCNDUODQ-NSHDSACASA-N 1 0 234.274 1.534 40 0 BDABRO O=C1c2ccc(F)cc2CN1CC1CC[NH2+]CC1 ZINC000098213934 386581736 /nfs/dbraw/zinc/58/17/36/386581736.db2.gz BTGHOYKDYNCNFR-UHFFFAOYSA-N 1 0 248.301 1.781 40 0 BDABRO [NH3+]Cc1ccc2nnc(-c3ccccc3)n2c1 ZINC000098214133 386582554 /nfs/dbraw/zinc/58/25/54/386582554.db2.gz JZFDKWULOPSUPV-UHFFFAOYSA-N 1 0 224.267 1.855 40 0 BDABRO [NH3+]Cc1ccc2nnc(-c3ccc(F)cc3)n2c1 ZINC000098214130 386583039 /nfs/dbraw/zinc/58/30/39/386583039.db2.gz YOIQZWVUAKRHHH-UHFFFAOYSA-N 1 0 242.257 1.994 40 0 BDABRO C[N@@H+]1C[C@@H](CO)[C@@H](c2cccc(F)c2)C1 ZINC000225608997 386673665 /nfs/dbraw/zinc/67/36/65/386673665.db2.gz PMTYDJRHJNLFNW-CMPLNLGQSA-N 1 0 209.264 1.463 40 0 BDABRO CC(C)n1ncc2c1C[C@@H](C(N)=[NH2+])CC2 ZINC000575424511 387038233 /nfs/dbraw/zinc/03/82/33/387038233.db2.gz MBDPPARABSFRDV-QMMMGPOBSA-N 1 0 206.293 1.505 40 0 BDABRO CC(C)n1ncc2c1C[C@@H](C(N)=[NH2+])CCC2 ZINC000575425837 387050104 /nfs/dbraw/zinc/05/01/04/387050104.db2.gz XSYXPXXSJQOZME-VIFPVBQESA-N 1 0 220.320 1.895 40 0 BDABRO c1ccn(Cc2noc3c2C[NH2+]CC3)c1 ZINC000096084841 387018791 /nfs/dbraw/zinc/01/87/91/387018791.db2.gz QGFOTJFNTAGWCX-UHFFFAOYSA-N 1 0 203.245 1.170 40 0 BDABRO O=C1N[C@@H](c2ccccc2)C12CC[NH2+]CC2 ZINC000096244715 387024707 /nfs/dbraw/zinc/02/47/07/387024707.db2.gz DZYZDEDCXWQCCP-NSHDSACASA-N 1 0 216.284 1.227 40 0 BDABRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000253603495 387156817 /nfs/dbraw/zinc/15/68/17/387156817.db2.gz GLFBPDDMMVIVQJ-DGCLKSJQSA-N 1 0 204.317 1.713 40 0 BDABRO C[C@H]([C@H](O)c1ccccc1)[N@H+](C)CCO ZINC000016030049 387165427 /nfs/dbraw/zinc/16/54/27/387165427.db2.gz DZUDAROQGILUTD-PWSUYJOCSA-N 1 0 209.289 1.033 40 0 BDABRO O=C(c1ccccc1F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320662 387196663 /nfs/dbraw/zinc/19/66/63/387196663.db2.gz GMEVFVXVOVCGDP-AOOOYVTPSA-N 1 0 234.274 1.117 40 0 BDABRO C1CC(c2nnc([C@@H]3CCC[NH2+]C3)o2)C1 ZINC000083345144 387403671 /nfs/dbraw/zinc/40/36/71/387403671.db2.gz YNSZMOOALAMFBJ-SECBINFHSA-N 1 0 207.277 1.804 40 0 BDABRO C/C=C(/C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000156541691 387478711 /nfs/dbraw/zinc/47/87/11/387478711.db2.gz YSCOJTNVPYCWEG-RJAQEEFZSA-N 1 0 210.321 1.538 40 0 BDABRO [NH3+][C@@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000052709619 387492149 /nfs/dbraw/zinc/49/21/49/387492149.db2.gz YCOGOMUBWVNMLO-SNVBAGLBSA-N 1 0 225.723 1.658 40 0 BDABRO [NH3+][C@@H]1C2CCN(CC2)[C@@H]1Cc1ccccc1 ZINC000138644020 387707601 /nfs/dbraw/zinc/70/76/01/387707601.db2.gz XPPMDYURPXXBHC-ZIAGYGMSSA-N 1 0 216.328 1.651 40 0 BDABRO CCCn1cc(C[NH2+]CCCOCC)cn1 ZINC000116911911 387851839 /nfs/dbraw/zinc/85/18/39/387851839.db2.gz IXZOXMMCFHOMFE-UHFFFAOYSA-N 1 0 225.336 1.809 40 0 BDABRO CC[NH+](CC)CCCNCc1cn(C)nc1C ZINC000125909752 387852139 /nfs/dbraw/zinc/85/21/39/387852139.db2.gz AEZQWIHTGZNWJY-UHFFFAOYSA-N 1 0 238.379 1.550 40 0 BDABRO CC[NH+](CC)CCNCc1cnn(C(C)C)c1 ZINC000226238077 387856810 /nfs/dbraw/zinc/85/68/10/387856810.db2.gz IAKOWAPDBLRROP-UHFFFAOYSA-N 1 0 238.379 1.895 40 0 BDABRO CC(C)Cn1nccc1C[NH2+]CCN(C)C ZINC000256051399 387858185 /nfs/dbraw/zinc/85/81/85/387858185.db2.gz JAJVGVALANZSEI-UHFFFAOYSA-N 1 0 224.352 1.190 40 0 BDABRO CC(C)Cn1nccc1C[NH2+]C[C@H]1CCCO1 ZINC000256051508 387859209 /nfs/dbraw/zinc/85/92/09/387859209.db2.gz JKWSRGIIYATFAA-CYBMUJFWSA-N 1 0 237.347 1.808 40 0 BDABRO CC[NH+](CC)CCNCc1ccnn1C(F)F ZINC000256051654 387859345 /nfs/dbraw/zinc/85/93/45/387859345.db2.gz KAWUBEDEPQOEGY-UHFFFAOYSA-N 1 0 246.305 1.710 40 0 BDABRO CCCn1cc(CNCCC[NH+](C)C)c(C)n1 ZINC000256054743 387862236 /nfs/dbraw/zinc/86/22/36/387862236.db2.gz XOVMLFACAAKSPV-UHFFFAOYSA-N 1 0 238.379 1.643 40 0 BDABRO CC1(COCC[C@@H]2CCCC[NH2+]2)COC1 ZINC000095095629 256641533 /nfs/dbraw/zinc/64/15/33/256641533.db2.gz GLDXBLBMAAIICI-NSHDSACASA-N 1 0 213.321 1.572 40 0 BDABRO CCOCC[N@@H+]1C[C@@H](O)C[C@@H]1CC(C)C ZINC000217886359 388383079 /nfs/dbraw/zinc/38/30/79/388383079.db2.gz CKPGDQNLDMXXFP-RYUDHWBXSA-N 1 0 215.337 1.504 40 0 BDABRO Cc1ccc(S(=O)(=O)[C@@H]2C[C@H]2C[NH3+])cc1 ZINC000217990658 388385025 /nfs/dbraw/zinc/38/50/25/388385025.db2.gz HIAPVZWFYRGYFA-GXSJLCMTSA-N 1 0 225.313 1.116 40 0 BDABRO c1coc(CN2CC[NH2+][C@@H]3CCCC[C@H]32)c1 ZINC000218828313 388392812 /nfs/dbraw/zinc/39/28/12/388392812.db2.gz IEYUBRTWVMCPLT-CHWSQXEVSA-N 1 0 220.316 1.996 40 0 BDABRO CC(C)[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000242548693 388399409 /nfs/dbraw/zinc/39/94/09/388399409.db2.gz LTOJGMARRMZDEK-SRVKXCTJSA-N 1 0 224.348 1.489 40 0 BDABRO COc1cccc([C@H]2C[N@H+](C)C[C@H]2CO)c1 ZINC000242620198 388400080 /nfs/dbraw/zinc/40/00/80/388400080.db2.gz PXVHDGQRKTXDLF-WCQYABFASA-N 1 0 221.300 1.333 40 0 BDABRO [NH3+]CCc1c(F)c(F)c(F)c(F)c1F ZINC000034619704 388610611 /nfs/dbraw/zinc/61/06/11/388610611.db2.gz ZUMQWHFKAXDURB-UHFFFAOYSA-N 1 0 211.133 1.883 40 0 BDABRO F[C@@H]1CC[NH2+]C[C@@]12CCN(Cc1ccco1)C2 ZINC000107244621 388615886 /nfs/dbraw/zinc/61/58/86/388615886.db2.gz MQMYWDNJWFITHN-CHWSQXEVSA-N 1 0 238.306 1.803 40 0 BDABRO COC[C@H]1C[NH2+]Cc2cn(CC3CCCC3)nc21 ZINC000107492390 388616729 /nfs/dbraw/zinc/61/67/29/388616729.db2.gz SJZVCVDONMXWEM-CYBMUJFWSA-N 1 0 249.358 1.907 40 0 BDABRO CCOC[C@H]1C[NH2+]Cc2cn(CC3CC3)nc21 ZINC000107491096 388616738 /nfs/dbraw/zinc/61/67/38/388616738.db2.gz IDTGVFZUBURNPN-GFCCVEGCSA-N 1 0 235.331 1.516 40 0 BDABRO CCO[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000062711917 388655056 /nfs/dbraw/zinc/65/50/56/388655056.db2.gz IVOIHIYKZJBGGG-NSHDSACASA-N 1 0 213.252 1.871 40 0 BDABRO Cc1cc(N2CCC(O)CC2)nc(NC2CC2)[nH+]1 ZINC000079438716 388695665 /nfs/dbraw/zinc/69/56/65/388695665.db2.gz JSBPCBUSZWEUOJ-UHFFFAOYSA-N 1 0 248.330 1.320 40 0 BDABRO C[NH2+][C@H](C)Cc1ccc2c(c1)OCCO2 ZINC000011596830 388707537 /nfs/dbraw/zinc/70/75/37/388707537.db2.gz UJKWLAZYSLJTKA-SECBINFHSA-N 1 0 207.273 1.608 40 0 in-vitro BDABRO C[C@H]([NH3+])c1nc(-c2ccccc2O)n[nH]1 ZINC000095534640 388779373 /nfs/dbraw/zinc/77/93/73/388779373.db2.gz RXQSCZPBTOSKDR-LURJTMIESA-N 1 0 204.233 1.197 40 0 BDABRO [NH3+]C1CCN(c2ncnc3c2CCCC3)CC1 ZINC000094871356 388824266 /nfs/dbraw/zinc/82/42/66/388824266.db2.gz UQTPAOHABWPIET-UHFFFAOYSA-N 1 0 232.331 1.283 40 0 BDABRO FC(F)(F)CN1CC[NH2+][C@H]2CCC[C@@H]21 ZINC000225717276 388841375 /nfs/dbraw/zinc/84/13/75/388841375.db2.gz UMQQIUAWJQDGNR-YUMQZZPRSA-N 1 0 208.227 1.375 40 0 BDABRO C[NH+]1CCN(c2ccc(-n3cnnc3)cc2)CC1 ZINC000057332391 132300852 /nfs/dbraw/zinc/30/08/52/132300852.db2.gz UZVXLADVJACHNX-UHFFFAOYSA-N 1 0 243.314 1.019 40 0 BDABRO CC(C)[C@@H]([NH3+])CN1CCN(c2ccccn2)CC1 ZINC000020072941 132329385 /nfs/dbraw/zinc/32/93/85/132329385.db2.gz GPRLHELWVUBCQL-ZDUSSCGKSA-N 1 0 248.374 1.187 40 0 BDABRO COC(=O)c1cccc(N2CC[NH2+]C[C@@H]2C)c1 ZINC000039952483 132346898 /nfs/dbraw/zinc/34/68/98/132346898.db2.gz PXFHTEAJPZCKCT-JTQLQIEISA-N 1 0 234.299 1.271 40 0 BDABRO O=C(Nc1cccc(O)c1)[C@H]1CCCCC[NH2+]1 ZINC000080998209 135385369 /nfs/dbraw/zinc/38/53/69/135385369.db2.gz WMRIJAGHIALTKF-GFCCVEGCSA-N 1 0 234.299 1.863 40 0 BDABRO c1ccc(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)cc1 ZINC000101186274 398035895 /nfs/dbraw/zinc/03/58/95/398035895.db2.gz STDVRIRGBVBCJE-WCQYABFASA-N 1 0 218.300 1.112 40 0 BDABRO CC(C)OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000006468372 167262068 /nfs/dbraw/zinc/26/20/68/167262068.db2.gz UNQYRDSDDCNSAO-XQQFMLRXSA-N 1 0 229.364 1.750 40 0 BDABRO Brc1cccc(N[C@@H]2CC[NH2+]C2)n1 ZINC000072203690 166100802 /nfs/dbraw/zinc/10/08/02/166100802.db2.gz SQSAORFSFWGGQT-SSDOTTSWSA-N 1 0 242.120 1.618 40 0 BDABRO CC(C)(C)[NH2+]CC(=O)c1cc(O)cc(O)c1 ZINC000022057744 166630359 /nfs/dbraw/zinc/63/03/59/166630359.db2.gz YRQVMOOPIMHYOQ-UHFFFAOYSA-N 1 0 223.272 1.669 40 0 in-vitro BDABRO CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]2(C[NH3+])CC1 ZINC000261508963 166654824 /nfs/dbraw/zinc/65/48/24/166654824.db2.gz YRHNMYALVMKKRW-GXFFZTMASA-N 1 0 240.347 1.982 40 0 BDABRO CC(C)[N@@H+]1CC[C@H](c2[nH]nc3nccnc32)C1 ZINC000072381392 167027643 /nfs/dbraw/zinc/02/76/43/167027643.db2.gz ITCWULGIHDESGC-VIFPVBQESA-N 1 0 231.303 1.551 40 0 BDABRO CC(C)OCc1nn(CC2CC2)c2c1C[NH2+]CC2 ZINC000306131927 167270744 /nfs/dbraw/zinc/27/07/44/167270744.db2.gz KTHHMWCUKNZWAA-UHFFFAOYSA-N 1 0 249.358 1.864 40 0 BDABRO CC(C)O[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000062711782 167280455 /nfs/dbraw/zinc/28/04/55/167280455.db2.gz QMQPWQOBJDKJJU-ZDUSSCGKSA-N 1 0 237.299 1.883 40 0 BDABRO CC(C)O[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000062711755 167282624 /nfs/dbraw/zinc/28/26/24/167282624.db2.gz WGKMPCJQVGUFAR-GFCCVEGCSA-N 1 0 223.272 1.840 40 0 BDABRO COC(=O)c1csc(C23CC([NH3+])(C2)C3)n1 ZINC000258818586 411503803 /nfs/dbraw/zinc/50/38/03/411503803.db2.gz CFYFWXYCDAFFJS-UHFFFAOYSA-N 1 0 224.285 1.063 40 0 BDABRO CC[N@H+]1C[C@H]2CN(Cc3ccoc3)C[C@@H](C1)O2 ZINC000096252588 170040907 /nfs/dbraw/zinc/04/09/07/170040907.db2.gz HETNGLLXJJUSJH-BETUJISGSA-N 1 0 236.315 1.185 40 0 BDABRO CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000072194491 170119694 /nfs/dbraw/zinc/11/96/94/170119694.db2.gz RHBLYRZKJZDLQL-JTQLQIEISA-N 1 0 228.336 1.853 40 0 BDABRO CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000072194492 170122440 /nfs/dbraw/zinc/12/24/40/170122440.db2.gz RHBLYRZKJZDLQL-SNVBAGLBSA-N 1 0 228.336 1.853 40 0 BDABRO CCOC(=O)CC[NH2+]CCc1ccc(F)cc1 ZINC000036667524 170209599 /nfs/dbraw/zinc/20/95/99/170209599.db2.gz INFAKQKAKQOCMN-UHFFFAOYSA-N 1 0 239.290 1.911 40 0 BDABRO CCOC(=O)C[C@@H]([NH3+])c1ccc(O)cc1 ZINC000000372193 170231061 /nfs/dbraw/zinc/23/10/61/170231061.db2.gz ZOXRAHKFGDRAOV-SNVBAGLBSA-N 1 0 209.245 1.345 40 0 BDABRO CCOC(=O)[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000001710342 170279066 /nfs/dbraw/zinc/27/90/66/170279066.db2.gz GQEDVMVEVIKYGN-ONGXEEELSA-N 1 0 207.273 1.681 40 0 BDABRO CCOCC[N@@H+]1C[C@H](O)C[C@@H]1C(C)C ZINC000217883841 170403264 /nfs/dbraw/zinc/40/32/64/170403264.db2.gz SYFIHBZJMLYIOZ-GHMZBOCLSA-N 1 0 201.310 1.114 40 0 BDABRO CC[C@@H]1[NH2+]CCc2cc(O)c(OC)cc21 ZINC000003847425 171150652 /nfs/dbraw/zinc/15/06/52/171150652.db2.gz NLJYBPCZRDGIQW-JTQLQIEISA-N 1 0 207.273 1.998 40 0 BDABRO CC[C@H](C)Nc1nc(NC)cc(C2CC2)[nH+]1 ZINC000329013987 171321081 /nfs/dbraw/zinc/32/10/81/171321081.db2.gz MTDPIXLPZJWNMA-QMMMGPOBSA-N 1 0 220.320 1.450 40 0 BDABRO CC[C@H](C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000019434714 171327290 /nfs/dbraw/zinc/32/72/90/171327290.db2.gz YIKLYLZBWHRKCS-CMPLNLGQSA-N 1 0 220.316 1.991 40 0 BDABRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCCCC1 ZINC000013529436 171394661 /nfs/dbraw/zinc/39/46/61/171394661.db2.gz YRLGNCQASLTTNG-QWRGUYRKSA-N 1 0 212.337 1.762 40 0 BDABRO CN(C(=O)c1cccs1)C1CC[NH2+]CC1 ZINC000036282874 172344128 /nfs/dbraw/zinc/34/41/28/172344128.db2.gz KHSPRTAUQLXIGX-UHFFFAOYSA-N 1 0 224.329 1.572 40 0 BDABRO C[NH+]1CCC(c2ccnc(NCCO)c2)CC1 ZINC000072386578 173002172 /nfs/dbraw/zinc/00/21/72/173002172.db2.gz BJOLFKPUYXFBOH-UHFFFAOYSA-N 1 0 235.331 1.295 40 0 BDABRO C[N@@H+]1CCCN(C(=O)Nc2ccccc2)CC1 ZINC000016189038 173013008 /nfs/dbraw/zinc/01/30/08/173013008.db2.gz PAZQWNVLPLDOFA-UHFFFAOYSA-N 1 0 233.315 1.856 40 0 BDABRO CN1CN(c2ccccc2)C2(CC[NH2+]CC2)C1=O ZINC000001707760 173179730 /nfs/dbraw/zinc/17/97/30/173179730.db2.gz IGPACMIJADAUNA-UHFFFAOYSA-N 1 0 245.326 1.045 40 0 BDABRO C[N@H+]1[C@@H]2CC[C@H]1CC(N)(C(F)(F)F)C2 ZINC000082670857 173207299 /nfs/dbraw/zinc/20/72/99/173207299.db2.gz IUBSYSDDJKSNDV-DHBOJHSNSA-N 1 0 208.227 1.503 40 0 BDABRO C[NH2+]C[C@@H](OC)c1ccc2c(c1)OCO2 ZINC000062711421 173367014 /nfs/dbraw/zinc/36/70/14/173367014.db2.gz JXHXORIOHDNMIB-LLVKDONJSA-N 1 0 209.245 1.322 40 0 BDABRO C[NH2+]C[C@H](O)c1ncccc1Br ZINC000083329099 173377598 /nfs/dbraw/zinc/37/75/98/173377598.db2.gz SQXPQRXMHBEMEF-ZETCQYMHSA-N 1 0 231.093 1.097 40 0 BDABRO C[NH2+][C@H]1CC[C@H](Cc2cnccn2)CC1 ZINC000257242412 173438383 /nfs/dbraw/zinc/43/83/83/173438383.db2.gz ICIQQTLQQDBNPI-XYPYZODXSA-N 1 0 205.305 1.797 40 0 BDABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000002386740 173823170 /nfs/dbraw/zinc/82/31/70/173823170.db2.gz SLESECKAUTVEET-ZJUUUORDSA-N 1 0 239.702 1.816 40 0 BDABRO COCC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005743031 174061953 /nfs/dbraw/zinc/06/19/53/174061953.db2.gz HFNRVGNQFRTRRF-NWDGAFQWSA-N 1 0 241.331 1.441 40 0 BDABRO COCCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000062623214 174124891 /nfs/dbraw/zinc/12/48/91/174124891.db2.gz PSOCMHQCWRMGNS-ZDUSSCGKSA-N 1 0 248.326 1.196 40 0 BDABRO COCC[N@@H+]1CC[C@@H](O)[C@@H]2CCCC[C@@H]21 ZINC000015319274 174313256 /nfs/dbraw/zinc/31/32/56/174313256.db2.gz AHGSGJBYLULRAA-GRYCIOLGSA-N 1 0 213.321 1.258 40 0 BDABRO COCC[NH2+]Cc1cccc(OC)c1OC ZINC000016194397 174336043 /nfs/dbraw/zinc/33/60/43/174336043.db2.gz FTKZYTNHNUDBPT-UHFFFAOYSA-N 1 0 225.288 1.440 40 0 BDABRO COc1cc2c(c(OC)c1OC)C[NH2+]CC2 ZINC000003651054 175020689 /nfs/dbraw/zinc/02/06/89/175020689.db2.gz GOBKARNYNSWQFZ-UHFFFAOYSA-N 1 0 223.272 1.358 40 0 BDABRO COc1cc2c(cc1O)CC[N@H+](C)[C@H]2C ZINC000002005066 175023322 /nfs/dbraw/zinc/02/33/22/175023322.db2.gz BQWXVEGUQMSXOH-QMMMGPOBSA-N 1 0 207.273 1.950 40 0 BDABRO COc1ccc(-c2ccc(NN)[nH+]n2)cc1OC ZINC000050194219 175034190 /nfs/dbraw/zinc/03/41/90/175034190.db2.gz MPRQKHXNPSJHOE-UHFFFAOYSA-N 1 0 246.270 1.446 40 0 BDABRO COc1ccc(-c2ccn(CC[NH3+])n2)cc1 ZINC000072206337 175034997 /nfs/dbraw/zinc/03/49/97/175034997.db2.gz HVHMMUVGXOVRMW-UHFFFAOYSA-N 1 0 217.272 1.517 40 0 BDABRO COc1ccc(Br)cc1[C@@H](O)C[NH3+] ZINC000036894215 175050980 /nfs/dbraw/zinc/05/09/80/175050980.db2.gz USRLAEMRMIFVSC-QMMMGPOBSA-N 1 0 246.104 1.450 40 0 BDABRO COc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000062617023 175057304 /nfs/dbraw/zinc/05/73/04/175057304.db2.gz IRPFQZBRAVUSCK-SNVBAGLBSA-N 1 0 234.299 1.129 40 0 BDABRO COc1ccc(CN2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000096523545 175099899 /nfs/dbraw/zinc/09/98/99/175099899.db2.gz KISPTFPFIAPUTP-ZDUSSCGKSA-N 1 0 234.343 1.927 40 0 BDABRO COc1ccc(CN2CCC[C@H]([NH3+])C2)cc1C ZINC000038539698 175100250 /nfs/dbraw/zinc/10/02/50/175100250.db2.gz INHCQUCRPMSGEX-ZDUSSCGKSA-N 1 0 234.343 1.927 40 0 BDABRO COc1ccc(CN2CC[NH2+][C@H](C)C2)cc1 ZINC000071522555 175101315 /nfs/dbraw/zinc/10/13/15/175101315.db2.gz RCSFCAZDZFHPPE-LLVKDONJSA-N 1 0 220.316 1.489 40 0 BDABRO COc1ccc([C@H](O)CC[NH3+])cc1OC ZINC000019674816 175193499 /nfs/dbraw/zinc/19/34/99/175193499.db2.gz DMCQSQHOGOFFDM-SECBINFHSA-N 1 0 211.261 1.086 40 0 BDABRO COc1ccc2c(c1)C[N@@H+](C)C[C@@H]2OC ZINC000095470380 175209348 /nfs/dbraw/zinc/20/93/48/175209348.db2.gz MVTIPZXVPRJMOO-LBPRGKRZSA-N 1 0 207.273 1.828 40 0 BDABRO COc1ccc2c(c1)OC1(CC[NH2+]CC1)C[C@H]2O ZINC000036141270 175212422 /nfs/dbraw/zinc/21/24/22/175212422.db2.gz DSFFPTRTIYVQEF-GFCCVEGCSA-N 1 0 249.310 1.633 40 0 BDABRO COc1ccc2[nH]c([C@H]3CC[N@H+](C)C3)nc2c1 ZINC000035446763 175229845 /nfs/dbraw/zinc/22/98/45/175229845.db2.gz AECUODKPXWOSJG-VIFPVBQESA-N 1 0 231.299 1.991 40 0 biogenic,in-vitro BDABRO COc1cccc(CCCN2CCC[NH2+]CC2)c1 ZINC000041301836 175251480 /nfs/dbraw/zinc/25/14/80/175251480.db2.gz MSOIRQXKEDQAJH-UHFFFAOYSA-N 1 0 248.370 1.923 40 0 BDABRO COc1cccc([C@@H](CO)[NH+]2CCCC2)c1 ZINC000041237236 175287472 /nfs/dbraw/zinc/28/74/72/175287472.db2.gz IPBXPAGIKYBIOX-CYBMUJFWSA-N 1 0 221.300 1.824 40 0 BDABRO COc1ccccc1CN1CCC[C@H]([NH3+])C1 ZINC000031993147 175327697 /nfs/dbraw/zinc/32/76/97/175327697.db2.gz XPVNDSRDSMMTNO-LBPRGKRZSA-N 1 0 220.316 1.618 40 0 BDABRO COc1ccccc1N[C@H]1CCC[C@@H]1[NH3+] ZINC000218875834 175338905 /nfs/dbraw/zinc/33/89/05/175338905.db2.gz UKTIJZJXZYPQDB-UWVGGRQHSA-N 1 0 206.289 1.987 40 0 BDABRO COc1ccccc1OC[C@H]1C[NH2+]CCO1 ZINC000011587412 175341953 /nfs/dbraw/zinc/34/19/53/175341953.db2.gz CHUROPRTMCQLIS-SNVBAGLBSA-N 1 0 223.272 1.062 40 0 BDABRO COc1ccccc1[C@H]1CCCN1CC[NH3+] ZINC000032553273 175354332 /nfs/dbraw/zinc/35/43/32/175354332.db2.gz GSHJKQGKUVWUDF-GFCCVEGCSA-N 1 0 220.316 1.791 40 0 BDABRO COc1cccnc1NC1CC[NH2+]CC1 ZINC000096029492 175357182 /nfs/dbraw/zinc/35/71/82/175357182.db2.gz MTPQBHIOUHTRSF-UHFFFAOYSA-N 1 0 207.277 1.254 40 0 BDABRO C[C@@H]([NH3+])CCNC(=O)OCc1ccccc1 ZINC000039952291 175804797 /nfs/dbraw/zinc/80/47/97/175804797.db2.gz BCEXTNLECRJBLD-SNVBAGLBSA-N 1 0 222.288 1.650 40 0 BDABRO C[C@@H]1CN(c2nc3ccccc3o2)CC[NH2+]1 ZINC000052783538 176320739 /nfs/dbraw/zinc/32/07/39/176320739.db2.gz FVBZBZHIBVATEE-SECBINFHSA-N 1 0 217.272 1.626 40 0 BDABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccoc1 ZINC000072397538 176323018 /nfs/dbraw/zinc/32/30/18/176323018.db2.gz MRBHYZJKKSJHFW-DGCLKSJQSA-N 1 0 220.316 1.948 40 0 BDABRO C[C@H]([C@H]([NH3+])c1cccc(Cl)c1)S(C)(=O)=O ZINC000096524768 177030560 /nfs/dbraw/zinc/03/05/60/177030560.db2.gz PXXNSOTWTKWDKJ-XCBNKYQSSA-N 1 0 247.747 1.773 40 0 BDABRO C[C@H]1CN(Cc2ccc(Cl)nc2)CC[NH2+]1 ZINC000072203497 177262347 /nfs/dbraw/zinc/26/23/47/177262347.db2.gz DLCAHJZDDIAUSV-VIFPVBQESA-N 1 0 225.723 1.529 40 0 BDABRO C[C@H]1C[NH2+]CCN1Cc1ccc2c(c1)OCO2 ZINC000041263078 177284568 /nfs/dbraw/zinc/28/45/68/177284568.db2.gz JPIRNFSXDKTULB-JTQLQIEISA-N 1 0 234.299 1.209 40 0 BDABRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccccc1 ZINC000023473332 177285868 /nfs/dbraw/zinc/28/58/68/177285868.db2.gz BNPHYNQCHNBJEL-TXEJJXNPSA-N 1 0 204.317 1.869 40 0 BDABRO C[C@H]1C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000084237616 177286338 /nfs/dbraw/zinc/28/63/38/177286338.db2.gz WIBUZVNGCRFGHO-NXEZZACHSA-N 1 0 228.336 1.757 40 0 BDABRO C[C@H]1[C@@H]([NH3+])C(=O)N1c1ccc(Cl)cc1 ZINC000225776353 525086473 /nfs/dbraw/zinc/08/64/73/525086473.db2.gz AJYLZROFYYOHFL-IMTBSYHQSA-N 1 0 210.664 1.402 40 0 BDABRO O=C1O[C@]2(CC[NH2+]C2)CN1c1ccccc1 ZINC000140853570 487533632 /nfs/dbraw/zinc/53/36/32/487533632.db2.gz AEEZWDXGGCTFOH-LBPRGKRZSA-N 1 0 218.256 1.375 40 0 BDABRO CC(C)[N@H+](CC(=O)[O-])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000248043399 519637934 /nfs/dbraw/zinc/63/79/34/519637934.db2.gz VWXPKAUYGWEATB-HAQNSBGRSA-N 1 0 242.363 1.654 40 0 BDABRO COCCn1cc([C@@H]2CCCC[NH2+]2)cn1 ZINC000225775381 522115041 /nfs/dbraw/zinc/11/50/41/522115041.db2.gz QMKPZQRZHQXWAM-NSHDSACASA-N 1 0 209.293 1.344 40 0 BDABRO CC(C)c1nccc(N2CC[NH2+]CC2)n1 ZINC000071491407 534909741 /nfs/dbraw/zinc/90/97/41/534909741.db2.gz TZYJPNYWVRVCLM-UHFFFAOYSA-N 1 0 206.293 1.010 40 0 BDABRO O=C(c1ccsc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085282386 526863313 /nfs/dbraw/zinc/86/33/13/526863313.db2.gz NLZZZCNEHWENFE-UWVGGRQHSA-N 1 0 222.313 1.040 40 0 BDABRO Cn1cc(Cc2ccccc2F)[nH+]c1N ZINC000199550751 527236148 /nfs/dbraw/zinc/23/61/48/527236148.db2.gz CTWQPUIXCAQXDX-UHFFFAOYSA-N 1 0 205.236 1.732 40 0 BDABRO